diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 04d7f42a69ff22c0b3f82aa43e88e19d91d80d7f..59b7beb8b53b6d8e0d9e698e00201e8458c7a482 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -1,6 +1,6 @@
-default:
- tags: [ public-docker ]
- image: $CI_REGISTRY/easybuild-docker/easybuild-docker/rocky8-eb-test:latest
+stages:
+ - test
+ - deploy
workflow:
rules:
@@ -14,7 +14,12 @@ workflow:
TARGET_BRANCH: '2023'
check_style:
+ stage: test
+ tags: [ public-docker ]
+ image: $CI_REGISTRY/easybuild-docker/easybuild-docker/rocky8-eb-test:latest
script:
+ - git config --global --add safe.directory $CI_PROJECT_DIR
+ - ml purge && ml EasyBuild # to load latest EasyBuild dev version
- ml --version && which -a eb && eb --version && eb --show-system-info
- export SYSTEMNAME="juwelsbooster" # Make this the default for packages like NVHPC
- export EASYBUILD_INCLUDE_EASYBLOCKS="$CI_PROJECT_DIR/Custom_EasyBlocks/*.py,$CI_PROJECT_DIR/Custom_EasyBlocks/generic/*.py"
@@ -66,7 +71,11 @@ check_style:
full_check_style:
when: manual
+ stage: test
+ tags: [ public-docker ]
+ image: $CI_REGISTRY/easybuild-docker/easybuild-docker/rocky8-eb-test:latest
script:
+ - ml purge && ml EasyBuild # to load latest EasyBuild dev version
- export SYSTEMNAME="juwelsbooster" # Make this the default for packages like NVHPC
- export EASYBUILD_INCLUDE_EASYBLOCKS="$CI_PROJECT_DIR/Custom_EasyBlocks/*.py,$CI_PROJECT_DIR/Custom_EasyBlocks/generic/*.py"
- export EASYBUILD_INCLUDE_MODULE_NAMING_SCHEMES="$CI_PROJECT_DIR/Custom_MNS/*.py"
@@ -104,3 +113,73 @@ full_check_style:
- fi
- done
- if [ -n "$faulty" ]; then echo "Faulty EasyConfigs... $faulty"; exit 1; fi
+
+sync_repo_on_HPC:
+ stage: deploy
+ tags:
+ - jacamar
+ - shell
+ script:
+ - cd /p/fastdata/zam/swmanage/EasyBuild/$TARGET_BRANCH
+ - hostname
+ - echo 'Pulling branch '$TARGET_BRANCH
+ - git pull https://$GITLAB_USER:$GITLAB_TOKEN@gitlab.jsc.fz-juelich.de/software-team/easybuild.git $TARGET_BRANCH
+ rules:
+ - if: '$CI_PROJECT_NAMESPACE == "software-team" && $CI_COMMIT_BRANCH == $TARGET_BRANCH'
+
+update_acls:
+ stage: deploy
+ parallel:
+ matrix:
+ - SYSTEM:
+ - juwels
+ - juwels_booster
+ - jurecadc
+ - jusuf
+ - hdfml
+ tags:
+ - jacamar
+ - ${SYSTEM}
+ - shell
+ needs: ['sync_repo_on_HPC']
+ script:
+ - hostname
+ - ml Stages/$TARGET_BRANCH
+ - pushd /p/fastdata/zam/swmanage/EasyBuild/$STAGE/bin
+ - ./setacls -c ../acls.yml --force -m
+ rules:
+ - if: '$CI_PROJECT_NAMESPACE == "software-team" && $CI_COMMIT_BRANCH == $TARGET_BRANCH'
+ changes:
+ - 'acls.yml'
+
+push_public_mirror:
+ stage: deploy
+ tags:
+ - jacamar
+ - juwels_booster
+ - shell
+ needs: ['sync_repo_on_HPC']
+ script:
+ - hostname
+ - ml Stages/$TARGET_BRANCH
+ - cd /p/project/cswmanage/easybuilders-JSC/$TARGET_BRANCH
+ - git pull
+ - ./filter.sh
+ - git add -A
+ - git commit -a -m "Sync"
+ - git push https://$GITHUB_USER:$GITHUB_TOKEN@github.com/easybuilders/JSC.git
+ rules:
+ - if: '$CI_PROJECT_NAMESPACE == "software-team" && $CI_COMMIT_BRANCH == $TARGET_BRANCH'
+ when: manual
+
+pull_public_mirror:
+ stage: deploy
+ tags:
+ - jacamar
+ - shell
+ script:
+ - hostname
+ - cd /p/usersoftware/swmanage/user_installations/$TARGET_BRANCH/
+ - git pull
+ rules:
+ - if: '$CI_PROJECT_NAMESPACE == "software-team" && $CI_COMMIT_BRANCH == $TARGET_BRANCH'
diff --git a/Custom_EasyBlocks/cp2k.py b/Custom_EasyBlocks/cp2k.py
index f2901e2f18590d898c1bbdcfa110aac9ce597404..e37865712693e1f2ff462fa5f875ed4042c5ac07 100644
--- a/Custom_EasyBlocks/cp2k.py
+++ b/Custom_EasyBlocks/cp2k.py
@@ -106,6 +106,7 @@ class EB_CP2K(EasyBlock):
'typeopt': [True, "Enable optimization", CUSTOM],
'dbcsr_version': ['2.0.1',"DBCSR version used",CUSTOM],
'libvori_version': ['-210412',"libvori version used",CUSTOM],
+ 'spglib_version': ['1.16.2',"spglib version used",CUSTOM],
}
return EasyBlock.extra_options(extra_vars)
@@ -133,15 +134,18 @@ class EB_CP2K(EasyBlock):
cpstringb="cp -r %s../dbcsr-%s/.cp2k %sexts/dbcsr/" %(self.cfg['start_dir'],self.cfg['dbcsr_version'],self.cfg['start_dir'])
vorbis="cd %s../libvori%s/ && mkdir build && cd build && cmake .. && gmake && cp libvori.a %s/ " %(self.cfg['start_dir'],self.cfg['libvori_version'], self.cfg['start_dir'])
+ spglib="cd %s../spglib-%s/ && mkdir build && cd build && cmake .. && gmake && cp libsymspg.* %s/ " %(self.cfg['start_dir'],self.cfg['spglib_version'],self.cfg['start_dir'])
# run_cmd(cpstring)
self.log.info(cpstring)
# self.log.info(cpstringb)
self.log.info(vorbis)
+ self.log.info(spglib)
os.system(cpstring)
if self.cfg['dbcsr_version'] == '2.1.0':
os.system(cpstringb)
os.system(vorbis)
+ os.system(spglib)
# correct start dir, if needed
# recent CP2K versions have a 'cp2k' dir in the unpacked 'cp2k' dir
@@ -260,6 +264,8 @@ class EB_CP2K(EasyBlock):
options['LIBS'] = "-Wl,--start-group %s -Wl,--end-group" % options['LIBS']
options['LIBS'] = "%s %slibvori.a " % (options['LIBS'], self.cfg['start_dir'])
+ # spglib
+ options['LIBS'] = "%s %slibsymspg.a " % (options['LIBS'], self.cfg['start_dir'])
# specify correct location for 'data' directory in final installation
options['DATA_DIR'] = os.path.join(self.installdir, 'data')
diff --git a/Custom_EasyBlocks/hypre.py b/Custom_EasyBlocks/hypre.py
new file mode 100644
index 0000000000000000000000000000000000000000..9ec0f109db8b8f6240c25c49afc5690202a31b22
--- /dev/null
+++ b/Custom_EasyBlocks/hypre.py
@@ -0,0 +1,116 @@
+##
+# Copyright 2009-2022 Ghent University
+#
+# This file is part of EasyBuild,
+# originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),
+# with support of Ghent University (http://ugent.be/hpc),
+# the Flemish Supercomputer Centre (VSC) (https://www.vscentrum.be),
+# Flemish Research Foundation (FWO) (http://www.fwo.be/en)
+# and the Department of Economy, Science and Innovation (EWI) (http://www.ewi-vlaanderen.be/en).
+#
+# https://github.com/easybuilders/easybuild
+#
+# EasyBuild is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation v2.
+#
+# EasyBuild is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with EasyBuild. If not, see <http://www.gnu.org/licenses/>.
+##
+"""
+EasyBuild support for Hypre, implemented as an easyblock
+@author: Kenneth Hoste (Ghent University)
+@author: Mikael OEhman (Chalmers University of Technology)
+@author: Alex Domingo (Vrije Universiteit Brussel)
+@author: Simon Branford (University of Birmingham)
+"""
+import os
+
+from easybuild.easyblocks.generic.configuremake import ConfigureMake
+from easybuild.tools.build_log import EasyBuildError
+from easybuild.tools.config import build_option
+from easybuild.tools.modules import get_software_root
+from easybuild.tools.systemtools import get_shared_lib_ext
+from easybuild.framework.easyconfig import CUSTOM
+from easybuild.framework.easyblock import EasyBlock
+
+class EB_Hypre(ConfigureMake):
+ """Support for building Hypre."""
+
+ @staticmethod
+ def extra_options():
+ """Add extra easyconfig parameters custom to CHARMM."""
+ extra_vars = {
+ 'disable_cuda': [False, "Force disabling CUDA", CUSTOM]
+ }
+ return EasyBlock.extra_options(extra_vars)
+
+
+ def __init__(self, *args, **kwargs):
+ """Easyblock constructor."""
+
+ super(EB_Hypre, self).__init__(*args, **kwargs)
+
+ self.config_shared = False
+ self.config_static = False
+
+ def configure_step(self):
+ """Configure Hypre build after setting extra configure options."""
+
+ if '--enable-shared' in self.cfg['configopts']:
+ self.config_shared = True
+ ext_libs = 'LIB%s'
+ else:
+ self.config_static = True
+ ext_libs = '%s_STATIC_LIBS'
+
+ # Use BLAS/LAPACK from EB
+ for dep in ["BLAS", "LAPACK"]:
+ blas_libs = ' '.join(os.getenv(ext_libs % dep).split(','))
+ blas_libs = blas_libs.replace('-l', '') # Remove any '-l' as those are prepended for shared builds
+ self.cfg.update('configopts', '--with-%s-libs="%s"' % (dep.lower(), blas_libs))
+ self.cfg.update('configopts', '--with-%s-lib-dirs="%s"' % (dep.lower(),
+ os.getenv('%s_LIB_DIR' % dep)))
+
+ # Use MPI implementation from EB
+ self.cfg.update('configopts', '--with-MPI-include=%s' % os.getenv('MPI_INC_DIR'))
+
+ if (get_software_root('CUDA') and not(self.cfg['disable_cuda'])):
+ self.cfg.update('configopts', '--with-cuda')
+
+ cuda_cc = build_option('cuda_compute_capabilities') or self.cfg['cuda_compute_capabilities']
+ if not cuda_cc:
+ raise EasyBuildError('List of CUDA compute capabilities must be specified, either via '
+ 'cuda_compute_capabilities easyconfig parameter or via '
+ '--cuda-compute-capabilities')
+
+ cuda_cc_string = ' '.join([x.replace('.', '') for x in cuda_cc])
+ self.cfg.update('configopts', '--with-gpu-arch="%s"' % cuda_cc_string)
+ else:
+ self.cfg.update('configopts', '--with-cuda=NO')
+
+
+ super(EB_Hypre, self).configure_step()
+
+ def sanity_check_step(self):
+ """Custom sanity check for Hypre."""
+
+ # Add static and shared libs depending on configopts
+ hypre_libs = list()
+ if self.config_shared:
+ shlib_ext = get_shared_lib_ext()
+ hypre_libs.append(os.path.join('lib', 'libHYPRE.%s' % shlib_ext))
+ if self.config_static:
+ hypre_libs.append(os.path.join('lib', 'libHYPRE.a'))
+
+ custom_paths = {
+ 'files': hypre_libs,
+ 'dirs': ['include']
+ }
+
+ super(EB_Hypre, self).sanity_check_step(custom_paths=custom_paths)
diff --git a/Custom_EasyBlocks/juliapackage.py b/Custom_EasyBlocks/juliapackage.py
index 58cf4cd4b285828e0e936c14f9c31a1806565a50..f0c334623cb0b3bfd1e96f732e90edaa9a406b85 100644
--- a/Custom_EasyBlocks/juliapackage.py
+++ b/Custom_EasyBlocks/juliapackage.py
@@ -147,7 +147,10 @@ class JuliaPackage(ExtensionEasyBlock):
Custom sanity check for Julia packages
"""
#NOTE: we don't use Pkg.status with arguments as only supported for Julia >=v1.1
- cmd = "unset EBJULIA_USER_DEPOT_PATH && unset EBJULIA_ADMIN_DEPOT_PATH && export JULIA_DEPOT_PATH=%s && export JULIA_PROJECT=%s && julia --eval 'using Pkg; Pkg.status()'" % (self.depot, self.projectdir)
+ # if juliaver >= 1.1:
+ cmd = "unset EBJULIA_USER_DEPOT_PATH && unset EBJULIA_ADMIN_DEPOT_PATH && export JULIA_DEPOT_PATH=%s && export JULIA_PROJECT=%s && julia --eval 'using Pkg; Pkg.status(\"%s\")'" % (self.depot, self.projectdir, self.package_name)
+ # else:
+ # cmd = "unset EBJULIA_USER_DEPOT_PATH && unset EBJULIA_ADMIN_DEPOT_PATH && export JULIA_DEPOT_PATH=%s && export JULIA_PROJECT=%s && julia --eval 'using Pkg; Pkg.status()'" % (self.depot, self.projectdir)
cmdttdouterr, _ = run_cmd(cmd, log_all=True, simple=False, regexp=False)
self.log.error("Julia package %s sanity returned %s" % (self.name, cmdttdouterr))
return len(parse_log_for_error(cmdttdouterr, regExp="%s\s+v%s" % (self.package_name, self.version))) != 0
diff --git a/Custom_EasyBlocks/petsc.py b/Custom_EasyBlocks/petsc.py
new file mode 100644
index 0000000000000000000000000000000000000000..e6a38b75cadd5053742febcdbe559ba2105551f1
--- /dev/null
+++ b/Custom_EasyBlocks/petsc.py
@@ -0,0 +1,437 @@
+##
+# Copyright 2009-2023 Ghent University
+#
+# This file is part of EasyBuild,
+# originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),
+# with support of Ghent University (http://ugent.be/hpc),
+# the Flemish Supercomputer Centre (VSC) (https://www.vscentrum.be),
+# Flemish Research Foundation (FWO) (http://www.fwo.be/en)
+# and the Department of Economy, Science and Innovation (EWI) (http://www.ewi-vlaanderen.be/en).
+#
+# https://github.com/easybuilders/easybuild
+#
+# EasyBuild is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation v2.
+#
+# EasyBuild is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with EasyBuild. If not, see <http://www.gnu.org/licenses/>.
+##
+"""
+EasyBuild support for PETSc, implemented as an easyblock
+
+@author: Kenneth Hoste (Ghent University)
+"""
+import os
+import re
+from distutils.version import LooseVersion
+
+import easybuild.tools.environment as env
+import easybuild.tools.toolchain as toolchain
+from easybuild.easyblocks.generic.configuremake import ConfigureMake
+from easybuild.framework.easyconfig import BUILD, CUSTOM
+from easybuild.tools.build_log import EasyBuildError
+from easybuild.tools.filetools import symlink, apply_regex_substitutions
+from easybuild.tools.modules import get_software_root, get_software_version
+from easybuild.tools.run import run_cmd
+from easybuild.tools.systemtools import get_shared_lib_ext
+from easybuild.tools.py2vs3 import string_type
+
+NO_MPI_CXX_EXT_FLAGS = '-DOMPI_SKIP_MPICXX -DMPICH_SKIP_MPICXX'
+
+
+class EB_PETSc(ConfigureMake):
+ """Support for building and installing PETSc"""
+
+ def __init__(self, *args, **kwargs):
+ """Initialize PETSc specific variables."""
+ super(EB_PETSc, self).__init__(*args, **kwargs)
+
+ self.petsc_arch = ""
+ self.petsc_subdir = ""
+ self.prefix_inc = ''
+ self.prefix_lib = ''
+ self.prefix_bin = ''
+
+ self.with_python = False
+
+ if self.cfg['sourceinstall']:
+ self.prefix_inc = self.petsc_subdir
+ self.prefix_lib = os.path.join(self.petsc_subdir, self.petsc_arch)
+ self.build_in_installdir = True
+
+ if LooseVersion(self.version) >= LooseVersion("3.9"):
+ self.prefix_bin = os.path.join(self.prefix_inc, 'lib', 'petsc')
+
+ @staticmethod
+ def extra_options():
+ """Add extra config options specific to PETSc."""
+ extra_vars = {
+ 'sourceinstall': [False, "Indicates whether a source installation should be performed", CUSTOM],
+ 'shared_libs': [False, "Build shared libraries", CUSTOM],
+ 'with_papi': [False, "Enable PAPI support", CUSTOM],
+ 'papi_inc': ['/usr/include', "Path for PAPI include files", CUSTOM],
+ 'papi_lib': ['/usr/lib64/libpapi.so', "Path for PAPI library", CUSTOM],
+ 'runtest': ['test', "Make target to test build", BUILD],
+ 'test_parallel': [
+ None,
+ "Number of parallel PETSc tests launched. If unset, 'parallel' will be used",
+ CUSTOM
+ ],
+ 'download_deps_static': [[], "Dependencies that should be downloaded and installed static", CUSTOM],
+ 'download_deps_shared': [[], "Dependencies that should be downloaded and installed shared", CUSTOM],
+ 'download_deps': [[], "Dependencies that should be downloaded and installed", CUSTOM]
+ }
+ return ConfigureMake.extra_options(extra_vars)
+
+ def prepare_step(self, *args, **kwargs):
+ """Prepare build environment."""
+
+ super(EB_PETSc, self).prepare_step(*args, **kwargs)
+
+ # build with Python support if Python is loaded as a non-build (runtime) dependency
+ build_deps = self.cfg.dependencies(build_only=True)
+ if get_software_root('Python') and not any(x['name'] == 'Python' for x in build_deps):
+ self.with_python = True
+ self.log.info("Python included as runtime dependency, so enabling Python support")
+
+ def configure_step(self):
+ """
+ Configure PETSc by setting configure options and running configure script.
+
+ Configure procedure is much more concise for older versions (< v3).
+ """
+ if LooseVersion(self.version) >= LooseVersion("3"):
+ # make the install dir first if we are doing a download install, then keep it for the rest of the way
+ deps = self.cfg["download_deps"] + self.cfg["download_deps_static"] + self.cfg["download_deps_shared"]
+ if deps:
+ self.log.info("Creating the installation directory before the configure.")
+ self.make_installdir()
+ self.cfg["keeppreviousinstall"] = True
+ for dep in set(deps):
+ self.cfg.update('configopts', '--download-%s=1' % dep)
+ for dep in self.cfg["download_deps_static"]:
+ self.cfg.update('configopts', '--download-%s-shared=0' % dep)
+ for dep in self.cfg["download_deps_shared"]:
+ self.cfg.update('configopts', '--download-%s-shared=1' % dep)
+
+ # compilers
+ self.cfg.update('configopts', '--with-cc="%s"' % os.getenv('CC'))
+ self.cfg.update('configopts', '--with-cxx="%s" --with-c++-support' % os.getenv('CXX'))
+ self.cfg.update('configopts', '--with-fc="%s"' % os.getenv('F90'))
+
+ # compiler flags
+ # Don't build with MPI c++ bindings as this leads to a hard dependency
+ # on libmpi and libmpi_cxx even for C code and non-MPI code
+ cxxflags = os.getenv('CXXFLAGS') + ' ' + NO_MPI_CXX_EXT_FLAGS
+ if LooseVersion(self.version) >= LooseVersion("3.5"):
+ self.cfg.update('configopts', '--CFLAGS="%s"' % os.getenv('CFLAGS'))
+ self.cfg.update('configopts', '--CXXFLAGS="%s"' % cxxflags)
+ self.cfg.update('configopts', '--FFLAGS="%s"' % os.getenv('F90FLAGS'))
+ else:
+ self.cfg.update('configopts', '--with-cflags="%s"' % os.getenv('CFLAGS'))
+ self.cfg.update('configopts', '--with-cxxflags="%s"' % cxxflags)
+ self.cfg.update('configopts', '--with-fcflags="%s"' % os.getenv('F90FLAGS'))
+
+ if not self.toolchain.comp_family() == toolchain.GCC: # @UndefinedVariable
+ self.cfg.update('configopts', '--with-gnu-compilers=0')
+
+ # MPI
+ if self.toolchain.options.get('usempi', None):
+ self.cfg.update('configopts', '--with-mpi=1')
+
+ # build options
+ self.cfg.update('configopts', '--with-build-step-np=%s' % self.cfg['parallel'])
+ self.cfg.update('configopts', '--with-shared-libraries=%d' % self.cfg['shared_libs'])
+ self.cfg.update('configopts', '--with-debugging=%d' % self.toolchain.options['debug'])
+ self.cfg.update('configopts', '--with-pic=%d' % self.toolchain.options['pic'])
+ self.cfg.update('configopts', '--with-x=0 --with-windows-graphics=0')
+
+ # PAPI support
+ if self.cfg['with_papi']:
+ papi_inc = self.cfg['papi_inc']
+ papi_inc_file = os.path.join(papi_inc, "papi.h")
+ papi_lib = self.cfg['papi_lib']
+ if os.path.isfile(papi_inc_file) and os.path.isfile(papi_lib):
+ self.cfg.update('configopts', '--with-papi=1')
+ self.cfg.update('configopts', '--with-papi-include=%s' % papi_inc)
+ self.cfg.update('configopts', '--with-papi-lib=%s' % papi_lib)
+ else:
+ raise EasyBuildError("PAPI header (%s) and/or lib (%s) not found, can not enable PAPI support?",
+ papi_inc_file, papi_lib)
+
+ # Python extensions_step
+ if self.with_python:
+
+ # enable numpy support, but only if numpy is available
+ (_, ec) = run_cmd("python -c 'import numpy'", log_all=True, simple=False)
+ if ec == 0:
+ self.cfg.update('configopts', '--with-numpy=1')
+
+ # enable mpi4py support, but only if mpi4py is available
+ (_, ec) = run_cmd("python -c 'import mpi4py'", log_all=True, simple=False)
+ if ec == 0:
+ with_mpi4py_opt = '--with-mpi4py'
+ if self.cfg['shared_libs'] and with_mpi4py_opt not in self.cfg['configopts']:
+ self.cfg.update('configopts', '%s=1' % with_mpi4py_opt)
+
+ # FFTW, ScaLAPACK (and BLACS for older PETSc versions)
+ deps = ["ScaLAPACK"] #FFTW
+ if LooseVersion(self.version) < LooseVersion("3.5"):
+ deps.append("BLACS")
+ for dep in deps:
+ libdir = os.getenv('%s_LIB_DIR' % dep.upper())
+ libs = os.getenv('%s_STATIC_LIBS' % dep.upper())
+ if libdir and libs:
+ with_arg = "--with-%s" % dep.lower()
+ self.cfg.update('configopts', '%s=1' % with_arg)
+ self.cfg.update('configopts', '%s-lib=[%s/%s]' % (with_arg, libdir, libs))
+
+ inc = os.getenv('%s_INC_DIR' % dep.upper())
+ if inc:
+ self.cfg.update('configopts', '%s-include=%s' % (with_arg, inc))
+ else:
+ self.log.info("Missing inc/lib info, so not enabling %s support." % dep)
+
+
+
+
+
+
+ # BLAS, LAPACK libraries
+ bl_libdir = os.getenv('BLAS_LAPACK_LIB_DIR')
+ bl_libs = os.getenv('BLAS_LAPACK_STATIC_LIBS')
+ if bl_libdir and bl_libs:
+ self.cfg.update('configopts', '--with-blas-lapack-lib=[%s/%s]' % (bl_libdir, bl_libs))
+ else:
+ raise EasyBuildError("One or more environment variables for BLAS/LAPACK not defined?")
+
+ # additional dependencies
+ # filter out deps handled seperately
+ sep_deps = ['BLACS', 'BLAS', 'CMake', 'LAPACK', 'numpy', #'FFTW'
+ 'mpi4py', 'papi', 'ScaLAPACK', 'SciPy-bundle', 'SuiteSparse']
+ # SCOTCH has to be treated separately since they add weird postfixes
+ # to library names from SCOTCH 7.0.1 or PETSc version 3.17.
+ if (LooseVersion(self.version) >= LooseVersion("3.17")):
+ sep_deps.append('SCOTCH')
+ depfilter = [d['name'] for d in self.cfg.builddependencies()] + sep_deps
+
+ deps = [dep['name'] for dep in self.cfg.dependencies() if not dep['name'] in depfilter]
+ for dep in deps:
+ if isinstance(dep, string_type):
+ dep = (dep, dep)
+ deproot = get_software_root(dep[0])
+ if deproot:
+ if (LooseVersion(self.version) >= LooseVersion("3.5")) and (dep[1] == "SCOTCH"):
+ withdep = "--with-pt%s" % dep[1].lower() # --with-ptscotch is the configopt PETSc >= 3.5
+ else:
+ withdep = "--with-%s" % dep[1].lower()
+ self.cfg.update('configopts', '%s=1 %s-dir=%s' % (withdep, withdep, deproot))
+
+ # SCOTCH has to be treated separately since they add weird postfixes
+ # to library names from SCOTCH 7.0.1 or PETSc version 3.17.
+ scotch = get_software_root('SCOTCH')
+ scotch_ver = get_software_version('SCOTCH')
+ if (scotch and LooseVersion(scotch_ver) >= LooseVersion("7.0")):
+ withdep = "--with-ptscotch"
+ scotch_inc = [os.path.join(scotch, "include")]
+ inc_spec = "-include=[%s]" % ','.join(scotch_inc)
+
+ # For some reason there is a v3 suffix added to libptscotchparmetis
+ # which is the reason for this new code.
+ req_scotch_libs = ['libesmumps.a', 'libptesmumps.a', 'libptscotch.a',
+ 'libptscotcherr.a', 'libptscotchparmetisv3.a', 'libscotch.a',
+ 'libscotcherr.a']
+ scotch_libs = [os.path.join(scotch, "lib", x) for x in req_scotch_libs]
+ lib_spec = "-lib=[%s]" % ','.join(scotch_libs)
+ self.cfg.update('configopts', ' '.join([withdep + spec for spec in ['=1', inc_spec, lib_spec]]))
+
+ # SuiteSparse options changed in PETSc 3.5,
+ suitesparse = get_software_root('SuiteSparse')
+ if suitesparse:
+ if LooseVersion(self.version) >= LooseVersion("3.5"):
+ withdep = "--with-suitesparse"
+ # specified order of libs matters!
+ ss_libs = ["UMFPACK", "KLU", "CHOLMOD", "BTF", "CCOLAMD", "COLAMD", "CAMD", "AMD"]
+ # More libraries added after version 3.17
+ if LooseVersion(self.version) >= LooseVersion("3.17"):
+ # specified order of libs matters!
+ ss_libs = ["UMFPACK", "KLU", "SPQR", "CHOLMOD", "BTF", "CCOLAMD",
+ "COLAMD", "CSparse", "CXSparse", "LDL", "RBio",
+ "SLIP_LU", "CAMD", "AMD"]
+
+ suitesparse_inc = [os.path.join(suitesparse, x, "Include")
+ for x in ss_libs]
+ suitesparse_inc.append(os.path.join(suitesparse, "SuiteSparse_config"))
+ inc_spec = "-include=[%s]" % ','.join(suitesparse_inc)
+
+ suitesparse_libs = [os.path.join(suitesparse, x, "Lib", "lib%s.a" % x.replace("_", "").lower())
+ for x in ss_libs]
+ suitesparse_libs.append(os.path.join(suitesparse, "SuiteSparse_config", "libsuitesparseconfig.a"))
+ lib_spec = "-lib=[%s]" % ','.join(suitesparse_libs)
+ else:
+ # CHOLMOD and UMFPACK are part of SuiteSparse (PETSc < 3.5)
+ withdep = "--with-umfpack"
+ inc_spec = "-include=%s" % os.path.join(suitesparse, "UMFPACK", "Include")
+ # specified order of libs matters!
+ umfpack_libs = [os.path.join(suitesparse, x, "Lib", "lib%s.a" % x.lower())
+ for x in ["UMFPACK", "CHOLMOD", "COLAMD", "AMD"]]
+ lib_spec = "-lib=[%s]" % ','.join(umfpack_libs)
+
+ self.cfg.update('configopts', ' '.join([withdep + spec for spec in ['=1', inc_spec, lib_spec]]))
+
+ # set PETSC_DIR for configure (env) and build_step
+ env.setvar('PETSC_DIR', self.cfg['start_dir'])
+ self.cfg.update('buildopts', 'PETSC_DIR=%s' % self.cfg['start_dir'])
+
+ if self.cfg['sourceinstall']:
+ # run configure without --prefix (required)
+ cmd = "%s ./configure %s" % (self.cfg['preconfigopts'], self.cfg['configopts'])
+ (out, _) = run_cmd(cmd, log_all=True, simple=False)
+ else:
+ out = super(EB_PETSc, self).configure_step()
+
+ # check for errors in configure
+ error_regexp = re.compile("ERROR")
+ if error_regexp.search(out):
+ raise EasyBuildError("Error(s) detected in configure output!")
+
+ if self.cfg['sourceinstall']:
+ # figure out PETSC_ARCH setting
+ petsc_arch_regex = re.compile(r"^\s*PETSC_ARCH:\s*(\S+)$", re.M)
+ res = petsc_arch_regex.search(out)
+ if res:
+ self.petsc_arch = res.group(1)
+ self.cfg.update('buildopts', 'PETSC_ARCH=%s' % self.petsc_arch)
+ else:
+ raise EasyBuildError("Failed to determine PETSC_ARCH setting.")
+
+ self.petsc_subdir = '%s-%s' % (self.name.lower(), self.version)
+
+ else: # old versions (< 3.x)
+
+ self.cfg.update('configopts', '--prefix=%s' % self.installdir)
+ self.cfg.update('configopts', '--with-shared=1')
+
+ # additional dependencies
+ for dep in ["SCOTCH"]:
+ deproot = get_software_root(dep)
+ if deproot:
+ withdep = "--with-%s" % dep.lower()
+ self.cfg.update('configopts', '%s=1 %s-dir=%s' % (withdep, withdep, deproot))
+
+ cmd = "./config/configure.py %s" % self.get_cfg('configopts')
+ run_cmd(cmd, log_all=True, simple=True)
+
+ # Make sure to set test_parallel before self.cfg['parallel'] is set to None
+ if self.cfg['test_parallel'] is None and self.cfg['parallel']:
+ self.cfg['test_parallel'] = self.cfg['parallel']
+
+ # PETSc > 3.5, make does not accept -j
+ # to control parallel build, we need to specify MAKE_NP=... as argument to 'make' command
+ if LooseVersion(self.version) >= LooseVersion("3.5"):
+ self.cfg.update('buildopts', "MAKE_NP=%s" % self.cfg['parallel'])
+ self.cfg['parallel'] = None
+
+ # default make should be fine
+
+ def test_step(self):
+ """
+ Test the compilation
+ """
+
+ # Each PETSc test may use multiple threads, so running "self.cfg['parallel']" of them may lead to
+ # some oversubscription every now and again. Not a big deal, but if needed a reduced parallelism
+ # can be specified with test_parallel - and it takes priority
+ paracmd = ''
+ self.log.info("In test_step: %s" % self.cfg['test_parallel'])
+ if self.cfg['test_parallel'] is not None:
+ paracmd = "-j %s" % self.cfg['test_parallel']
+
+ if self.cfg['runtest']:
+ cmd = "%s make %s %s %s" % (self.cfg['pretestopts'], paracmd, self.cfg['runtest'], self.cfg['testopts'])
+ (out, _) = run_cmd(cmd, log_all=True, simple=False)
+
+ return out
+
+ def install_step(self):
+ """
+ Install using make install (for non-source installations),
+ or by symlinking files (old versions, < 3).
+ """
+ if LooseVersion(self.version) >= LooseVersion("3"):
+ if not self.cfg['sourceinstall']:
+ super(EB_PETSc, self).install_step()
+ petsc_root = self.installdir
+ else:
+ petsc_root = os.path.join(self.installdir, self.petsc_subdir)
+ # Remove MPI-CXX flags added during configure to prevent them from being passed to consumers of PETsc
+ petsc_variables_path = os.path.join(petsc_root, 'lib', 'petsc', 'conf', 'petscvariables')
+ if os.path.isfile(petsc_variables_path):
+ fix = (r'^(CXX_FLAGS|CXX_LINKER_FLAGS|CONFIGURE_OPTIONS)( = .*)%s(.*)$' % NO_MPI_CXX_EXT_FLAGS,
+ r'\1\2\3')
+ apply_regex_substitutions(petsc_variables_path, [fix])
+
+ else: # old versions (< 3.x)
+
+ for fn in ['petscconf.h', 'petscconfiginfo.h', 'petscfix.h', 'petscmachineinfo.h']:
+ includedir = os.path.join(self.installdir, 'include')
+ bmakedir = os.path.join(self.installdir, 'bmake', 'linux-gnu-c-opt')
+ symlink(os.path.join(bmakedir, fn), os.path.join(includedir, fn))
+
+ def make_module_req_guess(self):
+ """Specify PETSc custom values for PATH, CPATH and LD_LIBRARY_PATH."""
+
+ guesses = super(EB_PETSc, self).make_module_req_guess()
+
+ guesses.update({
+ 'CPATH': [os.path.join(self.prefix_lib, 'include'), os.path.join(self.prefix_inc, 'include')],
+ 'LD_LIBRARY_PATH': [os.path.join(self.prefix_lib, 'lib')],
+ 'PATH': [os.path.join(self.prefix_bin, 'bin')],
+ # see https://www.mcs.anl.gov/petsc/documentation/faq.html#sparse-matrix-ascii-format
+ 'PYTHONPATH': [os.path.join('lib', 'petsc', 'bin')],
+ })
+
+ return guesses
+
+ def make_module_extra(self):
+ """Set PETSc specific environment variables (PETSC_DIR, PETSC_ARCH)."""
+ txt = super(EB_PETSc, self).make_module_extra()
+
+ if self.cfg['sourceinstall']:
+ txt += self.module_generator.set_environment('PETSC_DIR', os.path.join(self.installdir, self.petsc_subdir))
+ txt += self.module_generator.set_environment('PETSC_ARCH', self.petsc_arch)
+ else:
+ txt += self.module_generator.set_environment('PETSC_DIR', self.installdir)
+
+ return txt
+
+ def sanity_check_step(self):
+ """Custom sanity check for PETSc"""
+
+ if self.cfg['shared_libs']:
+ libext = get_shared_lib_ext()
+ else:
+ libext = 'a'
+
+ custom_paths = {
+ 'files': [os.path.join(self.prefix_lib, 'lib', 'libpetsc.%s' % libext)],
+ 'dirs': [os.path.join(self.prefix_bin, 'bin'), os.path.join(self.prefix_inc, 'include'),
+ os.path.join(self.prefix_lib, 'include')]
+ }
+ if LooseVersion(self.version) < LooseVersion('3.6'):
+ custom_paths['dirs'].append(os.path.join(self.prefix_lib, 'conf'))
+ else:
+ custom_paths['dirs'].append(os.path.join(self.prefix_lib, 'lib', 'petsc', 'conf'))
+
+ custom_commands = []
+ if self.with_python:
+ custom_commands.append("python -m PetscBinaryIO --help")
+
+ super(EB_PETSc, self).sanity_check_step(custom_paths=custom_paths, custom_commands=custom_commands)
+
diff --git a/Custom_EasyBlocks/psmpi.py b/Custom_EasyBlocks/psmpi.py
index f9001ee72743f1d69ff3e053f9b1beec60d372cc..419364518739b864645bf158e3db669546142122 100644
--- a/Custom_EasyBlocks/psmpi.py
+++ b/Custom_EasyBlocks/psmpi.py
@@ -60,6 +60,7 @@ class EB_psmpi(EB_MPICH):
'threaded': [False, "Enable multithreaded build (which is slower)", CUSTOM],
'pscom_allin_path': [None, "Enable pscom integration by giving its source path", CUSTOM],
'cuda': [False, "Enable CUDA awareness", CUSTOM],
+ 'msa': [False, "Enable MSA awareness", CUSTOM],
})
return extra_vars
@@ -88,6 +89,10 @@ class EB_psmpi(EB_MPICH):
self.log.info("Enabling CUDA-Awareness...")
self.cfg.update('configopts', ' --with-cuda')
+ if self.cfg['msa']:
+ self.log.info("Enabling MSA-Awareness...")
+ self.cfg.update('configopts', ' --with-msa-awareness')
+
# Set confset
comp_fam = self.toolchain.comp_family()
if comp_fam in comp_opts:
diff --git a/Custom_EasyBlocks/tensorflow.py b/Custom_EasyBlocks/tensorflow.py
new file mode 100644
index 0000000000000000000000000000000000000000..239634a2c3f6457e31d2bd255cf8534f626c6617
--- /dev/null
+++ b/Custom_EasyBlocks/tensorflow.py
@@ -0,0 +1,1174 @@
+##
+# Copyright 2017-2023 Ghent University
+#
+# This file is part of EasyBuild,
+# originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),
+# with support of Ghent University (http://ugent.be/hpc),
+# the Flemish Supercomputer Centre (VSC) (https://www.vscentrum.be),
+# Flemish Research Foundation (FWO) (http://www.fwo.be/en)
+# and the Department of Economy, Science and Innovation (EWI) (http://www.ewi-vlaanderen.be/en).
+#
+# https://github.com/easybuilders/easybuild
+#
+# EasyBuild is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation v2.
+#
+# EasyBuild is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with EasyBuild. If not, see <http://www.gnu.org/licenses/>.
+##
+"""
+EasyBuild support for building and installing TensorFlow, implemented as an easyblock
+
+@author: Kenneth Hoste (HPC-UGent)
+@author: Ake Sandgren (Umea University)
+@author: Damian Alvarez (Forschungzentrum Juelich GmbH)
+@author: Alexander Grund (TU Dresden)
+"""
+import glob
+import os
+import re
+import stat
+import tempfile
+
+import easybuild.tools.environment as env
+import easybuild.tools.toolchain as toolchain
+from easybuild.easyblocks.generic.pythonpackage import PythonPackage, det_python_version
+from easybuild.easyblocks.python import EXTS_FILTER_PYTHON_PACKAGES
+from easybuild.framework.easyconfig import CUSTOM
+from easybuild.tools import run, LooseVersion
+from easybuild.tools.build_log import EasyBuildError, print_warning
+from easybuild.tools.config import build_option, IGNORE
+from easybuild.tools.filetools import adjust_permissions, apply_regex_substitutions, copy_file, mkdir, resolve_path
+from easybuild.tools.filetools import is_readable, read_file, which, write_file, remove_file
+from easybuild.tools.modules import get_software_root, get_software_version, get_software_libdir
+from easybuild.tools.run import run_cmd
+from easybuild.tools.systemtools import X86_64, get_cpu_architecture, get_os_name, get_os_version
+
+
+CPU_DEVICE = 'cpu'
+GPU_DEVICE = 'gpu'
+
+# Wrapper for Intel(MPI) compilers, where required environment variables
+# are hardcoded to make sure they are present;
+# this is required because Bazel resets the environment in which
+# compiler commands are executed...
+INTEL_COMPILER_WRAPPER = """#!/bin/bash
+
+export CPATH='%(cpath)s'
+
+# Only relevant for Intel compilers.
+export INTEL_LICENSE_FILE='%(intel_license_file)s'
+
+# Only relevant for MPI compiler wrapper (mpiicc/mpicc etc),
+# not for regular compiler.
+export I_MPI_ROOT='%(intel_mpi_root)s'
+
+# Exclude location of this wrapper from $PATH to avoid other potential
+# wrappers calling this wrapper.
+export PATH=$(echo $PATH | tr ':' '\n' | grep -v "^%(wrapper_dir)s$" | tr '\n' ':')
+
+%(compiler_path)s "$@"
+"""
+
+
+def split_tf_libs_txt(valid_libs_txt):
+ """Split the VALID_LIBS entry from the TF file into single names"""
+ entries = valid_libs_txt.split(',')
+ # Remove double quotes and whitespace
+ result = [entry.strip().strip('"') for entry in entries]
+ # Remove potentially trailing empty element due to trailing comma in the txt
+ if not result[-1]:
+ result.pop()
+ return result
+
+
+def get_system_libs_from_tf(source_dir):
+ """Return the valid values for TF_SYSTEM_LIBS from the TensorFlow source directory"""
+ syslibs_path = os.path.join(source_dir, 'third_party', 'systemlibs', 'syslibs_configure.bzl')
+ result = []
+ if os.path.exists(syslibs_path):
+ txt = read_file(syslibs_path)
+ valid_libs_match = re.search(r'VALID_LIBS\s*=\s*\[(.*?)\]', txt, re.DOTALL)
+ if not valid_libs_match:
+ raise EasyBuildError('VALID_LIBS definition not found in %s', syslibs_path)
+ result = split_tf_libs_txt(valid_libs_match.group(1))
+ return result
+
+
+def get_system_libs_for_version(tf_version, as_valid_libs=False):
+ """
+ Determine valid values for $TF_SYSTEM_LIBS for the given TF version
+
+ If as_valid_libs=False (default) then returns 2 dictioniaries:
+ 1: Mapping of <EB name> to <TF name>
+ 2: Mapping of <package name> to <TF name> (for python extensions)
+ else returns a string formated like the VALID_LIBS variable in third_party/systemlibs/syslibs_configure.bzl
+ Those can be used to check/diff against third_party/systemlibs/syslibs_configure.bzl by running:
+ python -c 'from easybuild.easyblocks.tensorflow import get_system_libs_for_version; \
+ print(get_system_libs_for_version("2.1.0", as_valid_libs=True))'
+ """
+ tf_version = LooseVersion(tf_version)
+
+ def is_version_ok(version_range):
+ """Return True if the TF version to be installed matches the version_range"""
+ min_version, max_version = version_range.split(':')
+ result = True
+ if min_version and tf_version < LooseVersion(min_version):
+ result = False
+ if max_version and tf_version >= LooseVersion(max_version):
+ result = False
+ return result
+
+ # For these lists check third_party/systemlibs/syslibs_configure.bzl --> VALID_LIBS
+ # Also verify third_party/systemlibs/<name>.BUILD or third_party/systemlibs/<name>/BUILD.system
+ # if it does something "strange" (e.g. link hardcoded headers)
+
+ # Software which is added as a dependency in the EC
+ available_system_libs = {
+ # Format: (<EB name>, <version range>): <TF name>
+ # <version range> is '<min version>:<exclusive max version>'
+ ('Abseil', '2.9.0:'): 'com_google_absl',
+ ('cURL', '2.0.0:'): 'curl',
+ ('double-conversion', '2.0.0:'): 'double_conversion',
+ ('flatbuffers', '2.0.0:'): 'flatbuffers',
+ ('giflib', '2.0.0:2.1.0'): 'gif_archive',
+ ('giflib', '2.1.0:'): 'gif',
+ ('hwloc', '2.0.0:'): 'hwloc',
+ ('ICU', '2.0.0:'): 'icu',
+ ('JsonCpp', '2.0.0:'): 'jsoncpp_git',
+ ('libjpeg-turbo', '2.0.0:2.2.0'): 'jpeg',
+ ('libjpeg-turbo', '2.2.0:'): 'libjpeg_turbo',
+ ('libpng', '2.0.0:2.1.0'): 'png_archive',
+ ('libpng', '2.1.0:'): 'png',
+ ('LMDB', '2.0.0:'): 'lmdb',
+ ('NASM', '2.0.0:'): 'nasm',
+ ('nsync', '2.0.0:'): 'nsync',
+ ('PCRE', '2.0.0:2.6.0'): 'pcre',
+ ('protobuf', '2.0.0:'): 'com_google_protobuf',
+ ('pybind11', '2.2.0:'): 'pybind11',
+ ('snappy', '2.0.0:'): 'snappy',
+ ('SQLite', '2.0.0:'): 'org_sqlite',
+ ('SWIG', '2.0.0:2.4.0'): 'swig',
+ ('zlib', '2.0.0:2.2.0'): 'zlib_archive',
+ ('zlib', '2.2.0:'): 'zlib',
+ }
+ # Software recognized by TF but which is always disabled (usually because no EC is known)
+ # Format: <TF name>: <version range>
+ unused_system_libs = {
+ 'boringssl': '2.0.0:',
+ 'com_github_googleapis_googleapis': '2.0.0:2.5.0',
+ 'com_github_googlecloudplatform_google_cloud_cpp': '2.0.0:', # Not used due to $TF_NEED_GCP=0
+ 'com_github_grpc_grpc': '2.2.0:',
+ 'com_googlesource_code_re2': '2.0.0:',
+ 'grpc': '2.0.0:2.2.0',
+ }
+ # Python packages installed as extensions or in the Python module
+ # Will be checked for availabilitly
+ # Format: (<package name>, <version range>): <TF name>
+ python_system_libs = {
+ ('absl', '2.0.0:'): 'absl_py',
+ ('astor', '2.0.0:'): 'astor_archive',
+ ('astunparse', '2.2.0:'): 'astunparse_archive',
+ ('cython', '2.0.0:'): 'cython', # Part of Python EC
+ ('dill', '2.4.0:'): 'dill_archive',
+ ('enum', '2.0.0:2.8.0'): 'enum34_archive', # Part of Python3
+ ('flatbuffers', '2.4.0:'): 'flatbuffers',
+ ('functools', '2.0.0:'): 'functools32_archive', # Part of Python3
+ ('gast', '2.0.0:'): 'gast_archive',
+ ('google.protobuf', '2.0.0:'): 'com_google_protobuf',
+ ('keras_applications', '2.0.0:2.2.0'): 'keras_applications_archive',
+ ('opt_einsum', '2.0.0:'): 'opt_einsum_archive',
+ ('pasta', '2.0.0:'): 'pasta',
+ ('six', '2.0.0:'): 'six_archive', # Part of Python EC
+ ('tblib', '2.4.0:'): 'tblib_archive',
+ ('termcolor', '2.0.0:'): 'termcolor_archive',
+ ('typing_extensions', '2.4.0:'): 'typing_extensions_archive',
+ ('wrapt', '2.0.0:'): 'wrapt',
+ }
+
+ dependency_mapping = dict((dep_name, tf_name)
+ for (dep_name, version_range), tf_name in available_system_libs.items()
+ if is_version_ok(version_range))
+ python_mapping = dict((pkg_name, tf_name)
+ for (pkg_name, version_range), tf_name in python_system_libs.items()
+ if is_version_ok(version_range))
+
+ if as_valid_libs:
+ tf_names = [tf_name for tf_name, version_range in unused_system_libs.items()
+ if is_version_ok(version_range)]
+ tf_names.extend(dependency_mapping.values())
+ tf_names.extend(python_mapping.values())
+ result = '\n'.join([' "%s",' % name for name in sorted(tf_names)])
+ else:
+ result = dependency_mapping, python_mapping
+ return result
+
+
+def get_bazel_version():
+ """Get the Bazel version as a LooseVersion. Error if not found"""
+ version = get_software_version('Bazel')
+ if version is None:
+ raise EasyBuildError('Failed to determine Bazel version - is it listed as a (build) dependency?')
+ return LooseVersion(version)
+
+
+class EB_TensorFlow(PythonPackage):
+ """Support for building/installing TensorFlow."""
+
+ @staticmethod
+ def extra_options():
+ extra_vars = {
+ 'path_filter': [[], "List of patterns to be filtered out in paths in $CPATH and $LIBRARY_PATH", CUSTOM],
+ 'with_jemalloc': [None, "Make TensorFlow use jemalloc (usually enabled by default). " +
+ "Unsupported starting at TensorFlow 1.12!", CUSTOM],
+ 'with_mkl_dnn': [None, "Make TensorFlow use Intel MKL-DNN / oneDNN and configure with --config=mkl "
+ "(enabled by default where supported for TensorFlow versions before 2.4.0)",
+ CUSTOM],
+ 'with_xla': [None, "Enable XLA JIT compiler for possible runtime optimization of models", CUSTOM],
+ 'test_script': [None, "Script to test TensorFlow installation with", CUSTOM],
+ 'test_targets': [[], "List of Bazel targets which should be run during the test step", CUSTOM],
+ 'test_tag_filters_cpu': ['', "Comma-separated list of tags to filter for during the CPU test step", CUSTOM],
+ 'test_tag_filters_gpu': ['', "Comma-separated list of tags to filter for during the GPU test step", CUSTOM],
+ 'testopts_gpu': ['', 'Test options for the GPU test step', CUSTOM],
+ 'test_max_parallel': [None, "Maximum number of test jobs to run in parallel (GPU tests are limited by " +
+ "the number of GPUs). Use None (default) to automatically determine a value", CUSTOM],
+ 'jvm_max_memory': [4096, "Maximum amount of memory in MB used for the JVM running Bazel." +
+ "Use None to not set a specific limit (uses a default value).", CUSTOM],
+ }
+
+ return PythonPackage.extra_options(extra_vars)
+
+ def __init__(self, *args, **kwargs):
+ """Initialize TensorFlow easyblock."""
+ super(EB_TensorFlow, self).__init__(*args, **kwargs)
+
+ with self.cfg.disable_templating():
+ self.cfg['exts_defaultclass'] = 'PythonPackage'
+
+ self.cfg['exts_default_options']['download_dep_fail'] = True
+ self.cfg['exts_default_options']['use_pip'] = True
+ self.cfg['exts_filter'] = EXTS_FILTER_PYTHON_PACKAGES
+
+ self.system_libs_info = None
+
+ self.test_script = None
+
+ # locate test script (if specified)
+ if self.cfg['test_script']:
+ # try to locate test script via obtain_file (just like sources & patches files)
+ self.test_script = self.obtain_file(self.cfg['test_script'])
+ if self.test_script and os.path.exists(self.test_script):
+ self.log.info("Test script found: %s", self.test_script)
+ else:
+ raise EasyBuildError("Specified test script %s not found!", self.cfg['test_script'])
+
+ def python_pkg_exists(self, name):
+ """Check if the given python package exists/can be imported"""
+ cmd = self.python_cmd + " -c 'import %s'" % name
+ out, ec = run_cmd(cmd, log_ok=False)
+ self.log.debug('Existence check for %s returned %s with output: %s', name, ec, out)
+ return ec == 0
+
+ def handle_jemalloc(self):
+ """Figure out whether jemalloc support should be enabled or not."""
+ if self.cfg['with_jemalloc'] is None:
+ if LooseVersion(self.version) > LooseVersion('1.6'):
+ # jemalloc bundled with recent versions of TensorFlow does not work on RHEL 6 or derivatives,
+ # so disable it automatically if with_jemalloc was left unspecified
+ os_name = get_os_name().replace(' ', '')
+ rh_based_os = any(os_name.startswith(x) for x in ['centos', 'redhat', 'rhel', 'sl'])
+ if rh_based_os and get_os_version().startswith('6.'):
+ self.log.info("Disabling jemalloc since bundled jemalloc does not work on RHEL 6 and derivatives")
+ self.cfg['with_jemalloc'] = False
+
+ # if the above doesn't disable jemalloc support, then enable it by default
+ if self.cfg['with_jemalloc'] is None:
+ self.log.info("Enabling jemalloc support by default, since it was left unspecified")
+ self.cfg['with_jemalloc'] = True
+
+ else:
+ # if with_jemalloc was specified, stick to that
+ self.log.info("with_jemalloc was specified as %s, so sticking to it", self.cfg['with_jemalloc'])
+
+ def write_wrapper(self, wrapper_dir, compiler, i_mpi_root):
+ """Helper function to write a compiler wrapper."""
+ wrapper_txt = INTEL_COMPILER_WRAPPER % {
+ 'compiler_path': which(compiler),
+ 'intel_mpi_root': i_mpi_root,
+ 'cpath': os.getenv('CPATH'),
+ 'intel_license_file': os.getenv('INTEL_LICENSE_FILE', os.getenv('LM_LICENSE_FILE')),
+ 'wrapper_dir': wrapper_dir,
+ }
+ wrapper = os.path.join(wrapper_dir, compiler)
+ write_file(wrapper, wrapper_txt)
+ if self.dry_run:
+ self.dry_run_msg("Wrapper for '%s' was put in place: %s", compiler, wrapper)
+ else:
+ adjust_permissions(wrapper, stat.S_IXUSR)
+ self.log.info("Using wrapper script for '%s': %s", compiler, which(compiler))
+
+ def verify_system_libs_info(self):
+ """Verifies that the stored info about $TF_SYSTEM_LIBS is complete"""
+ available_libs_src = set(get_system_libs_from_tf(self.start_dir))
+ available_libs_eb = set(split_tf_libs_txt(get_system_libs_for_version(self.version, as_valid_libs=True)))
+ # If available_libs_eb is empty it is not an error e.g. it is not worth trying to make all old ECs work
+ # So we just log it so it can be verified manually if required
+ if not available_libs_eb:
+ self.log.warning('TensorFlow EasyBlock does not have any information for $TF_SYSTEM_LIBS stored. ' +
+ 'This means most dependencies will be downloaded at build time by TensorFlow.\n' +
+ 'Available $TF_SYSTEM_LIBS according to the TensorFlow sources: %s',
+ sorted(available_libs_src))
+ return
+ # Those 2 sets should be equal. We determine the differences here to report better errors
+ missing_libs = available_libs_src - available_libs_eb
+ unknown_libs = available_libs_eb - available_libs_src
+ if missing_libs or unknown_libs:
+ if not available_libs_src:
+ msg = 'Failed to determine available $TF_SYSTEM_LIBS from the source'
+ else:
+ msg = 'Values for $TF_SYSTEM_LIBS in the TensorFlow EasyBlock are incomplete.\n'
+ if missing_libs:
+ # Libs available according to TF sources but not listed in this EasyBlock
+ msg += 'Missing entries for $TF_SYSTEM_LIBS: %s\n' % missing_libs
+ if unknown_libs:
+ # Libs listed in this EasyBlock but not present in the TF sources -> Removed?
+ msg += 'Unrecognized entries for $TF_SYSTEM_LIBS: %s\n' % unknown_libs
+ msg += 'The EasyBlock needs to be updated to fully work with TensorFlow version %s' % self.version
+ if build_option('strict') == run.ERROR:
+ raise EasyBuildError(msg)
+ else:
+ print_warning(msg)
+
+ def get_system_libs(self):
+ """
+ Get list of dependencies for $TF_SYSTEM_LIBS
+
+ Returns a tuple of lists: $TF_SYSTEM_LIBS names, include paths, library paths
+ """
+ dependency_mapping, python_mapping = get_system_libs_for_version(self.version)
+ # Some TF dependencies require both a (usually C++) dependency and a Python package
+ deps_with_python_pkg = set(tf_name for tf_name in dependency_mapping.values()
+ if tf_name in python_mapping.values())
+
+ system_libs = []
+ cpaths = []
+ libpaths = []
+ ignored_system_deps = []
+
+ # Check direct dependencies
+ dep_names = set(dep['name'] for dep in self.cfg.dependencies())
+ for dep_name, tf_name in sorted(dependency_mapping.items(), key=lambda i: i[0].lower()):
+ if dep_name in dep_names:
+ if tf_name in deps_with_python_pkg:
+ pkg_name = next(cur_pkg_name for cur_pkg_name, cur_tf_name in python_mapping.items()
+ if cur_tf_name == tf_name)
+ # Simply ignore. Error reporting is done in the other loop
+ if not self.python_pkg_exists(pkg_name):
+ continue
+ system_libs.append(tf_name)
+ # When using cURL (which uses the system OpenSSL), we also need to use "boringssl"
+ # which essentially resolves to using OpenSSL as the API and library names are compatible
+ if dep_name == 'cURL':
+ system_libs.append('boringssl')
+ sw_root = get_software_root(dep_name)
+ # Dependency might be filtered via --filter-deps. In that case assume globally installed version
+ if not sw_root:
+ continue
+ incpath = os.path.join(sw_root, 'include')
+ if os.path.exists(incpath):
+ cpaths.append(incpath)
+ if dep_name == 'JsonCpp' and LooseVersion(self.version) < LooseVersion('2.3'):
+ # Need to add the install prefix or patch the sources:
+ # https://github.com/tensorflow/tensorflow/issues/42303
+ cpaths.append(sw_root)
+ if dep_name == 'protobuf':
+ if LooseVersion(self.version) < LooseVersion('2.4'):
+ # Need to set INCLUDEDIR as TF wants to symlink files from there:
+ # https://github.com/tensorflow/tensorflow/issues/37835
+ env.setvar('INCLUDEDIR', incpath)
+ else:
+ env.setvar('PROTOBUF_INCLUDE_PATH', incpath)
+ libpath = get_software_libdir(dep_name)
+ if libpath:
+ libpaths.append(os.path.join(sw_root, libpath))
+ else:
+ ignored_system_deps.append('%s (Dependency %s)' % (tf_name, dep_name))
+
+ for pkg_name, tf_name in sorted(python_mapping.items(), key=lambda i: i[0].lower()):
+ if self.python_pkg_exists(pkg_name):
+ # If it is in deps_with_python_pkg we already added it
+ if tf_name not in deps_with_python_pkg:
+ system_libs.append(tf_name)
+ else:
+ ignored_system_deps.append('%s (Python package %s)' % (tf_name, pkg_name))
+
+ # If we use OpenSSL (potentially as a wrapper) somewhere in the chain we must tell TF to use it too
+ openssl_root = get_software_root('OpenSSL')
+ if openssl_root:
+ if 'boringssl' not in system_libs:
+ system_libs.append('boringssl')
+ incpath = os.path.join(openssl_root, 'include')
+ if os.path.exists(incpath):
+ cpaths.append(incpath)
+ libpath = get_software_libdir(dep_name)
+ if libpath:
+ libpaths.append(os.path.join(openssl_root, libpath))
+
+ if ignored_system_deps:
+ print_warning('%d TensorFlow dependencies have not been resolved by EasyBuild. Check the log for details.',
+ len(ignored_system_deps))
+ self.log.warning('For the following $TF_SYSTEM_LIBS dependencies TensorFlow will download a copy ' +
+ 'because an EB dependency was not found: \n%s\n' +
+ 'EC Dependencies: %s\n' +
+ 'Installed Python packages: %s\n',
+ ', '.join(ignored_system_deps),
+ ', '.join(dep_names),
+ ', '.join(self.get_installed_python_packages()))
+ else:
+ self.log.info("All known TensorFlow $TF_SYSTEM_LIBS dependencies resolved via EasyBuild!")
+
+ return system_libs, cpaths, libpaths
+
+ def setup_build_dirs(self):
+ """Setup temporary build directories"""
+ # This is either the builddir (for standalone builds) or the extension sub folder when TF is an extension
+ # Either way this folder only contains the folder with the sources and hence we can use fixed names
+ # for the subfolders
+ parent_dir = os.path.dirname(self.start_dir)
+ # Path where Bazel will store its output, build artefacts etc.
+ self.output_user_root_dir = os.path.join(parent_dir, 'bazel-root')
+ # Folder where wrapper binaries can be placed, where required. TODO: Replace by --action_env cmds
+ self.wrapper_dir = os.path.join(parent_dir, 'wrapper_bin')
+
+ def configure_step(self):
+ """Custom configuration procedure for TensorFlow."""
+
+ # Bazel seems to not be able to handle a large amount of parallel jobs, e.g. 176 on some Power machines,
+ # and will hang forever building the TensorFlow package.
+ # So limit to something high but still reasonable while allowing ECs to overwrite it
+ if self.cfg['maxparallel'] is None:
+ # Seemingly Bazel around 3.x got better, so double the max there
+ bazel_max = 64 if get_bazel_version() < '3.0.0' else 128
+ self.cfg['parallel'] = min(self.cfg['parallel'], bazel_max)
+
+ binutils_root = get_software_root('binutils')
+ if not binutils_root:
+ raise EasyBuildError("Failed to determine installation prefix for binutils")
+ self.binutils_bin_path = os.path.join(binutils_root, 'bin')
+
+ # filter out paths from CPATH and LIBRARY_PATH. This is needed since bazel will pull some dependencies that
+ # might conflict with dependencies on the system and/or installed with EB. For example: protobuf
+ path_filter = self.cfg['path_filter']
+ if path_filter:
+ self.log.info("Filtering $CPATH and $LIBRARY_PATH with path filter %s", path_filter)
+ for var in ['CPATH', 'LIBRARY_PATH']:
+ path = os.getenv(var).split(os.pathsep)
+ self.log.info("$%s old value was %s" % (var, path))
+ filtered_path = os.pathsep.join([p for fil in path_filter for p in path if fil not in p])
+ env.setvar(var, filtered_path)
+
+ self.setup_build_dirs()
+
+ use_wrapper = False
+ if self.toolchain.comp_family() == toolchain.INTELCOMP:
+ # put wrappers for Intel C/C++ compilers in place (required to make sure license server is found)
+ # cfr. https://github.com/bazelbuild/bazel/issues/663
+ for compiler in ('icc', 'icpc'):
+ self.write_wrapper(self.wrapper_dir, compiler, 'NOT-USED-WITH-ICC')
+ use_wrapper = True
+
+ use_mpi = self.toolchain.options.get('usempi', False)
+ mpi_home = ''
+ if use_mpi:
+ impi_root = get_software_root('impi')
+ if impi_root:
+ # put wrappers for Intel MPI compiler wrappers in place
+ # (required to make sure license server and I_MPI_ROOT are found)
+ for compiler in (os.getenv('MPICC'), os.getenv('MPICXX')):
+ self.write_wrapper(self.wrapper_dir, compiler, os.getenv('I_MPI_ROOT'))
+ use_wrapper = True
+ # set correct value for MPI_HOME
+ mpi_home = os.path.join(impi_root, 'intel64')
+ else:
+ self.log.debug("MPI module name: %s", self.toolchain.MPI_MODULE_NAME[0])
+ mpi_home = get_software_root(self.toolchain.MPI_MODULE_NAME[0])
+
+ self.log.debug("Derived value for MPI_HOME: %s", mpi_home)
+
+ if use_wrapper:
+ env.setvar('PATH', os.pathsep.join([self.wrapper_dir, os.getenv('PATH')]))
+
+ self.prepare_python()
+
+ self.verify_system_libs_info()
+ self.system_libs_info = self.get_system_libs()
+
+ # Options passed to the target (build/test), e.g. --config arguments
+ self.target_opts = []
+
+ cuda_root = get_software_root('CUDA')
+ cudnn_root = get_software_root('cuDNN')
+ opencl_root = get_software_root('OpenCL')
+ tensorrt_root = get_software_root('TensorRT')
+ nccl_root = get_software_root('NCCL')
+
+ self._with_cuda = bool(cuda_root)
+
+ config_env_vars = {
+ 'CC_OPT_FLAGS': os.getenv('CXXFLAGS'),
+ 'MPI_HOME': mpi_home,
+ 'PYTHON_BIN_PATH': self.python_cmd,
+ 'PYTHON_LIB_PATH': os.path.join(self.installdir, self.pylibdir),
+ 'TF_CUDA_CLANG': '0',
+ 'TF_DOWNLOAD_CLANG': '0', # Still experimental in TF 2.1.0
+ 'TF_ENABLE_XLA': ('0', '1')[bool(self.cfg['with_xla'])], # XLA JIT support
+ 'TF_NEED_CUDA': ('0', '1')[self._with_cuda],
+ 'TF_NEED_OPENCL': ('0', '1')[bool(opencl_root)],
+ 'TF_NEED_ROCM': '0',
+ 'TF_NEED_TENSORRT': '0',
+ 'TF_SET_ANDROID_WORKSPACE': '0',
+ 'TF_SYSTEM_LIBS': ','.join(self.system_libs_info[0]),
+ }
+ if LooseVersion(self.version) < LooseVersion('1.10'):
+ config_env_vars['TF_NEED_S3'] = '0' # Renamed to TF_NEED_AWS in 1.9.0-rc2 and 1.10, not 1.9.0
+ # Options removed in 1.12.0
+ if LooseVersion(self.version) < LooseVersion('1.12'):
+ self.handle_jemalloc()
+ config_env_vars.update({
+ 'TF_NEED_AWS': '0', # Amazon AWS Platform
+ 'TF_NEED_GCP': '0', # Google Cloud Platform
+ 'TF_NEED_GDR': '0',
+ 'TF_NEED_HDFS': '0', # Hadoop File System
+ 'TF_NEED_JEMALLOC': ('0', '1')[self.cfg['with_jemalloc']],
+ 'TF_NEED_KAFKA': '0', # Amazon Kafka Platform
+ 'TF_NEED_VERBS': '0',
+ })
+ elif self.cfg['with_jemalloc'] is True:
+ print_warning('Jemalloc is not supported in TensorFlow %s, the EC option with_jemalloc has no effect',
+ self.version)
+ # Disable support of some features via config switch introduced in 1.12.1
+ if LooseVersion(self.version) >= LooseVersion('1.12.1'):
+ self.target_opts += ['--config=noaws', '--config=nogcp', '--config=nohdfs']
+ # Removed in 2.1
+ if LooseVersion(self.version) < LooseVersion('2.1'):
+ self.target_opts.append('--config=nokafka')
+ # MPI support removed in 2.1
+ if LooseVersion(self.version) < LooseVersion('2.1'):
+ config_env_vars['TF_NEED_MPI'] = ('0', '1')[bool(use_mpi)]
+ # SYCL support removed in 2.4
+ if LooseVersion(self.version) < LooseVersion('2.4'):
+ config_env_vars['TF_NEED_OPENCL_SYCL'] = '0'
+
+ if self._with_cuda:
+ cuda_version = get_software_version('CUDA')
+ cuda_maj_min_ver = '.'.join(cuda_version.split('.')[:2])
+
+ # $GCC_HOST_COMPILER_PATH should be set to path of the actual compiler (not the MPI compiler wrapper)
+ if use_mpi:
+ compiler_path = which(os.getenv('CC_SEQ'))
+ else:
+ compiler_path = which(os.getenv('CC'))
+
+ # list of CUDA compute capabilities to use can be specifed in two ways (where (2) overrules (1)):
+ # (1) in the easyconfig file, via the custom cuda_compute_capabilities;
+ # (2) in the EasyBuild configuration, via --cuda-compute-capabilities configuration option;
+ ec_cuda_cc = self.cfg['cuda_compute_capabilities']
+ cfg_cuda_cc = build_option('cuda_compute_capabilities')
+ cuda_cc = cfg_cuda_cc or ec_cuda_cc or []
+
+ if cfg_cuda_cc and ec_cuda_cc:
+ warning_msg = "cuda_compute_capabilities specified in easyconfig (%s) are overruled by " % ec_cuda_cc
+ warning_msg += "--cuda-compute-capabilities configuration option (%s)" % cfg_cuda_cc
+ print_warning(warning_msg)
+ elif not cuda_cc:
+ warning_msg = "No CUDA compute capabilities specified, so using TensorFlow default "
+ warning_msg += "(which may not be optimal for your system).\nYou should use "
+ warning_msg += "the --cuda-compute-capabilities configuration option or the cuda_compute_capabilities "
+ warning_msg += "easyconfig parameter to specify a list of CUDA compute capabilities to compile with."
+ print_warning(warning_msg)
+
+ # TensorFlow 1.12.1 requires compute capability >= 3.5
+ # see https://github.com/tensorflow/tensorflow/pull/25767
+ if LooseVersion(self.version) >= LooseVersion('1.12.1'):
+ faulty_comp_caps = [x for x in cuda_cc if LooseVersion(x) < LooseVersion('3.5')]
+ if faulty_comp_caps:
+ error_msg = "TensorFlow >= 1.12.1 requires CUDA compute capabilities >= 3.5, "
+ error_msg += "found one or more older ones: %s"
+ raise EasyBuildError(error_msg, ', '.join(faulty_comp_caps))
+
+ if cuda_cc:
+ self.log.info("Compiling with specified list of CUDA compute capabilities: %s", ', '.join(cuda_cc))
+
+ config_env_vars.update({
+ 'CUDA_TOOLKIT_PATH': cuda_root,
+ 'GCC_HOST_COMPILER_PATH': compiler_path,
+ # This is the binutils bin folder: https://github.com/tensorflow/tensorflow/issues/39263
+ 'GCC_HOST_COMPILER_PREFIX': self.binutils_bin_path,
+ 'TF_CUDA_COMPUTE_CAPABILITIES': ','.join(cuda_cc),
+ 'TF_CUDA_VERSION': cuda_maj_min_ver,
+ })
+
+ # for recent TensorFlow versions, $TF_CUDA_PATHS and $TF_CUBLAS_VERSION must also be set
+ if LooseVersion(self.version) >= LooseVersion('1.14'):
+
+ # figure out correct major/minor version for CUBLAS from cublas_api.h
+ cublas_api_header_glob_pattern = os.path.join(cuda_root, 'targets', '*', 'include', 'cublas_api.h')
+ matches = glob.glob(cublas_api_header_glob_pattern)
+ if len(matches) == 1:
+ cublas_api_header_path = matches[0]
+ cublas_api_header_txt = read_file(cublas_api_header_path)
+ else:
+ raise EasyBuildError("Failed to isolate path to cublas_api.h: %s", matches)
+
+ cublas_ver_parts = []
+ for key in ['CUBLAS_VER_MAJOR', 'CUBLAS_VER_MINOR', 'CUBLAS_VER_PATCH']:
+ regex = re.compile("^#define %s ([0-9]+)" % key, re.M)
+ res = regex.search(cublas_api_header_txt)
+ if res:
+ cublas_ver_parts.append(res.group(1))
+ else:
+ raise EasyBuildError("Failed to find pattern '%s' in %s", regex.pattern, cublas_api_header_path)
+
+ config_env_vars.update({
+ 'TF_CUDA_PATHS': cuda_root,
+ 'TF_CUBLAS_VERSION': '.'.join(cublas_ver_parts),
+ })
+
+ if cudnn_root:
+ cudnn_version = get_software_version('cuDNN')
+ cudnn_maj_min_patch_ver = '.'.join(cudnn_version.split('.')[:3])
+
+ config_env_vars.update({
+ 'CUDNN_INSTALL_PATH': cudnn_root,
+ 'TF_CUDNN_VERSION': cudnn_maj_min_patch_ver,
+ })
+ else:
+ raise EasyBuildError("TensorFlow has a strict dependency on cuDNN if CUDA is enabled")
+ if nccl_root:
+ nccl_version = get_software_version('NCCL')
+ # Ignore the PKG_REVISION identifier if it exists (i.e., report 2.4.6 for 2.4.6-1 or 2.4.6-2)
+ nccl_version = nccl_version.split('-')[0]
+
+ if nccl_version == "default":
+ nccl_major = ''
+ nccl_minor = ''
+ nccl_patch = ''
+ with open(nccl_root+'/include/nccl.h', 'r') as nccl_header:
+ for line in nccl_header.readlines():
+ if '#define NCCL_MAJOR' in line:
+ nccl_major = line[line.rfind(' ')+1:-1]
+ if '#define NCCL_MINOR' in line:
+ nccl_minor = line[line.rfind(' ')+1:-1]
+ if '#define NCCL_PATCH' in line:
+ nccl_patch = line[line.rfind(' ')+1:-1]
+ if nccl_major and nccl_minor and nccl_patch != '':
+ nccl_version = nccl_major + '.' + nccl_minor + '.' + nccl_patch
+ config_env_vars.update({
+ 'NCCL_INSTALL_PATH': nccl_root,
+ })
+ else:
+ nccl_version = '1.3' # Use simple downloadable version
+ config_env_vars.update({
+ 'TF_NCCL_VERSION': nccl_version,
+ })
+ if tensorrt_root:
+ tensorrt_version = get_software_version('TensorRT')
+ config_env_vars.update({
+ 'TF_NEED_TENSORRT': '1',
+ 'TENSORRT_INSTALL_PATH': tensorrt_root,
+ 'TF_TENSORRT_VERSION': tensorrt_version,
+ })
+
+ configure_py_contents = read_file('configure.py')
+ for key, val in sorted(config_env_vars.items()):
+ if key.startswith('TF_') and key not in configure_py_contents:
+ self.log.warn('Did not find %s option in configure.py. Setting might not have any effect', key)
+ env.setvar(key, val)
+
+ # configure.py (called by configure script) already calls bazel to determine the bazel version
+ # Since 2.3.0 `bazel --version` is used which doesn't extract bazel, prior it did
+ # Hence make sure it doesn't extract into $HOME/.cache/bazel
+ if LooseVersion(self.version) < LooseVersion('2.3.0'):
+ regex_subs = [(r"('bazel', '--batch')",
+ r"\1, '--output_user_root=%s'" % self.output_user_root_dir)]
+ apply_regex_substitutions('configure.py', regex_subs)
+
+ cmd = self.cfg['preconfigopts'] + './configure ' + self.cfg['configopts']
+ run_cmd(cmd, log_all=True, simple=True)
+
+ def patch_crosstool_files(self):
+ """Patches the CROSSTOOL files to include EasyBuild provided compiler paths"""
+ inc_paths, lib_paths = [], []
+
+ gcc_root = get_software_root('GCCcore') or get_software_root('GCC')
+ if gcc_root:
+ gcc_lib64 = os.path.join(gcc_root, 'lib64')
+ lib_paths.append(gcc_lib64)
+
+ gcc_ver = get_software_version('GCCcore') or get_software_version('GCC')
+
+ # figure out location of GCC include files
+ # make sure we don't pick up the nvptx-none directory by looking for a specific include file
+ res = glob.glob(os.path.join(gcc_root, 'lib', 'gcc', '*', gcc_ver, 'include', 'immintrin.h'))
+ if res and len(res) == 1:
+ gcc_lib_inc = os.path.dirname(res[0])
+ inc_paths.append(gcc_lib_inc)
+ else:
+ raise EasyBuildError("Failed to pinpoint location of GCC include files: %s", res)
+
+ # make sure include-fixed directory is where we expect it to be
+ gcc_lib_inc_fixed = os.path.join(os.path.dirname(gcc_lib_inc), 'include-fixed')
+ if os.path.exists(gcc_lib_inc_fixed):
+ inc_paths.append(gcc_lib_inc_fixed)
+ else:
+ self.log.info("Derived directory %s does not exist, so discarding it", gcc_lib_inc_fixed)
+
+ # also check on location of include/c++/<gcc version> directory
+ gcc_cplusplus_inc = os.path.join(gcc_root, 'include', 'c++', gcc_ver)
+ if os.path.exists(gcc_cplusplus_inc):
+ inc_paths.append(gcc_cplusplus_inc)
+ else:
+ raise EasyBuildError("Derived directory %s does not exist", gcc_cplusplus_inc)
+ else:
+ raise EasyBuildError("Failed to determine installation prefix for GCC")
+
+ cuda_root = get_software_root('CUDA')
+ if cuda_root:
+ inc_paths.append(os.path.join(cuda_root, 'include'))
+ lib_paths.append(os.path.join(cuda_root, 'lib64'))
+
+ # fix hardcoded locations of compilers & tools
+ cxx_inc_dirs = ['cxx_builtin_include_directory: "%s"' % resolve_path(p) for p in inc_paths]
+ cxx_inc_dirs += ['cxx_builtin_include_directory: "%s"' % p for p in inc_paths]
+ regex_subs = [
+ (r'-B/usr/bin/', '-B%s %s' % (self.binutils_bin_path, ' '.join('-L%s/' % p for p in lib_paths))),
+ (r'(cxx_builtin_include_directory:).*', ''),
+ (r'^toolchain {', 'toolchain {\n' + '\n'.join(cxx_inc_dirs)),
+ ]
+ for tool in ['ar', 'cpp', 'dwp', 'gcc', 'gcov', 'ld', 'nm', 'objcopy', 'objdump', 'strip']:
+ path = which(tool)
+ if path:
+ regex_subs.append((os.path.join('/usr', 'bin', tool), path))
+ else:
+ raise EasyBuildError("Failed to determine path to '%s'", tool)
+
+ # -fPIE/-pie and -fPIC are not compatible, so patch out hardcoded occurences of -fPIE/-pie if -fPIC is used
+ if self.toolchain.options.get('pic', None):
+ regex_subs.extend([('-fPIE', '-fPIC'), ('"-pie"', '"-fPIC"')])
+
+ # patch all CROSSTOOL* scripts to fix hardcoding of locations of binutils/GCC binaries
+ for path, dirnames, filenames in os.walk(os.getcwd()):
+ for filename in filenames:
+ if filename.startswith('CROSSTOOL'):
+ full_path = os.path.join(path, filename)
+ self.log.info("Patching %s", full_path)
+ apply_regex_substitutions(full_path, regex_subs)
+
+ def build_step(self):
+ """Custom build procedure for TensorFlow."""
+
+ bazel_version = get_bazel_version()
+
+ # pre-create target installation directory
+ mkdir(os.path.join(self.installdir, self.pylibdir), parents=True)
+
+ # This seems to be no longer required since at least 2.0, likely also for older versions
+ if LooseVersion(self.version) < LooseVersion('2.0'):
+ self.patch_crosstool_files()
+
+ # Options passed to the bazel command
+ self.bazel_opts = [
+ '--output_user_root=%s' % self.output_user_root_dir,
+ ]
+ # Increase time to wait for bazel to start, available since 4.0+
+ if bazel_version >= '4.0.0':
+ self.bazel_opts.append('--local_startup_timeout_secs=300') # 5min
+
+ # Environment variables and values needed for Bazel actions.
+ action_env = {}
+ # A value of None is interpreted as using the invoking environments value
+ INHERIT = None # For better readability
+
+ jvm_max_memory = self.cfg['jvm_max_memory']
+ if jvm_max_memory:
+ jvm_startup_memory = min(512, int(jvm_max_memory))
+ self.bazel_opts.extend([
+ '--host_jvm_args=-Xms%sm' % jvm_startup_memory,
+ '--host_jvm_args=-Xmx%sm' % jvm_max_memory
+ ])
+
+ if self.toolchain.options.get('debug', None):
+ self.target_opts.append('--strip=never')
+ self.target_opts.append('--compilation_mode=dbg')
+ self.target_opts.append('--copt="-Og"')
+ else:
+ # build with optimization enabled
+ # cfr. https://docs.bazel.build/versions/master/user-manual.html#flag--compilation_mode
+ self.target_opts.append('--compilation_mode=opt')
+
+ # select 'opt' config section (this is *not* the same as --compilation_mode=opt!)
+ # https://docs.bazel.build/versions/master/user-manual.html#flag--config
+ self.target_opts.append('--config=opt')
+
+ # make Bazel print full command line + make it verbose on failures
+ # https://docs.bazel.build/versions/master/user-manual.html#flag--subcommands
+ # https://docs.bazel.build/versions/master/user-manual.html#flag--verbose_failures
+ self.target_opts.extend(['--subcommands', '--verbose_failures'])
+
+ self.target_opts.append('--jobs=%s' % self.cfg['parallel'])
+
+ if self.toolchain.options.get('pic', None):
+ self.target_opts.append('--copt="-fPIC"')
+
+ # include install location of Python packages in $PYTHONPATH,
+ # and specify that value of $PYTHONPATH should be passed down into Bazel build environment;
+ # this is required to make sure that Python packages included as extensions are found at build time;
+ # see also https://github.com/tensorflow/tensorflow/issues/22395
+ pythonpath = os.getenv('PYTHONPATH', '')
+ env.setvar('PYTHONPATH', os.pathsep.join([os.path.join(self.installdir, self.pylibdir), pythonpath]))
+
+ # Make TF find our modules. LD_LIBRARY_PATH gets automatically added by configure.py
+ cpaths, libpaths = self.system_libs_info[1:]
+ if cpaths:
+ action_env['CPATH'] = ':'.join(cpaths)
+ if libpaths:
+ action_env['LIBRARY_PATH'] = ':'.join(libpaths)
+ action_env['PYTHONPATH'] = INHERIT
+ # Also export $EBPYTHONPREFIXES to handle the multi-deps python setup
+ # See https://github.com/easybuilders/easybuild-easyblocks/pull/1664
+ if 'EBPYTHONPREFIXES' in os.environ:
+ action_env['EBPYTHONPREFIXES'] = INHERIT
+
+ # Ignore user environment for Python
+ action_env['PYTHONNOUSERSITE'] = '1'
+
+ # TF 2 (final) sets this in configure
+ if LooseVersion(self.version) < LooseVersion('2.0'):
+ if self._with_cuda:
+ self.target_opts.append('--config=cuda')
+
+ # note: using --config=mkl results in a significantly different build, with a different
+ # threading model (which may lead to thread oversubscription and significant performance loss,
+ # see https://github.com/easybuilders/easybuild-easyblocks/issues/2577) and different
+ # runtime behavior w.r.t. GPU vs CPU execution of functions like tf.matmul
+ # (see https://github.com/easybuilders/easybuild-easyconfigs/issues/14120),
+ # so make sure you really know you want to use this!
+
+ # auto-enable use of MKL-DNN/oneDNN and --config=mkl when possible if with_mkl_dnn is left unspecified;
+ # only do this for TensorFlow versions older than 2.4.0, since more recent versions
+ # oneDNN is used automatically for x86_64 systems (and mkl-dnn is no longer a dependency);
+ if self.cfg['with_mkl_dnn'] is None and LooseVersion(self.version) < LooseVersion('2.4.0'):
+ cpu_arch = get_cpu_architecture()
+ if cpu_arch == X86_64:
+ # Supported on x86 since forever
+ self.cfg['with_mkl_dnn'] = True
+ self.log.info("Auto-enabled use of MKL-DNN on %s CPU architecture", cpu_arch)
+ else:
+ self.log.info("Not enabling use of MKL-DNN on %s CPU architecture", cpu_arch)
+
+ # if mkl-dnn is listed as a dependency it is used
+ mkl_root = get_software_root('mkl-dnn')
+ if mkl_root:
+ self.target_opts.append('--config=mkl')
+ env.setvar('TF_MKL_ROOT', mkl_root)
+ elif self.cfg['with_mkl_dnn']:
+ # this makes TensorFlow use mkl-dnn (cfr. https://github.com/01org/mkl-dnn),
+ # and download it if needed
+ self.target_opts.append('--config=mkl')
+
+ # Use the same configuration (i.e. environment) for compiling and using host tools
+ # This means that our action_envs are (almost) always passed
+ # Fully removed in Bazel 6.0 and limited effect after at least 3.7 (see --host_action_env)
+ if bazel_version < '6.0.0':
+ self.target_opts.append('--distinct_host_configuration=false')
+
+ for key, value in sorted(action_env.items()):
+ option = key
+ if value is not None:
+ option += "='%s'" % value
+
+ self.target_opts.append('--action_env=' + option)
+ if bazel_version >= '3.7.0':
+ # Since Bazel 3.7 action_env only applies to the "target" environment, not the "host" environment
+ # As we are not cross-compiling we need both be the same -> Duplicate the setting to host_action_env
+ # See https://github.com/bazelbuild/bazel/commit/a463d9095386b22c121d20957222dbb44caef7d4
+ self.target_opts.append('--host_action_env=' + option)
+
+ # Compose final command
+ cmd = (
+ [self.cfg['prebuildopts']]
+ + ['bazel']
+ + self.bazel_opts
+ + ['build']
+ + self.target_opts
+ + [self.cfg['buildopts']]
+ # specify target of the build command as last argument
+ + ['//tensorflow/tools/pip_package:build_pip_package']
+ )
+
+ run_cmd(' '.join(cmd), log_all=True, simple=True, log_ok=True)
+
+ # run generated 'build_pip_package' script to build the .whl
+ cmd = "bazel-bin/tensorflow/tools/pip_package/build_pip_package %s" % self.builddir
+ run_cmd(cmd, log_all=True, simple=True, log_ok=True)
+
+ def test_step(self):
+ """Run TensorFlow unit tests"""
+ # IMPORTANT: This code allows experiments with running TF tests but may change
+ test_targets = self.cfg['test_targets']
+ if not test_targets:
+ self.log.info('No targets selected for tests. Set e.g. test_targets = ["//tensorflow/python/..."] '
+ 'to run TensorFlow tests.')
+ return
+ # Allow a string as the test_targets (useful for C&P testing from TF sources)
+ if not isinstance(test_targets, list):
+ test_targets = test_targets.split(' ')
+
+ test_opts = self.target_opts
+ test_opts.append('--test_output=errors') # (Additionally) show logs from failed tests
+ test_opts.append('--build_tests_only') # Don't build tests which won't be executed
+
+ # determine number of cores/GPUs to use for tests
+ max_num_test_jobs = int(self.cfg['test_max_parallel'] or self.cfg['parallel'])
+ if self._with_cuda:
+ if not which('nvidia-smi', on_error=IGNORE):
+ print_warning('Could not find nvidia-smi. Assuming a system without GPUs and skipping GPU tests!')
+ num_gpus_to_use = 0
+ elif os.environ.get('CUDA_VISIBLE_DEVICES') == '-1':
+ print_warning('GPUs explicitely disabled via CUDA_VISIBLE_DEVICES. Skipping GPU tests!')
+ num_gpus_to_use = 0
+ else:
+ # determine number of available GPUs via nvidia-smi command, fall back to just 1 GPU
+ # Note: Disable logging to also disable the error handling in run_cmd and do it explicitly below
+ (out, ec) = run_cmd("nvidia-smi --list-gpus", log_ok=False, log_all=False, regexp=False)
+ try:
+ if ec != 0:
+ raise RuntimeError("nvidia-smi returned exit code %s with output:\n%s" % (ec, out))
+ else:
+ self.log.info('nvidia-smi succeeded with output:\n%s' % out)
+ gpu_ct = sum(line.startswith('GPU ') for line in out.strip().split('\n'))
+ except (RuntimeError, ValueError) as err:
+ self.log.warning("Failed to get the number of GPUs on this system: %s", err)
+ gpu_ct = 0
+
+ if gpu_ct == 0:
+ print_warning('No GPUs found. Skipping GPU tests!')
+
+ num_gpus_to_use = min(max_num_test_jobs, gpu_ct)
+
+ # Can (likely) only run 1 test per GPU but don't need to limit CPU tests
+ num_test_jobs = {
+ CPU_DEVICE: max_num_test_jobs,
+ GPU_DEVICE: num_gpus_to_use,
+ }
+ else:
+ num_test_jobs = {
+ CPU_DEVICE: max_num_test_jobs,
+ GPU_DEVICE: 0,
+ }
+
+ cfg_testopts = {
+ CPU_DEVICE: self.cfg['testopts'],
+ GPU_DEVICE: self.cfg['testopts_gpu'],
+ }
+
+ devices = [CPU_DEVICE]
+ # Skip GPU tests if not build with CUDA or no test jobs set (e.g. due to no GPUs available)
+ if self._with_cuda and num_test_jobs[GPU_DEVICE]:
+ devices.append(GPU_DEVICE)
+
+ for device in devices:
+ # Determine tests to run
+ test_tag_filters_name = 'test_tag_filters_' + device
+ test_tag_filters = self.cfg[test_tag_filters_name]
+ if not test_tag_filters:
+ self.log.info('Skipping %s test because %s is not set', device, test_tag_filters_name)
+ continue
+ else:
+ self.log.info('Starting %s test', device)
+
+ current_test_opts = test_opts[:]
+ current_test_opts.append('--local_test_jobs=%s' % num_test_jobs[device])
+
+ # Add both build and test tag filters as done by the TF CI scripts
+ current_test_opts.extend("--%s_tag_filters='%s'" % (step, test_tag_filters) for step in ('test', 'build'))
+
+ # Disable all GPUs for the CPU tests, by setting $CUDA_VISIBLE_DEVICES to -1,
+ # otherwise TensorFlow will still use GPUs and fail.
+ # Only tests explicitely marked with the 'gpu' tag can run with GPUs visible;
+ # see https://github.com/tensorflow/tensorflow/issues/45664
+ if device == CPU_DEVICE:
+ current_test_opts.append("--test_env=CUDA_VISIBLE_DEVICES='-1'")
+ else:
+ # Propagate those environment variables to the GPU tests if they are set
+ important_cuda_env_vars = (
+ 'CUDA_CACHE_DISABLE',
+ 'CUDA_CACHE_MAXSIZE',
+ 'CUDA_CACHE_PATH',
+ 'CUDA_FORCE_PTX_JIT',
+ 'CUDA_DISABLE_PTX_JIT'
+ )
+ current_test_opts.extend(
+ '--test_env=' + var_name
+ for var_name in important_cuda_env_vars
+ if var_name in os.environ
+ )
+
+ # These are used by the `parallel_gpu_execute` helper script from TF
+ current_test_opts.append('--test_env=TF_GPU_COUNT=%s' % num_test_jobs[GPU_DEVICE])
+ current_test_opts.append('--test_env=TF_TESTS_PER_GPU=1')
+
+ # Append user specified options last
+ current_test_opts.append(cfg_testopts[device])
+
+ # Compose final command
+ cmd = ' '.join(
+ [self.cfg['pretestopts']]
+ + ['bazel']
+ + self.bazel_opts
+ + ['test']
+ + current_test_opts
+ + ['--']
+ # specify targets to test as last argument
+ + test_targets
+ )
+
+ stdouterr, ec = run_cmd(cmd, log_ok=False, simple=False)
+ if ec:
+ fail_msg = 'Tests on %s (cmd: %s) failed with exit code %s and output:\n%s' % (
+ device, cmd, ec, stdouterr)
+ self.log.warning(fail_msg)
+ # Try to enhance error message
+ failed_tests = []
+ failed_test_logs = dict()
+ # Bazel outputs failed tests like "//tensorflow/c:kernels_test FAILED in[...]"
+ for match in re.finditer(r'^(//[a-zA-Z_/:]+)\s+FAILED', stdouterr, re.MULTILINE):
+ test_name = match.group(1)
+ failed_tests.append(test_name)
+ # Logs are in a folder named after the test, e.g. tensorflow/c/kernels_test
+ test_folder = test_name[2:].replace(':', '/')
+ # Example file names:
+ # <prefix>/k8-opt/testlogs/tensorflow/c/kernels_test/test.log
+ # <prefix>/k8-opt/testlogs/tensorflow/c/kernels_test/shard_1_of_4/test_attempts/attempt_1.log
+ test_log_re = re.compile(r'.*\n(.*\n)?\s*(/.*/testlogs/%s/(/[^/]*)?test.log)' % test_folder)
+ log_match = test_log_re.match(stdouterr, match.end())
+ if log_match:
+ failed_test_logs[test_name] = log_match.group(2)
+ # When TF logs are found enhance the below error by additionally logging the details about failed tests
+ for test_name, log_path in failed_test_logs.items():
+ if os.path.exists(log_path):
+ self.log.warning('Test %s failed with output\n%s', test_name,
+ read_file(log_path, log_error=False))
+ if failed_tests:
+ failed_tests = sorted(set(failed_tests)) # Make unique to not count retries
+ fail_msg = 'At least %s %s tests failed:\n%s' % (
+ len(failed_tests), device, ', '.join(failed_tests))
+ self.report_test_failure(fail_msg)
+ else:
+ self.log.info('Tests on %s succeeded with output:\n%s', device, stdouterr)
+
+ def install_step(self):
+ """Custom install procedure for TensorFlow."""
+ # find .whl file that was built, and install it using 'pip install'
+ if ("-rc" in self.version):
+ whl_version = self.version.replace("-rc", "rc")
+ else:
+ whl_version = self.version
+
+ whl_paths = glob.glob(os.path.join(self.builddir, 'tensorflow-%s-*.whl' % whl_version))
+ if not whl_paths:
+ whl_paths = glob.glob(os.path.join(self.builddir, 'tensorflow-*.whl'))
+ if len(whl_paths) == 1:
+ # --ignore-installed is required to ensure *this* wheel is installed
+ cmd = "pip install --ignore-installed --prefix=%s %s" % (self.installdir, whl_paths[0])
+
+ # if extensions are listed, assume they will provide all required dependencies,
+ # so use --no-deps to prevent pip from downloading & installing them
+ if self.cfg['exts_list']:
+ cmd += ' --no-deps'
+
+ run_cmd(cmd, log_all=True, simple=True, log_ok=True)
+ else:
+ raise EasyBuildError("Failed to isolate built .whl in %s: %s", whl_paths, self.builddir)
+
+ # Fix for https://github.com/tensorflow/tensorflow/issues/6341 on Python < 3.3
+ # If the site-packages/google/__init__.py file is missing, make it an empty file.
+ # This fixes the "No module named google.protobuf" error that sometimes shows up during sanity_check
+ # For Python >= 3.3 the logic is reversed: The __init__.py must not exist.
+ # See e.g. http://python-notes.curiousefficiency.org/en/latest/python_concepts/import_traps.html
+ google_protobuf_dir = os.path.join(self.installdir, self.pylibdir, 'google', 'protobuf')
+ google_init_file = os.path.join(self.installdir, self.pylibdir, 'google', '__init__.py')
+ if LooseVersion(det_python_version(self.python_cmd)) < LooseVersion('3.3'):
+ if os.path.isdir(google_protobuf_dir) and not is_readable(google_init_file):
+ self.log.debug("Creating (empty) missing %s", google_init_file)
+ write_file(google_init_file, '')
+ else:
+ if os.path.exists(google_init_file):
+ self.log.debug("Removing %s for Python >= 3.3", google_init_file)
+ remove_file(google_init_file)
+
+ # Fix cuda header paths
+ # This is needed for building custom TensorFlow ops
+ if LooseVersion(self.version) < LooseVersion('1.14'):
+ pyshortver = '.'.join(get_software_version('Python').split('.')[:2])
+ regex_subs = [(r'#include "cuda/include/', r'#include "')]
+ base_path = os.path.join(self.installdir, 'lib', 'python%s' % pyshortver, 'site-packages', 'tensorflow',
+ 'include', 'tensorflow')
+ for header in glob.glob(os.path.join(base_path, 'stream_executor', 'cuda', 'cuda*.h')) + glob.glob(
+ os.path.join(base_path, 'core', 'util', 'cuda*.h')):
+ apply_regex_substitutions(header, regex_subs)
+
+ def sanity_check_step(self):
+ """Custom sanity check for TensorFlow."""
+ if self.python_cmd is None:
+ self.prepare_python()
+
+ custom_paths = {
+ 'files': ['bin/tensorboard'],
+ 'dirs': [self.pylibdir],
+ }
+
+ custom_commands = [
+ "%s -c 'import tensorflow'" % self.python_cmd,
+ # tf_should_use importsweakref.finalize, which requires backports.weakref for Python < 3.4
+ "%s -c 'from tensorflow.python.util import tf_should_use'" % self.python_cmd,
+ ]
+ res = super(EB_TensorFlow, self).sanity_check_step(custom_paths=custom_paths, custom_commands=custom_commands)
+
+ # test installation using MNIST tutorial examples
+ if self.cfg['runtest']:
+ pythonpath = os.getenv('PYTHONPATH', '')
+ env.setvar('PYTHONPATH', os.pathsep.join([os.path.join(self.installdir, self.pylibdir), pythonpath]))
+
+ mnist_pys = []
+
+ if LooseVersion(self.version) < LooseVersion('2.0'):
+ mnist_pys.append('mnist_with_summaries.py')
+
+ if LooseVersion(self.version) < LooseVersion('1.13'):
+ # mnist_softmax.py was removed in TensorFlow 1.13.x
+ mnist_pys.append('mnist_softmax.py')
+
+ for mnist_py in mnist_pys:
+ datadir = tempfile.mkdtemp(suffix='-tf-%s-data' % os.path.splitext(mnist_py)[0])
+ logdir = tempfile.mkdtemp(suffix='-tf-%s-logs' % os.path.splitext(mnist_py)[0])
+ mnist_py = os.path.join(self.start_dir, 'tensorflow', 'examples', 'tutorials', 'mnist', mnist_py)
+ cmd = "%s %s --data_dir %s --log_dir %s" % (self.python_cmd, mnist_py, datadir, logdir)
+ run_cmd(cmd, log_all=True, simple=True, log_ok=True)
+
+ # run test script (if any)
+ if self.test_script:
+ # copy test script to build dir before running it, to avoid that a file named 'tensorflow.py'
+ # (a customized TensorFlow easyblock for example) breaks 'import tensorflow'
+ test_script = os.path.join(self.builddir, os.path.basename(self.test_script))
+ copy_file(self.test_script, test_script)
+
+ run_cmd("python %s" % test_script, log_all=True, simple=True, log_ok=True)
+
+ return res
diff --git a/Custom_Hooks/eb_hooks.py b/Custom_Hooks/eb_hooks.py
index 618d0a26ecc170b0af990b2a1e3921a64f3359a5..3f94d59a14766fc9dc6c1d917ced2de0b5d8a711 100644
--- a/Custom_Hooks/eb_hooks.py
+++ b/Custom_Hooks/eb_hooks.py
@@ -66,6 +66,7 @@ VETOED_INSTALLATIONS = {
'impi', 'impi-settings',
'BullMPI', 'BullMPI-settings'
],
+ 'jureca_spr': ['BullMPI', 'BullMPI-settings'],
'jusuf': ['impi', 'impi-settings', 'BullMPI', 'BullMPI-settings'],
'hdfml': ['BullMPI', 'BullMPI-settings'],
'deep': ['BullMPI', 'BullMPI-settings'],
diff --git a/Custom_MNS/flexible_custom_hierarchical_mns.py b/Custom_MNS/flexible_custom_hierarchical_mns.py
index 8e102c05052bdc84e624c70376f2e6a451ed74a0..ab4e2e24a6db6a021a93c4e6b841b0b56ca2fbf3 100644
--- a/Custom_MNS/flexible_custom_hierarchical_mns.py
+++ b/Custom_MNS/flexible_custom_hierarchical_mns.py
@@ -50,7 +50,7 @@ COMP_RELEVANT_VERSIONS = {
# Allow to reuse the stacks from other MPIs
SWAPPABLE_MPIS = {
'BullMPI': ('OpenMPI', None),
- 'impi': ('psmpi', '5.6'),
+ 'impi': ('psmpi', '5'),
}
# MPI relevant version numbers
diff --git a/Golden_Repo/a/ADIOS2/ADIOS2-2.8.3-foss-2022a.eb b/Golden_Repo/a/ADIOS2/ADIOS2-2.8.3-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..816bcaaffc5cb6de487b1a1443071f3b7042a4ac
--- /dev/null
+++ b/Golden_Repo/a/ADIOS2/ADIOS2-2.8.3-foss-2022a.eb
@@ -0,0 +1,163 @@
+easyblock = 'CMakeMake'
+
+name = 'ADIOS2'
+version = '2.8.3'
+
+homepage = 'https://www.olcf.ornl.gov/center-projects/adios/'
+description = """The Adaptable IO System (ADIOS) provides a simple,
+flexible way for scientists to describe the data in their code that may
+need to be written, read, or processed outside of the running
+simulation."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': False}
+
+github_account = 'ornladios'
+source_urls = [GITHUB_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = [
+ {'v2.8.3.tar.gz': '4906ab1899721c41dd918dddb039ba2848a1fb0cf84f3a563a1179b9d6ee0d9f'},
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('zlib', '1.2.12'),
+ ('bzip2', '1.0.8'),
+ ('Szip', '2.1.1'),
+ ('SZ', '2.1.12.5'),
+ ('zfp', '0.5.5'),
+ ('Blosc', '1.21.3'),
+ ('HDF5', '1.12.2'),
+ ('mpi4py', '3.1.4'),
+ ('libpng', '1.6.37'),
+ ('ZeroMQ', '4.3.4'),
+ ('nlohmann_json', '3.10.5'),
+ ('pybind11', '2.9.2'),
+]
+
+separate_build_dir = True
+
+configopts = "-DCMAKE_VERBOSE_MAKEFILE=ON "
+
+configopts += "-DADIOS2_USE_Fortran=ON "
+configopts += "-DADIOS2_USE_MPI=ON "
+
+# Examples/Testing
+configopts += "-DADIOS2_BUILD_EXAMPLES=OFF "
+configopts += "-DADIOS2_BUILD_EXAMPLES_EXPERIMENTAL=OFF "
+configopts += "-DADIOS2_BUILD_TESTING=OFF "
+
+# Compression
+configopts += "-DADIOS2_USE_BZip2=ON "
+configopts += "-DBZIP2_DIR=${EBROOTBZIP2} "
+
+configopts += "-DADIOS2_USE_PNG=ON "
+configopts += "-DPNG_DIR=${EBROOTLIBPNG} "
+
+configopts += "-DADIOS2_USE_SZ=ON "
+configopts += "-DSZ_DIR=${EBROOTSZ} "
+
+configopts += "-DADIOS2_USE_ZFP=ON "
+configopts += "-DZFP_DIR=${EBROOTZFP} "
+
+configopts += "-DADIOS2_USE_Blosc=ON "
+configopts += "-DBLOSC_DIR=${EBROOTBLOSC} "
+
+configopts += "-DZLIB_DIR=${EBROOTZLIB} "
+configopts += "-DADIOS2_USE_MGARD=OFF "
+
+# HDF5
+configopts += "-DADIOS2_USE_HDF5=ON "
+configopts += "-DHDF5_DIR=${EBROOTHDF5} "
+
+# ZeroMQ
+configopts += "-DADIOS2_USE_ZeroMQ=ON "
+configopts += "-DZeroMQ_DIR=${EBROOTZEROMQ} "
+
+# Python
+configopts += "-DADIOS2_USE_Python=ON "
+configopts += "-DPython_DIR=${EBROOTPYTHON} "
+
+# System Virtual Shared Memory
+configopts += "-DADIOS2_USE_SysVShMem=ON "
+
+# Strong Staging Coupler
+# https://adios2.readthedocs.io/en/latest/engines/engines.html#ssc-strong-staging-coupler
+configopts += "-DADIOS2_USE_SSC=ON "
+
+# Sustainable Staging Transport
+# https://adios2.readthedocs.io/en/latest/engines/engines.html#sst-sustainable-staging-transport
+configopts += "-DADIOS2_USE_SST=ON "
+# Can optionally use LibFabric for RDMA transport: if -DLIBFABRIC_ROOT=<path> is set.
+
+# DataMan
+# https://adios2.readthedocs.io/en/latest/engines/engines.html#dataman-for-wide-area-network-data-staging
+configopts += "-DADIOS2_USE_DataMan=ON "
+
+# DataSpaces (mind. version 1.8)
+configopts += "-DADIOS2_USE_DataSpaces=OFF "
+
+# external libs
+configopts += "-DADIOS2_USE_EXTERNAL_PYBIND11=ON "
+configopts += "-Dpybind11_DIR=${EBROOTPYBIND11} "
+configopts += "-DADIOS2_USE_EXTERNAL_NLOHMANN_JSON=ON "
+configopts += "-Dnlohmann_json_DIR=${EBROOTNLOHMANNMINJSON} "
+
+# more options
+configopts += "-DADIOS2_USE_IME=OFF "
+configopts += "-DADIOS2_USE_Profiling=OFF "
+configopts += "-DADIOS2_USE_Table=OFF "
+# configopts += "-DADIOS2_USE_Endian_Reverse=ON "
+
+runtest = False
+
+# create pkgconfig files
+postinstallcmds = [
+ 'ln -s %(installdir)s/lib64 %(installdir)s/lib',
+ 'mkdir %(installdir)s/lib/pkgconfig',
+ """echo -e "Name: adios2
+Description: ADIOS2 I/O library
+Version: %(version)s
+Requires: bzip2, zfp, sz, libpng, blosc
+Libs: $(%(installdir)s/bin/adios2-config --c-libs)
+Cflags: $(%(installdir)s/bin/adios2-config --c-flags)" > %(installdir)s/lib/pkgconfig/adios2.pc""",
+ """echo -e "Name: adios2_cxx
+Description: ADIOS2 I/O library (C++)
+Version: %(version)s
+Libs: $(%(installdir)s/bin/adios2-config --cxx-libs)
+Cflags: $(%(installdir)s/bin/adios2-config --cxx-flags)" > %(installdir)s/lib/pkgconfig/adios2_cxx.pc""",
+ """echo -e "Name: adios2_f
+Description: ADIOS2 I/O library (Fortran)
+Version: %(version)s
+Libs: $(%(installdir)s/bin/adios2-config --fortran-libs)
+Cflags: $(%(installdir)s/bin/adios2-config --fortran-flags)" > %(installdir)s/lib/pkgconfig/adios2_f.pc""",
+]
+
+sanity_check_paths = {
+ 'files': [
+ 'bin/adios2-config', 'bin/bpls', 'bin/bp4dbg',
+ 'include/adios2.h', 'include/adios2_c.h', 'include/adios2/fortran/adios2.mod',
+ 'lib64/libadios2_core.so', 'lib64/libadios2_core_mpi.so', 'lib64/cmake/adios2/adios2-config.cmake',
+ 'lib64/libadios2_c.so', 'lib64/libadios2_c_mpi.so', 'lib64/libadios2_cxx11.so',
+ 'lib64/libadios2_cxx11_mpi.so', 'lib64/libadios2_fortran.so', 'lib64/libadios2_fortran_mpi.so'
+ ],
+ 'dirs': ['bin', 'include', 'lib']
+}
+
+# modextrapaths = {
+# 'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages',
+# }
+
+modextravars = {
+ 'ADIOS2_PKGCONFIG_LIBS': 'adios2',
+ 'ADIOS2_CXX_PKGCONFIG_LIBS': 'adios2_cxx',
+ 'ADIOS2_FORTRAN_PKGCONFIG_LIBS': 'adios2_f',
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/a/ADIOS2/ADIOS2-2.8.3-gpsmkl-2022a.eb b/Golden_Repo/a/ADIOS2/ADIOS2-2.8.3-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..cfae237b72d033e5a0ca02c85f3eb338cdc3e283
--- /dev/null
+++ b/Golden_Repo/a/ADIOS2/ADIOS2-2.8.3-gpsmkl-2022a.eb
@@ -0,0 +1,163 @@
+easyblock = 'CMakeMake'
+
+name = 'ADIOS2'
+version = '2.8.3'
+
+homepage = 'https://www.olcf.ornl.gov/center-projects/adios/'
+description = """The Adaptable IO System (ADIOS) provides a simple,
+flexible way for scientists to describe the data in their code that may
+need to be written, read, or processed outside of the running
+simulation."""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': False}
+
+github_account = 'ornladios'
+source_urls = [GITHUB_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = [
+ {'v2.8.3.tar.gz': '4906ab1899721c41dd918dddb039ba2848a1fb0cf84f3a563a1179b9d6ee0d9f'},
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('zlib', '1.2.12'),
+ ('bzip2', '1.0.8'),
+ ('Szip', '2.1.1'),
+ ('SZ', '2.1.12.5'),
+ ('zfp', '0.5.5'),
+ ('Blosc', '1.21.3'),
+ ('HDF5', '1.12.2'),
+ ('mpi4py', '3.1.4'),
+ ('libpng', '1.6.37'),
+ ('ZeroMQ', '4.3.4'),
+ ('nlohmann_json', '3.10.5'),
+ ('pybind11', '2.9.2'),
+]
+
+separate_build_dir = True
+
+configopts = "-DCMAKE_VERBOSE_MAKEFILE=ON "
+
+configopts += "-DADIOS2_USE_Fortran=ON "
+configopts += "-DADIOS2_USE_MPI=ON "
+
+# Examples/Testing
+configopts += "-DADIOS2_BUILD_EXAMPLES=OFF "
+configopts += "-DADIOS2_BUILD_EXAMPLES_EXPERIMENTAL=OFF "
+configopts += "-DADIOS2_BUILD_TESTING=OFF "
+
+# Compression
+configopts += "-DADIOS2_USE_BZip2=ON "
+configopts += "-DBZIP2_DIR=${EBROOTBZIP2} "
+
+configopts += "-DADIOS2_USE_PNG=ON "
+configopts += "-DPNG_DIR=${EBROOTLIBPNG} "
+
+configopts += "-DADIOS2_USE_SZ=ON "
+configopts += "-DSZ_DIR=${EBROOTSZ} "
+
+configopts += "-DADIOS2_USE_ZFP=ON "
+configopts += "-DZFP_DIR=${EBROOTZFP} "
+
+configopts += "-DADIOS2_USE_Blosc=ON "
+configopts += "-DBLOSC_DIR=${EBROOTBLOSC} "
+
+configopts += "-DZLIB_DIR=${EBROOTZLIB} "
+configopts += "-DADIOS2_USE_MGARD=OFF "
+
+# HDF5
+configopts += "-DADIOS2_USE_HDF5=ON "
+configopts += "-DHDF5_DIR=${EBROOTHDF5} "
+
+# ZeroMQ
+configopts += "-DADIOS2_USE_ZeroMQ=ON "
+configopts += "-DZeroMQ_DIR=${EBROOTZEROMQ} "
+
+# Python
+configopts += "-DADIOS2_USE_Python=ON "
+configopts += "-DPython_DIR=${EBROOTPYTHON} "
+
+# System Virtual Shared Memory
+configopts += "-DADIOS2_USE_SysVShMem=ON "
+
+# Strong Staging Coupler
+# https://adios2.readthedocs.io/en/latest/engines/engines.html#ssc-strong-staging-coupler
+configopts += "-DADIOS2_USE_SSC=ON "
+
+# Sustainable Staging Transport
+# https://adios2.readthedocs.io/en/latest/engines/engines.html#sst-sustainable-staging-transport
+configopts += "-DADIOS2_USE_SST=ON "
+# Can optionally use LibFabric for RDMA transport: if -DLIBFABRIC_ROOT=<path> is set.
+
+# DataMan
+# https://adios2.readthedocs.io/en/latest/engines/engines.html#dataman-for-wide-area-network-data-staging
+configopts += "-DADIOS2_USE_DataMan=ON "
+
+# DataSpaces (mind. version 1.8)
+configopts += "-DADIOS2_USE_DataSpaces=OFF "
+
+# external libs
+configopts += "-DADIOS2_USE_EXTERNAL_PYBIND11=ON "
+configopts += "-Dpybind11_DIR=${EBROOTPYBIND11} "
+configopts += "-DADIOS2_USE_EXTERNAL_NLOHMANN_JSON=ON "
+configopts += "-Dnlohmann_json_DIR=${EBROOTNLOHMANNMINJSON} "
+
+# more options
+configopts += "-DADIOS2_USE_IME=OFF "
+configopts += "-DADIOS2_USE_Profiling=OFF "
+configopts += "-DADIOS2_USE_Table=OFF "
+# configopts += "-DADIOS2_USE_Endian_Reverse=ON "
+
+runtest = False
+
+# create pkgconfig files
+postinstallcmds = [
+ 'ln -s %(installdir)s/lib64 %(installdir)s/lib',
+ 'mkdir %(installdir)s/lib/pkgconfig',
+ """echo -e "Name: adios2
+Description: ADIOS2 I/O library
+Version: %(version)s
+Requires: bzip2, zfp, sz, libpng, blosc
+Libs: $(%(installdir)s/bin/adios2-config --c-libs)
+Cflags: $(%(installdir)s/bin/adios2-config --c-flags)" > %(installdir)s/lib/pkgconfig/adios2.pc""",
+ """echo -e "Name: adios2_cxx
+Description: ADIOS2 I/O library (C++)
+Version: %(version)s
+Libs: $(%(installdir)s/bin/adios2-config --cxx-libs)
+Cflags: $(%(installdir)s/bin/adios2-config --cxx-flags)" > %(installdir)s/lib/pkgconfig/adios2_cxx.pc""",
+ """echo -e "Name: adios2_f
+Description: ADIOS2 I/O library (Fortran)
+Version: %(version)s
+Libs: $(%(installdir)s/bin/adios2-config --fortran-libs)
+Cflags: $(%(installdir)s/bin/adios2-config --fortran-flags)" > %(installdir)s/lib/pkgconfig/adios2_f.pc""",
+]
+
+sanity_check_paths = {
+ 'files': [
+ 'bin/adios2-config', 'bin/bpls', 'bin/bp4dbg',
+ 'include/adios2.h', 'include/adios2_c.h', 'include/adios2/fortran/adios2.mod',
+ 'lib64/libadios2_core.so', 'lib64/libadios2_core_mpi.so', 'lib64/cmake/adios2/adios2-config.cmake',
+ 'lib64/libadios2_c.so', 'lib64/libadios2_c_mpi.so', 'lib64/libadios2_cxx11.so',
+ 'lib64/libadios2_cxx11_mpi.so', 'lib64/libadios2_fortran.so', 'lib64/libadios2_fortran_mpi.so'
+ ],
+ 'dirs': ['bin', 'include', 'lib']
+}
+
+# modextrapaths = {
+# 'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages',
+# }
+
+modextravars = {
+ 'ADIOS2_PKGCONFIG_LIBS': 'adios2',
+ 'ADIOS2_CXX_PKGCONFIG_LIBS': 'adios2_cxx',
+ 'ADIOS2_FORTRAN_PKGCONFIG_LIBS': 'adios2_f',
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-foss-2022a.eb b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..639db5be50e738c04e224e2b2576f2c0dee0dd7b
--- /dev/null
+++ b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-foss-2022a.eb
@@ -0,0 +1,60 @@
+easyblock = 'ConfigureMake'
+
+name = 'ARPACK-NG'
+
+version = '3.8.0'
+
+homepage = 'http://forge.scilab.org/index.php/p/arpack-ng/'
+
+description = """ARPACK-NG is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
+
+libarpack.a and libparpack.a have been installed in $EBROOTARPACKMINNG.
+
+In addition the variables ARPACK_ROOT, ARPACK_LIB, PARPACK_ROOT, and PARPACK_LIB are set.
+
+"""
+
+examples = 'Examples can be found in $ARPACK_ROOT/EXAMPLES'
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'opt': True, 'optarch': True, 'pic': True, 'usempi': True}
+source_urls = ['https://github.com/opencollab/arpack-ng/releases/tag/']
+sources = ["%(version)s.tar.gz"]
+
+patches = [
+ 'ARPACK-NG-%(version)s-install-arpack-examples_gpsmkl.patch'
+]
+
+checksums = [
+ 'ada5aeb3878874383307239c9235b716a8a170c6d096a6625bfd529844df003d', # 3.8.0.tar.gz
+ # ARPACK-NG-3.8.0-install-arpack-examples_gpsmkl.patch
+ 'edf121fcaf5f2bf17c8395d5c4aae35d106eb3746b29561927f53ed6d3769707',
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0')
+]
+
+preconfigopts = 'sh bootstrap &&'
+
+configopts = '--enable-mpi --with-pic --enable-static --with-blas="$LIBBLAS" --with-lapack="$LIBLAPACK"'
+
+postinstallcmds = [
+ "cp -r EXAMPLES %(installdir)s/EXAMPLES",
+ "cp -r PARPACK/EXAMPLES/MPI %(installdir)s/EXAMPLES/PARPACK",
+]
+
+sanity_check_paths = {
+ 'files': ["lib/libarpack.a", "lib/libarpack.%s" % SHLIB_EXT, "lib/libparpack.a", "lib/libparpack.%s" % SHLIB_EXT],
+ 'dirs': []
+}
+
+modextravars = {
+ 'ARPACK_ROOT': '%(installdir)s',
+ 'PARPACK_ROOT': '%(installdir)s',
+ 'ARPACK_LIB': '%(installdir)s/lib',
+ 'PARPACK_LIB': '%(installdir)s/lib'
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-gcccoremkl-11.3.0-2022.1.0-nompi.eb b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-gcccoremkl-11.3.0-2022.1.0-nompi.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5dbaa878d3512cbce6ca945aa68e9475c27ab265
--- /dev/null
+++ b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-gcccoremkl-11.3.0-2022.1.0-nompi.eb
@@ -0,0 +1,44 @@
+easyblock = 'ConfigureMake'
+name = 'ARPACK-NG'
+version = '3.8.0'
+versionsuffix = '-nompi'
+homepage = 'http://forge.scilab.org/index.php/p/arpack-ng/'
+
+description = """ARPACK-NG is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
+
+libarpack.a has been installed in $EBROOTARPACKMINNG.
+
+"""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+
+toolchainopts = {'opt': True, 'optarch': True, 'pic': True}
+source_urls = ['https://github.com/opencollab/arpack-ng/archive/']
+sources = ["%(version)s.tar.gz"]
+
+checksums = ['ada5aeb3878874383307239c9235b716a8a170c6d096a6625bfd529844df003d']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0')
+]
+
+# We hide it since this should be used just for Jupyter and the MPI version should be preferred for normal cases
+
+hidden = True
+
+preconfigopts = 'sh bootstrap &&'
+configopts = '--with-pic --with-blas="$LIBBLAS" --with-lapack="$LIBLAPACK"'
+
+sanity_check_paths = {
+ 'files': ["lib/libarpack.%s" % SHLIB_EXT, ],
+ 'dirs': []
+}
+
+modextravars = {
+ 'ARPACK_ROOT': '%(installdir)s',
+ 'ARPACK_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-install-arpack-examples.patch b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-install-arpack-examples.patch
new file mode 100644
index 0000000000000000000000000000000000000000..8ec3b0762eea851e0e27c6c0f1c003a43ae8fefb
--- /dev/null
+++ b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-install-arpack-examples.patch
@@ -0,0 +1,538 @@
+--- arpack-ng-3.8.0/PARPACK_CHANGES 2021-06-30 09:57:39.220219000 +0200
++++ arpack-ng-3.8.0-ok/PARPACK_CHANGES 2021-06-30 10:25:30.148960874 +0200
+@@ -334,4 +334,6 @@
+ 36. 09/18/2016 p*apps.f and p*aitr.f contain condition to fetch machine epsilon.
+ When different p*aupd call use communicator with different number of CPU these
+ conditions cause deadlock. Variables inside conditions are moved to global
+- to be reset each first iteration
+\ No newline at end of file
++ to be reset each first iteration
++
++
+--- arpack-ng-3.8.0/EXAMPLES/BAND/Makefile_band_intel 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/BAND/Makefile_band_intel 2021-06-30 10:36:04.492823000 +0200
+@@ -0,0 +1,159 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++cnbdr1_OBJECTS = cnbdr1.o cnband.o
++cnbdr2_OBJECTS = cnbdr2.o cnband.o
++cnbdr3_OBJECTS = cnbdr3.o cnband.o
++cnbdr4_OBJECTS = cnbdr4.o cnband.o
++dnbdr1_OBJECTS = dnbdr1.o dnband.o
++dnbdr2_OBJECTS = dnbdr2.o dnband.o
++dnbdr3_OBJECTS = dnbdr3.o dnband.o
++dnbdr4_OBJECTS = dnbdr4.o dnband.o
++dnbdr5_OBJECTS = dnbdr5.o dnband.o
++dnbdr6_OBJECTS = dnbdr6.o dnband.o
++dsbdr1_OBJECTS = dsbdr1.o dsband.o
++dsbdr2_OBJECTS = dsbdr2.o dsband.o
++dsbdr3_OBJECTS = dsbdr3.o dsband.o
++dsbdr4_OBJECTS = dsbdr4.o dsband.o
++dsbdr5_OBJECTS = dsbdr5.o dsband.o
++dsbdr6_OBJECTS = dsbdr6.o dsband.o
++snbdr1_OBJECTS = snbdr1.o snband.o
++snbdr2_OBJECTS = snbdr2.o snband.o
++snbdr3_OBJECTS = snbdr3.o snband.o
++snbdr4_OBJECTS = snbdr4.o snband.o
++snbdr5_OBJECTS = snbdr5.o snband.o
++snbdr6_OBJECTS = snbdr6.o snband.o
++ssbdr1_OBJECTS = ssbdr1.o ssband.o
++ssbdr2_OBJECTS = ssbdr2.o ssband.o
++ssbdr3_OBJECTS = ssbdr3.o ssband.o
++ssbdr4_OBJECTS = ssbdr4.o ssband.o
++ssbdr5_OBJECTS = ssbdr5.o ssband.o
++ssbdr6_OBJECTS = ssbdr6.o ssband.o
++znbdr1_OBJECTS = znbdr1.o znband.o
++znbdr2_OBJECTS = znbdr2.o znband.o
++znbdr3_OBJECTS = znbdr3.o znband.o
++znbdr4_OBJECTS = znbdr4.o znband.o
++
++all : cnbdr1 cnbdr2 cnbdr3 cnbdr4 \
++ dnbdr1 dnbdr2 dnbdr3 dnbdr4 dnbdr5 dnbdr6 \
++ dsbdr1 dsbdr2 dsbdr3 dsbdr4 dsbdr5 dsbdr6 \
++ snbdr1 snbdr2 snbdr3 snbdr4 snbdr5 snbdr6 \
++ ssbdr1 ssbdr2 ssbdr3 ssbdr4 ssbdr5 ssbdr6 \
++ znbdr1 znbdr2 znbdr3 znbdr4
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++cnbdr1 : $(cnbdr1_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cnbdr2 : $(cnbdr2_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cnbdr3 : $(cnbdr3_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cnbdr4 : $(cnbdr4_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr1 : $(dnbdr1_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr2 : $(dnbdr2_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr3 : $(dnbdr3_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr4 : $(dnbdr4_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr5 : $(dnbdr5_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr6 : $(dnbdr6_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr1 : $(dsbdr1_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr2 : $(dsbdr2_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr3 : $(dsbdr3_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr4 : $(dsbdr4_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr5 : $(dsbdr5_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr6 : $(dsbdr6_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr1 : $(snbdr1_OBJECTS)
++ $(F77LD) -o $@ $(snbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr2 : $(snbdr2_OBJECTS)
++ $(F77LD) -o $@ $(snbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr3 : $(snbdr3_OBJECTS)
++ $(F77LD) -o $@ $(snbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr4 : $(snbdr4_OBJECTS)
++ $(F77LD) -o $@ $(snbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr5 : $(snbdr5_OBJECTS)
++ $(F77LD) -o $@ $(snbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr6 : $(snbdr6_OBJECTS)
++ $(F77LD) -o $@ $(snbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr1 : $(ssbdr1_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr2 : $(ssbdr2_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr3 : $(ssbdr3_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr4 : $(ssbdr4_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr5 : $(ssbdr5_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr6 : $(ssbdr6_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr1 : $(znbdr1_OBJECTS)
++ $(F77LD) -o $@ $(znbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr2 : $(znbdr2_OBJECTS)
++ $(F77LD) -o $@ $(znbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr3 : $(znbdr3_OBJECTS)
++ $(F77LD) -o $@ $(znbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr4 : $(znbdr4_OBJECTS)
++ $(F77LD) -o $@ $(znbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/COMPLEX/Makefile_complex_intel 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/COMPLEX/Makefile_complex_intel 2021-06-30 10:36:04.496200000 +0200
+@@ -0,0 +1,59 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++cndrv1_OBJECTS = cndrv1.o
++cndrv2_OBJECTS = cndrv2.o
++cndrv3_OBJECTS = cndrv3.o
++cndrv4_OBJECTS = cndrv4.o
++zndrv1_OBJECTS = zndrv1.o
++zndrv2_OBJECTS = zndrv2.o
++zndrv3_OBJECTS = zndrv3.o
++zndrv4_OBJECTS = zndrv4.o
++
++all : cndrv1 cndrv2 cndrv3 cndrv4 \
++ zndrv1 zndrv2 zndrv3 zndrv4
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++cndrv1 : $(cndrv1_OBJECTS)
++ $(F77LD) -o $@ $(cndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cndrv2 : $(cndrv2_OBJECTS)
++ $(F77LD) -o $@ $(cndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cndrv3 : $(cndrv3_OBJECTS)
++ $(F77LD) -o $@ $(cndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cndrv4 : $(cndrv4_OBJECTS)
++ $(F77LD) -o $@ $(cndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv1 : $(zndrv1_OBJECTS)
++ $(F77LD) -o $@ $(zndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv2 : $(zndrv2_OBJECTS)
++ $(F77LD) -o $@ $(zndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv3 : $(zndrv3_OBJECTS)
++ $(F77LD) -o $@ $(zndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv4 : $(zndrv4_OBJECTS)
++ $(F77LD) -o $@ $(zndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/NONSYM/Makefile_nonsym_intel 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/NONSYM/Makefile_nonsym_intel 2021-06-30 10:36:04.539153000 +0200
+@@ -0,0 +1,75 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++dndrv1_OBJECTS = dndrv1.o
++dndrv2_OBJECTS = dndrv2.o
++dndrv3_OBJECTS = dndrv3.o
++dndrv4_OBJECTS = dndrv4.o
++dndrv5_OBJECTS = dndrv5.o
++dndrv6_OBJECTS = dndrv6.o
++sndrv1_OBJECTS = sndrv1.o
++sndrv2_OBJECTS = sndrv2.o
++sndrv3_OBJECTS = sndrv3.o
++sndrv4_OBJECTS = sndrv4.o
++sndrv5_OBJECTS = sndrv5.o
++sndrv6_OBJECTS = sndrv6.o
++
++all : dndrv1 dndrv2 dndrv3 dndrv4 dndrv5 dndrv6 \
++ sndrv1 sndrv2 sndrv3 sndrv4 sndrv5 sndrv6
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++dndrv1 : $(dndrv1_OBJECTS)
++ $(F77LD) -o $@ $(dndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv2 : $(dndrv2_OBJECTS)
++ $(F77LD) -o $@ $(dndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv3 : $(dndrv3_OBJECTS)
++ $(F77LD) -o $@ $(dndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv4 : $(dndrv4_OBJECTS)
++ $(F77LD) -o $@ $(dndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv5 : $(dndrv5_OBJECTS)
++ $(F77LD) -o $@ $(dndrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv6 : $(dndrv6_OBJECTS)
++ $(F77LD) -o $@ $(dndrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv1 : $(sndrv1_OBJECTS)
++ $(F77LD) -o $@ $(sndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv2 : $(sndrv2_OBJECTS)
++ $(F77LD) -o $@ $(sndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv3 : $(sndrv3_OBJECTS)
++ $(F77LD) -o $@ $(sndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv4 : $(sndrv4_OBJECTS)
++ $(F77LD) -o $@ $(sndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv5 : $(sndrv5_OBJECTS)
++ $(F77LD) -o $@ $(sndrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv6 : $(sndrv6_OBJECTS)
++ $(F77LD) -o $@ $(sndrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/PARPACK/EXAMPLES/MPI/Makefile_parpack_intel 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/PARPACK/EXAMPLES/MPI/Makefile_parpack_intel 2021-06-30 10:37:57.095101000 +0200
+@@ -0,0 +1,51 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread
++
++PARPACKLIB = -L$(ARPACK_LIB) -lparpack -larpack
++
++pcndrv1_OBJECTS = pcndrv1.o
++pdndrv1_OBJECTS = pdndrv1.o
++pdndrv3_OBJECTS = pdndrv3.o
++psndrv1_OBJECTS = psndrv1.o
++psndrv3_OBJECTS = psndrv3.o
++pzndrv1_OBJECTS = pzndrv1.o
++
++all : pcndrv1 pdndrv1 pdndrv3 \
++ psndrv1 psndrv3 pzndrv1
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++pcndrv1 : $(pcndrv1_OBJECTS)
++ $(F77LD) -o $@ $(pcndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++pdndrv1 : $(pdndrv1_OBJECTS)
++ $(F77LD) -o $@ $(pdndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++pdndrv3 : $(pdndrv3_OBJECTS)
++ $(F77LD) -o $@ $(pdndrv3_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++psndrv1 : $(psndrv1_OBJECTS)
++ $(F77LD) -o $@ $(psndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++psndrv3 : $(psndrv3_OBJECTS)
++ $(F77LD) -o $@ $(psndrv3_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++pzndrv1 : $(pzndrv1_OBJECTS)
++ $(F77LD) -o $@ $(pzndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/SIMPLE/Makefile_simple_intel 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/SIMPLE/Makefile_simple_intel 2021-06-30 10:36:04.541931000 +0200
+@@ -0,0 +1,51 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++cnsimp_OBJECTS = cnsimp.o
++dnsimp_OBJECTS = dnsimp.o
++dssimp_OBJECTS = dssimp.o
++snsimp_OBJECTS = snsimp.o
++sssimp_OBJECTS = sssimp.o
++znsimp_OBJECTS = znsimp.o
++
++all : cnsimp dnsimp dssimp \
++ snsimp sssimp znsimp
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++cnsimp : $(cnsimp_OBJECTS)
++ $(F77LD) -o $@ $(cnsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnsimp : $(dnsimp_OBJECTS)
++ $(F77LD) -o $@ $(dnsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dssimp : $(dssimp_OBJECTS)
++ $(F77LD) -o $@ $(dssimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snsimp : $(snsimp_OBJECTS)
++ $(F77LD) -o $@ $(snsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sssimp : $(sssimp_OBJECTS)
++ $(F77LD) -o $@ $(sssimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znsimp : $(znsimp_OBJECTS)
++ $(F77LD) -o $@ $(znsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/SVD/Makefile_svd_intel 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/SVD/Makefile_svd_intel 2021-06-30 10:36:04.546102000 +0200
+@@ -0,0 +1,36 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++dsvd_OBJECTS = dsvd.o
++ssvd_OBJECTS = ssvd.o
++
++all : dsvd \
++ ssvd
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++
++dsvd : $(dsvd_OBJECTS)
++ $(F77LD) -o $@ $(dsvd_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssvd : $(ssvd_OBJECTS)
++ $(F77LD) -o $@ $(ssvd_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/SYM/Makefile_sym_intel 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/SYM/Makefile_sym_intel 2021-06-30 10:36:04.549670000 +0200
+@@ -0,0 +1,75 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -liomp5 -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++dsdrv1_OBJECTS = dsdrv1.o
++dsdrv2_OBJECTS = dsdrv2.o
++dsdrv3_OBJECTS = dsdrv3.o
++dsdrv4_OBJECTS = dsdrv4.o
++dsdrv5_OBJECTS = dsdrv5.o
++dsdrv6_OBJECTS = dsdrv6.o
++ssdrv1_OBJECTS = ssdrv1.o
++ssdrv2_OBJECTS = ssdrv2.o
++ssdrv3_OBJECTS = ssdrv3.o
++ssdrv4_OBJECTS = ssdrv4.o
++ssdrv5_OBJECTS = ssdrv5.o
++ssdrv6_OBJECTS = ssdrv6.o
++
++all : dsdrv1 dsdrv2 dsdrv3 dsdrv4 dsdrv5 dsdrv6 \
++ ssdrv1 ssdrv2 ssdrv3 ssdrv4 ssdrv5 ssdrv6
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++dsdrv1 : $(dsdrv1_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv2 : $(dsdrv2_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv3 : $(dsdrv3_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv4 : $(dsdrv4_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv5 : $(dsdrv5_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv6 : $(dsdrv6_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv1 : $(ssdrv1_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv2 : $(ssdrv2_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv3 : $(ssdrv3_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv4 : $(ssdrv4_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv5 : $(ssdrv5_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv6 : $(ssdrv6_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
diff --git a/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-install-arpack-examples_gpsmkl.patch b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-install-arpack-examples_gpsmkl.patch
new file mode 100644
index 0000000000000000000000000000000000000000..cb08b9ea9053080a2e005fe6cd8b7e318625133b
--- /dev/null
+++ b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-install-arpack-examples_gpsmkl.patch
@@ -0,0 +1,538 @@
+--- arpack-ng-3.8.0/PARPACK_CHANGES 2021-06-30 09:57:39.220219000 +0200
++++ arpack-ng-3.8.0-ok/PARPACK_CHANGES 2021-06-30 10:25:30.148960874 +0200
+@@ -334,4 +334,6 @@
+ 36. 09/18/2016 p*apps.f and p*aitr.f contain condition to fetch machine epsilon.
+ When different p*aupd call use communicator with different number of CPU these
+ conditions cause deadlock. Variables inside conditions are moved to global
+- to be reset each first iteration
+\ No newline at end of file
++ to be reset each first iteration
++
++
+--- arpack-ng-3.8.0/EXAMPLES/BAND/Makefile_band 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/BAND/Makefile_band 2021-06-30 10:36:04.461587000 +0200
+@@ -0,0 +1,159 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++cnbdr1_OBJECTS = cnbdr1.o cnband.o
++cnbdr2_OBJECTS = cnbdr2.o cnband.o
++cnbdr3_OBJECTS = cnbdr3.o cnband.o
++cnbdr4_OBJECTS = cnbdr4.o cnband.o
++dnbdr1_OBJECTS = dnbdr1.o dnband.o
++dnbdr2_OBJECTS = dnbdr2.o dnband.o
++dnbdr3_OBJECTS = dnbdr3.o dnband.o
++dnbdr4_OBJECTS = dnbdr4.o dnband.o
++dnbdr5_OBJECTS = dnbdr5.o dnband.o
++dnbdr6_OBJECTS = dnbdr6.o dnband.o
++dsbdr1_OBJECTS = dsbdr1.o dsband.o
++dsbdr2_OBJECTS = dsbdr2.o dsband.o
++dsbdr3_OBJECTS = dsbdr3.o dsband.o
++dsbdr4_OBJECTS = dsbdr4.o dsband.o
++dsbdr5_OBJECTS = dsbdr5.o dsband.o
++dsbdr6_OBJECTS = dsbdr6.o dsband.o
++snbdr1_OBJECTS = snbdr1.o snband.o
++snbdr2_OBJECTS = snbdr2.o snband.o
++snbdr3_OBJECTS = snbdr3.o snband.o
++snbdr4_OBJECTS = snbdr4.o snband.o
++snbdr5_OBJECTS = snbdr5.o snband.o
++snbdr6_OBJECTS = snbdr6.o snband.o
++ssbdr1_OBJECTS = ssbdr1.o ssband.o
++ssbdr2_OBJECTS = ssbdr2.o ssband.o
++ssbdr3_OBJECTS = ssbdr3.o ssband.o
++ssbdr4_OBJECTS = ssbdr4.o ssband.o
++ssbdr5_OBJECTS = ssbdr5.o ssband.o
++ssbdr6_OBJECTS = ssbdr6.o ssband.o
++znbdr1_OBJECTS = znbdr1.o znband.o
++znbdr2_OBJECTS = znbdr2.o znband.o
++znbdr3_OBJECTS = znbdr3.o znband.o
++znbdr4_OBJECTS = znbdr4.o znband.o
++
++all : cnbdr1 cnbdr2 cnbdr3 cnbdr4 \
++ dnbdr1 dnbdr2 dnbdr3 dnbdr4 dnbdr5 dnbdr6 \
++ dsbdr1 dsbdr2 dsbdr3 dsbdr4 dsbdr5 dsbdr6 \
++ snbdr1 snbdr2 snbdr3 snbdr4 snbdr5 snbdr6 \
++ ssbdr1 ssbdr2 ssbdr3 ssbdr4 ssbdr5 ssbdr6 \
++ znbdr1 znbdr2 znbdr3 znbdr4
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++cnbdr1 : $(cnbdr1_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cnbdr2 : $(cnbdr2_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cnbdr3 : $(cnbdr3_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cnbdr4 : $(cnbdr4_OBJECTS)
++ $(F77LD) -o $@ $(cnbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr1 : $(dnbdr1_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr2 : $(dnbdr2_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr3 : $(dnbdr3_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr4 : $(dnbdr4_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr5 : $(dnbdr5_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnbdr6 : $(dnbdr6_OBJECTS)
++ $(F77LD) -o $@ $(dnbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr1 : $(dsbdr1_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr2 : $(dsbdr2_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr3 : $(dsbdr3_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr4 : $(dsbdr4_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr5 : $(dsbdr5_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsbdr6 : $(dsbdr6_OBJECTS)
++ $(F77LD) -o $@ $(dsbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr1 : $(snbdr1_OBJECTS)
++ $(F77LD) -o $@ $(snbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr2 : $(snbdr2_OBJECTS)
++ $(F77LD) -o $@ $(snbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr3 : $(snbdr3_OBJECTS)
++ $(F77LD) -o $@ $(snbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr4 : $(snbdr4_OBJECTS)
++ $(F77LD) -o $@ $(snbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr5 : $(snbdr5_OBJECTS)
++ $(F77LD) -o $@ $(snbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snbdr6 : $(snbdr6_OBJECTS)
++ $(F77LD) -o $@ $(snbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr1 : $(ssbdr1_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr2 : $(ssbdr2_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr3 : $(ssbdr3_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr4 : $(ssbdr4_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr5 : $(ssbdr5_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssbdr6 : $(ssbdr6_OBJECTS)
++ $(F77LD) -o $@ $(ssbdr6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr1 : $(znbdr1_OBJECTS)
++ $(F77LD) -o $@ $(znbdr1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr2 : $(znbdr2_OBJECTS)
++ $(F77LD) -o $@ $(znbdr2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr3 : $(znbdr3_OBJECTS)
++ $(F77LD) -o $@ $(znbdr3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znbdr4 : $(znbdr4_OBJECTS)
++ $(F77LD) -o $@ $(znbdr4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/COMPLEX/Makefile_complex 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/COMPLEX/Makefile_complex 2021-06-30 10:36:04.494505000 +0200
+@@ -0,0 +1,59 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++cndrv1_OBJECTS = cndrv1.o
++cndrv2_OBJECTS = cndrv2.o
++cndrv3_OBJECTS = cndrv3.o
++cndrv4_OBJECTS = cndrv4.o
++zndrv1_OBJECTS = zndrv1.o
++zndrv2_OBJECTS = zndrv2.o
++zndrv3_OBJECTS = zndrv3.o
++zndrv4_OBJECTS = zndrv4.o
++
++all : cndrv1 cndrv2 cndrv3 cndrv4 \
++ zndrv1 zndrv2 zndrv3 zndrv4
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++cndrv1 : $(cndrv1_OBJECTS)
++ $(F77LD) -o $@ $(cndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cndrv2 : $(cndrv2_OBJECTS)
++ $(F77LD) -o $@ $(cndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cndrv3 : $(cndrv3_OBJECTS)
++ $(F77LD) -o $@ $(cndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++cndrv4 : $(cndrv4_OBJECTS)
++ $(F77LD) -o $@ $(cndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv1 : $(zndrv1_OBJECTS)
++ $(F77LD) -o $@ $(zndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv2 : $(zndrv2_OBJECTS)
++ $(F77LD) -o $@ $(zndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv3 : $(zndrv3_OBJECTS)
++ $(F77LD) -o $@ $(zndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++zndrv4 : $(zndrv4_OBJECTS)
++ $(F77LD) -o $@ $(zndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/NONSYM/Makefile_nonsym 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/NONSYM/Makefile_nonsym 2021-06-30 10:36:04.498741000 +0200
+@@ -0,0 +1,75 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++dndrv1_OBJECTS = dndrv1.o
++dndrv2_OBJECTS = dndrv2.o
++dndrv3_OBJECTS = dndrv3.o
++dndrv4_OBJECTS = dndrv4.o
++dndrv5_OBJECTS = dndrv5.o
++dndrv6_OBJECTS = dndrv6.o
++sndrv1_OBJECTS = sndrv1.o
++sndrv2_OBJECTS = sndrv2.o
++sndrv3_OBJECTS = sndrv3.o
++sndrv4_OBJECTS = sndrv4.o
++sndrv5_OBJECTS = sndrv5.o
++sndrv6_OBJECTS = sndrv6.o
++
++all : dndrv1 dndrv2 dndrv3 dndrv4 dndrv5 dndrv6 \
++ sndrv1 sndrv2 sndrv3 sndrv4 sndrv5 sndrv6
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++dndrv1 : $(dndrv1_OBJECTS)
++ $(F77LD) -o $@ $(dndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv2 : $(dndrv2_OBJECTS)
++ $(F77LD) -o $@ $(dndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv3 : $(dndrv3_OBJECTS)
++ $(F77LD) -o $@ $(dndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv4 : $(dndrv4_OBJECTS)
++ $(F77LD) -o $@ $(dndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv5 : $(dndrv5_OBJECTS)
++ $(F77LD) -o $@ $(dndrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dndrv6 : $(dndrv6_OBJECTS)
++ $(F77LD) -o $@ $(dndrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv1 : $(sndrv1_OBJECTS)
++ $(F77LD) -o $@ $(sndrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv2 : $(sndrv2_OBJECTS)
++ $(F77LD) -o $@ $(sndrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv3 : $(sndrv3_OBJECTS)
++ $(F77LD) -o $@ $(sndrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv4 : $(sndrv4_OBJECTS)
++ $(F77LD) -o $@ $(sndrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv5 : $(sndrv5_OBJECTS)
++ $(F77LD) -o $@ $(sndrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sndrv6 : $(sndrv6_OBJECTS)
++ $(F77LD) -o $@ $(sndrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/PARPACK/EXAMPLES/MPI/Makefile_parpack 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/PARPACK/EXAMPLES/MPI/Makefile_parpack 2021-06-30 10:37:57.093198000 +0200
+@@ -0,0 +1,51 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread
++
++PARPACKLIB = -L$(ARPACK_LIB) -lparpack -larpack
++
++pcndrv1_OBJECTS = pcndrv1.o
++pdndrv1_OBJECTS = pdndrv1.o
++pdndrv3_OBJECTS = pdndrv3.o
++psndrv1_OBJECTS = psndrv1.o
++psndrv3_OBJECTS = psndrv3.o
++pzndrv1_OBJECTS = pzndrv1.o
++
++all : pcndrv1 pdndrv1 pdndrv3 \
++ psndrv1 psndrv3 pzndrv1
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++pcndrv1 : $(pcndrv1_OBJECTS)
++ $(F77LD) -o $@ $(pcndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++pdndrv1 : $(pdndrv1_OBJECTS)
++ $(F77LD) -o $@ $(pdndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++pdndrv3 : $(pdndrv3_OBJECTS)
++ $(F77LD) -o $@ $(pdndrv3_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++psndrv1 : $(psndrv1_OBJECTS)
++ $(F77LD) -o $@ $(psndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++psndrv3 : $(psndrv3_OBJECTS)
++ $(F77LD) -o $@ $(psndrv3_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++pzndrv1 : $(pzndrv1_OBJECTS)
++ $(F77LD) -o $@ $(pzndrv1_OBJECTS) $(PARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/SIMPLE/Makefile_simple 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/SIMPLE/Makefile_simple 2021-06-30 10:36:04.541054000 +0200
+@@ -0,0 +1,51 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++cnsimp_OBJECTS = cnsimp.o
++dnsimp_OBJECTS = dnsimp.o
++dssimp_OBJECTS = dssimp.o
++snsimp_OBJECTS = snsimp.o
++sssimp_OBJECTS = sssimp.o
++znsimp_OBJECTS = znsimp.o
++
++all : cnsimp dnsimp dssimp \
++ snsimp sssimp znsimp
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++cnsimp : $(cnsimp_OBJECTS)
++ $(F77LD) -o $@ $(cnsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dnsimp : $(dnsimp_OBJECTS)
++ $(F77LD) -o $@ $(dnsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dssimp : $(dssimp_OBJECTS)
++ $(F77LD) -o $@ $(dssimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++snsimp : $(snsimp_OBJECTS)
++ $(F77LD) -o $@ $(snsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++sssimp : $(sssimp_OBJECTS)
++ $(F77LD) -o $@ $(sssimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++znsimp : $(znsimp_OBJECTS)
++ $(F77LD) -o $@ $(znsimp_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/SVD/Makefile_svd 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/SVD/Makefile_svd 2021-06-30 10:36:04.545031000 +0200
+@@ -0,0 +1,36 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++dsvd_OBJECTS = dsvd.o
++ssvd_OBJECTS = ssvd.o
++
++all : dsvd \
++ ssvd
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++
++dsvd : $(dsvd_OBJECTS)
++ $(F77LD) -o $@ $(dsvd_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssvd : $(ssvd_OBJECTS)
++ $(F77LD) -o $@ $(ssvd_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
+--- arpack-ng-3.8.0/EXAMPLES/SYM/Makefile_sym 1970-01-01 01:00:00.000000000 +0100
++++ arpack-ng-3.8.0-ok/EXAMPLES/SYM/Makefile_sym 2021-06-30 10:36:04.548174000 +0200
+@@ -0,0 +1,75 @@
++# This Makefile.in is free software; the Free Software Foundation
++# gives unlimited permission to copy and/or distribute it,
++# with or without modifications, as long as this notice is preserved.
++#
++CC = mpicc
++CFLAGS = -g -O2
++CPP = mpicc -E
++CPPFLAGS =
++
++F77 = mpif77
++FFLAGS = -g -O2
++F77LD = $(F77)
++FGREP = /bin/grep -F
++
++LAPACK_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lgomp -lpthread
++
++ARPACKLIB = -L$(ARPACK_LIB) -larpack
++
++dsdrv1_OBJECTS = dsdrv1.o
++dsdrv2_OBJECTS = dsdrv2.o
++dsdrv3_OBJECTS = dsdrv3.o
++dsdrv4_OBJECTS = dsdrv4.o
++dsdrv5_OBJECTS = dsdrv5.o
++dsdrv6_OBJECTS = dsdrv6.o
++ssdrv1_OBJECTS = ssdrv1.o
++ssdrv2_OBJECTS = ssdrv2.o
++ssdrv3_OBJECTS = ssdrv3.o
++ssdrv4_OBJECTS = ssdrv4.o
++ssdrv5_OBJECTS = ssdrv5.o
++ssdrv6_OBJECTS = ssdrv6.o
++
++all : dsdrv1 dsdrv2 dsdrv3 dsdrv4 dsdrv5 dsdrv6 \
++ ssdrv1 ssdrv2 ssdrv3 ssdrv4 ssdrv5 ssdrv6
++
++.SUFFIXES: .f .o
++.f.o:
++ $(F77) -c -o $@ $<
++
++dsdrv1 : $(dsdrv1_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv2 : $(dsdrv2_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv3 : $(dsdrv3_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv4 : $(dsdrv4_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv5 : $(dsdrv5_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++dsdrv6 : $(dsdrv6_OBJECTS)
++ $(F77LD) -o $@ $(dsdrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv1 : $(ssdrv1_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv1_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv2 : $(ssdrv2_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv2_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv3 : $(ssdrv3_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv3_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv4 : $(ssdrv4_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv4_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv5 : $(ssdrv5_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv5_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++ssdrv6 : $(ssdrv6_OBJECTS)
++ $(F77LD) -o $@ $(ssdrv6_OBJECTS) $(ARPACKLIB) $(LAPACK_LIBS)
++
++
diff --git a/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-intel-para-2022a.eb b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..eaa66876668de0ab0cc40e9b9f9847d02aca59ab
--- /dev/null
+++ b/Golden_Repo/a/ARPACK-NG/ARPACK-NG-3.8.0-intel-para-2022a.eb
@@ -0,0 +1,62 @@
+easyblock = 'ConfigureMake'
+
+name = 'ARPACK-NG'
+
+version = '3.8.0'
+
+homepage = 'http://forge.scilab.org/index.php/p/arpack-ng/'
+
+description = """ARPACK-NG is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
+
+libarpack.a and libparpack.a have been installed in $EBROOTARPACKMINNG.
+
+In addition the variables ARPACK_ROOT, ARPACK_LIB, PARPACK_ROOT, and PARPACK_LIB are set.
+
+"""
+
+examples = 'Examples can be found in $ARPACK_ROOT/EXAMPLES'
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+
+toolchainopts = {'opt': True, 'optarch': True, 'pic': True, 'usempi': True}
+
+source_urls = ['https://github.com/opencollab/arpack-ng/archive/']
+
+sources = ["%(version)s.tar.gz"]
+
+patches = [
+ 'ARPACK-NG-%(version)s-install-arpack-examples.patch'
+]
+
+checksums = [
+ 'ada5aeb3878874383307239c9235b716a8a170c6d096a6625bfd529844df003d', # 3.8.0.tar.gz
+ 'bd5a1d29d8ca0ac8ab87e2f78d06d4fd13ee8ae22ad9b12d36512f20eeb86f62', # ARPACK-NG-3.8.0-install-arpack-examples.patch
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0')
+]
+
+preconfigopts = 'sh bootstrap &&'
+
+configopts = '--enable-mpi --with-pic --enable-static --with-blas="$LIBBLAS" --with-lapack="$LIBLAPACK"'
+
+postinstallcmds = [
+ "cp -r EXAMPLES %(installdir)s/EXAMPLES",
+ "cp -r PARPACK/EXAMPLES/MPI %(installdir)s/EXAMPLES/PARPACK",
+]
+
+sanity_check_paths = {
+ 'files': ["lib/libarpack.a", "lib/libarpack.%s" % SHLIB_EXT, "lib/libparpack.a", "lib/libparpack.%s" % SHLIB_EXT],
+ 'dirs': []
+}
+
+modextravars = {
+ 'ARPACK_ROOT': '%(installdir)s',
+ 'PARPACK_ROOT': '%(installdir)s',
+ 'ARPACK_LIB': '%(installdir)s/lib',
+ 'PARPACK_LIB': '%(installdir)s/lib'
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/a/ArviZ/ArviZ-0.14.0-foss-2022a.eb b/Golden_Repo/a/ArviZ/ArviZ-0.14.0-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..aee267ecf90ab9348058a13c3cdc835f4eed281e
--- /dev/null
+++ b/Golden_Repo/a/ArviZ/ArviZ-0.14.0-foss-2022a.eb
@@ -0,0 +1,43 @@
+easyblock = 'PythonBundle'
+
+name = 'ArviZ'
+version = '0.14.0'
+
+homepage = 'https://github.com/arviz-devs/arviz'
+description = "Exploratory analysis of Bayesian models with Python"
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('netcdf4-python', '1.6.1'),
+ ('xarray', '2022.9.0', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('typing-extensions', '4.3.0'),
+ ('h5py', '3.7.0'),
+]
+
+exts_list = [
+ ('xarray-einstats', '0.5.1', {
+ 'checksums': ['45283e8b471ac54ac2957bc14e311f681b84dabc50c85959b9931e6f5cc60bcb'],
+ }),
+ ('daft', '0.1.2', {
+ 'checksums': ['3e77e0389ca539a5741a906bcdcaae462b68261d06b960b0c04498b695d312e5'],
+ }),
+ ('h5netcdf', '1.1.0', {
+ 'checksums': ['932c3b573bed7370ebfc9e802cd60f1a4da5236efb11b36eeff897324d76bf56'],
+ }),
+ (name, version, {
+ 'sources': ['%(namelower)s-%(version)s.tar.gz'],
+ 'checksums': ['a5d7148c76ab9b50fa56f2c09c71b83b1e407aa6e1aa7581b03e9a91866e91ef'],
+ }),
+]
+
+download_dep_fail = True
+use_pip = True
+
+sanity_pip_check = True
+
+moduleclass = 'math'
diff --git a/Golden_Repo/b/BLAST+/BLAST+-2.13.0-gompi-2022a.eb b/Golden_Repo/b/BLAST+/BLAST+-2.13.0-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..fb96f2a98977b6b27b07179872c94899ae66c5ee
--- /dev/null
+++ b/Golden_Repo/b/BLAST+/BLAST+-2.13.0-gompi-2022a.eb
@@ -0,0 +1,51 @@
+# #
+# EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+#
+# Copyright:: Copyright 2012-2014 Uni.Lu/LCSB, NTUA
+# Authors:: Fotis Georgatos <fotis@cern.ch>, Kenneth Hoste (UGent)
+# License:: MIT/GPL
+# $Id$
+#
+# This work implements a part of the HPCBIOS project and is a component of
+# the policy: https://hpcbios.readthedocs.org/en/latest/HPCBIOS_2012-94.html
+# #
+
+easyblock = 'ConfigureMake'
+
+name = 'BLAST+'
+version = '2.13.0'
+
+homepage = 'https://blast.ncbi.nlm.nih.gov/'
+description = """Basic Local Alignment Search Tool, or BLAST, is an algorithm
+ for comparing primary biological sequence information, such as the amino-acid
+ sequences of different proteins or the nucleotides of DNA sequences."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = ['https://ftp.ncbi.nlm.nih.gov/blast/executables/%(namelower)s/%(version)s/']
+sources = ['ncbi-blast-%(version)s+-src.tar.gz']
+checksums = ['89553714d133daf28c477f83d333794b3c62e4148408c072a1b4620e5ec4feb2']
+
+dependencies = [
+ ('zlib', '1.2.12'),
+ ('bzip2', '1.0.8'),
+ ('PCRE', '8.45'),
+ ('Boost', '1.79.0'),
+ ('GMP', '6.2.1'),
+ ('libpng', '1.6.37'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('LMDB', '0.9.29'),
+]
+
+configopts = "--with-64 --with-z=$EBROOTZLIB --with-bz2=$EBROOTBZIP2 "
+configopts += "--with-pcre=$EBROOTPCRE --with-boost=$EBROOTBOOST "
+configopts += "--with-gmp=$EBROOTGMP --with-png=$EBROOTLIBPNG "
+configopts += "--with-jpeg=$EBROOTLIBJPEGMINTURBO --with-lmdb=$EBROOTLMDB"
+
+sanity_check_paths = {
+ 'files': ['bin/blastn', 'bin/blastp', 'bin/blastx'],
+ 'dirs': [],
+}
+
+moduleclass = 'bio'
diff --git a/Golden_Repo/b/bokeh/bokeh-2.4.2-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/b/bokeh/bokeh-2.4.2-gcccoremkl-11.3.0-2022.1.0.eb
index 1400045dd75b5e533334b0014e51a5af683109b8..647e5db04ebccd6d78b931f17f96d896716a8a17 100644
--- a/Golden_Repo/b/bokeh/bokeh-2.4.2-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/b/bokeh/bokeh-2.4.2-gcccoremkl-11.3.0-2022.1.0.eb
@@ -20,8 +20,8 @@ dependencies = [
use_pip = True
exts_list = [
- ('tornado', '6.1', {
- 'checksums': ['33c6e81d7bd55b468d2e793517c909b139960b6c790a60b7991b9b6b76fb9791'],
+ ('tornado', '6.2', {
+ 'checksums': ['9b630419bde84ec666bfd7ea0a4cb2a8a651c2d5cccdbdd1972a0c859dfc3c13'],
}),
(name, version, {
'checksums': ['f0a4b53364ed3b7eb936c5cb1a4f4132369e394c7ae0a8ef420459410958033d'],
diff --git a/Golden_Repo/c/CDO/CDO-2.1.1-gompi-2022a.eb b/Golden_Repo/c/CDO/CDO-2.1.1-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e4e2011e14fd567636e38c5311d78054949f20a6
--- /dev/null
+++ b/Golden_Repo/c/CDO/CDO-2.1.1-gompi-2022a.eb
@@ -0,0 +1,55 @@
+# updated to version 2.1.1
+# updated to version 2.0.6, based on the previous 2.0.5 version
+# J. Sassmannshausen (Imperial College London, UK)
+# Alex Domingo (Vrije Universiteit Brussel, BE)
+# Maxim Masterov (SURF, NL)
+
+easyblock = 'ConfigureMake'
+
+name = 'CDO'
+version = '2.1.1'
+
+homepage = 'https://code.zmaw.de/projects/cdo'
+description = """CDO is a collection of command line Operators to manipulate and analyse Climate and NWP model Data."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'cstd': 'c++17', 'usempi': True}
+
+source_urls = ['https://code.mpimet.mpg.de/attachments/download/27654/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['c29d084ccbda931d71198409fb2d14f99930db6e7a3654b3c0243ceb304755d9']
+
+builddependencies = [
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('cURL', '7.83.0'),
+ ('ecCodes', '2.27.0'),
+ ('FFTW', '3.3.10'),
+ ('HDF5', '1.12.2'),
+ ('libxml2', '2.9.13'),
+ ('netCDF', '4.9.0'),
+ ('PROJ', '9.0.0'),
+ ('Szip', '2.1.1'),
+ ('UDUNITS', '2.2.28'),
+ ('util-linux', '2.38'),
+]
+
+# Build libcdi
+configopts = "--enable-cdi-lib "
+
+# Use dependencies from EasyBuild
+configopts += "--with-curl=$EBROOTCURL --with-eccodes=$EBROOTECCODES --with-fftw3 --with-hdf5=$EBROOTHDF5 "
+configopts += "--with-netcdf=$EBROOTNETCDF --with-proj=$EBROOTPROJ --with-szlib=$EBROOTSZIP "
+configopts += "--with-udunits2=$EBROOTUDUNITS --with-util-linux-uuid=$EBROOTUTILMINLINUX "
+
+sanity_check_paths = {
+ 'files': ['bin/cdo', 'lib/libcdi.a', 'lib/libcdi.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+sanity_check_commands = [
+ "cdo --version 2>&1 | grep 'CDI library version : %(version)s'"]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/c/CDO/CDO-2.1.1-gpsmpi-2022a.eb b/Golden_Repo/c/CDO/CDO-2.1.1-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f26f3eab818eb893f4a5807be01ba6cdcd01bc84
--- /dev/null
+++ b/Golden_Repo/c/CDO/CDO-2.1.1-gpsmpi-2022a.eb
@@ -0,0 +1,55 @@
+# updated to version 2.1.1
+# updated to version 2.0.6, based on the previous 2.0.5 version
+# J. Sassmannshausen (Imperial College London, UK)
+# Alex Domingo (Vrije Universiteit Brussel, BE)
+# Maxim Masterov (SURF, NL)
+
+easyblock = 'ConfigureMake'
+
+name = 'CDO'
+version = '2.1.1'
+
+homepage = 'https://code.zmaw.de/projects/cdo'
+description = """CDO is a collection of command line Operators to manipulate and analyse Climate and NWP model Data."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'cstd': 'c++17', 'usempi': True}
+
+source_urls = ['https://code.mpimet.mpg.de/attachments/download/27654/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['c29d084ccbda931d71198409fb2d14f99930db6e7a3654b3c0243ceb304755d9']
+
+builddependencies = [
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('cURL', '7.83.0'),
+ ('ecCodes', '2.27.0'),
+ ('FFTW', '3.3.10'),
+ ('HDF5', '1.12.2'),
+ ('libxml2', '2.9.13'),
+ ('netCDF', '4.9.0'),
+ ('PROJ', '9.0.0'),
+ ('Szip', '2.1.1'),
+ ('UDUNITS', '2.2.28'),
+ ('util-linux', '2.38'),
+]
+
+# Build libcdi
+configopts = "--enable-cdi-lib "
+
+# Use dependencies from EasyBuild
+configopts += "--with-curl=$EBROOTCURL --with-eccodes=$EBROOTECCODES --with-fftw3 --with-hdf5=$EBROOTHDF5 "
+configopts += "--with-netcdf=$EBROOTNETCDF --with-proj=$EBROOTPROJ --with-szlib=$EBROOTSZIP "
+configopts += "--with-udunits2=$EBROOTUDUNITS --with-util-linux-uuid=$EBROOTUTILMINLINUX "
+
+sanity_check_paths = {
+ 'files': ['bin/cdo', 'lib/libcdi.a', 'lib/libcdi.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+sanity_check_commands = [
+ "cdo --version 2>&1 | grep 'CDI library version : %(version)s'"]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/c/CDO/CDO-2.1.1-ipsmpi-2022a.eb b/Golden_Repo/c/CDO/CDO-2.1.1-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..303c4f1e0d8e5b649e046fec5f76f4b28c0efcbb
--- /dev/null
+++ b/Golden_Repo/c/CDO/CDO-2.1.1-ipsmpi-2022a.eb
@@ -0,0 +1,61 @@
+# updated to version 2.1.1 based on 2.0.6
+# updated to version 2.0.6, based on the previous 2.0.5 version
+# J. Sassmannshausen (Imperial College London, UK)
+# Alex Domingo (Vrije Universiteit Brussel, BE)
+# Maxim Masterov (SURF, NL)
+
+easyblock = 'ConfigureMake'
+
+name = 'CDO'
+version = '2.1.1'
+
+homepage = 'https://code.zmaw.de/projects/cdo'
+description = """CDO is a collection of command line Operators to manipulate and analyse Climate and NWP model Data."""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+toolchainopts = {'cstd': 'c++17', 'usempi': True}
+
+source_urls = ['https://code.mpimet.mpg.de/attachments/download/27654']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['c29d084ccbda931d71198409fb2d14f99930db6e7a3654b3c0243ceb304755d9']
+
+builddependencies = [
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('cURL', '7.83.0'),
+ ('ecCodes', '2.27.0'),
+ ('FFTW', '3.3.10'),
+ ('HDF5', '1.12.2'),
+ ('libxml2', '2.9.13'),
+ ('netCDF', '4.9.0'),
+ ('PROJ', '9.0.0'),
+ ('Szip', '2.1.1'),
+ ('UDUNITS', '2.2.28'),
+ ('util-linux', '2.38'),
+]
+
+# select icx and icpx instead of icp and icpc and
+# replace -fp-model source by -fp-model=precise (as source is not an option for Intel oneAPI compiler)
+preconfigopts = 'FC=ifx CC=icx CXX=icpx MPICH_CC=icx MPICH_CXX=icpx '
+preconfigopts += 'CFLAGS="-O2 -march=core-avx2 -ftz -fp-speculation=safe -fp-model=precise -fPIC" '
+preconfigopts += 'CXXFLAGS="-O2 -march=core-avx2 -ftz -fp-speculation=safe -fp-model=precise -fPIC" '
+
+# Build libcdi
+configopts = "--enable-cdi-lib "
+
+# Use dependencies from EasyBuild
+configopts += '--with-curl=$EBROOTCURL --with-eccodes=$EBROOTECCODES --with-fftw3 --with-hdf5=$EBROOTHDF5 '
+configopts += '--with-netcdf=$EBROOTNETCDF --with-proj=$EBROOTPROJ --with-szlib=$EBROOTSZIP '
+configopts += '--with-udunits2=$EBROOTUDUNITS --with-util-linux-uuid=$EBROOTUTILMINLINUX '
+
+sanity_check_paths = {
+ 'files': ['bin/cdo', 'lib/libcdi.a', 'lib/libcdi.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+sanity_check_commands = [
+ "cdo --version 2>&1 | grep 'CDI library version : %(version)s'"]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/c/CP2K/CP2K-2023.1-intel-para-2022a.eb b/Golden_Repo/c/CP2K/CP2K-2023.1-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f7abfa87403f3ed6ec5dd67d6ea1626f94d9ec31
--- /dev/null
+++ b/Golden_Repo/c/CP2K/CP2K-2023.1-intel-para-2022a.eb
@@ -0,0 +1,98 @@
+name = 'CP2K'
+version = '2023.1'
+
+homepage = 'http://www.cp2k.org/'
+description = """CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular
+ simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different
+ methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and
+ classical pair and many-body potentials.
+ The default eigensolver is set to Scalapack. This setting can be overridden by specifiying
+ PREFERRED_DIAG_LIBRARY ELPA in the global section of the cp2k input. Note, that application-dependent
+ - in particular for small basis sizes - the use of the ELPA eigensolver library can cause dead-locks:
+ the program might be killed with a corresponding message from the MPI library ( parastation mpi)
+ or even hang (openmpi). The user is advised to check whether the particular application is prone to
+ deadlocks if ELPA is switched on.
+ The Libvori library for Voronoi integration and the BQB compressed volumetric trajectory data is included
+ (https://brehm-research.de/voronoi, https://brehm-research.de/bqb).
+ Tree-Monte-Carlo is disfunctional; this is the hybrid MPI/OpenMP version of CP2K.
+"""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'pic': True, 'openmp': True}
+
+# which dbcsr_version
+dbcsr_version = '2.5.0'
+libvori_version = '-220621'
+spglib_version = '1.16.2'
+local_libvori_version = '-220621'
+
+sources = [
+ 'cp2k/archive/v%(version)s.tar.gz',
+ 'dbcsr/archive/refs/tags/v%s.tar.gz' % dbcsr_version,
+ 'libvori%s.tar.gz' % local_libvori_version,
+ 'spglib-1.16.2.tar.gz',
+]
+source_urls = [
+ 'https://github.com/cp2k/',
+ 'https://github.com/cp2k/',
+ 'https://www.brehm-research.de/files/',
+]
+
+patches = [
+ 'CP2K-2023.1_fftw3_lib.patch',
+ 'CP2K-2023.1_elpa.patch',
+ 'CP2K-2023.1_dbcsr.patch',
+]
+
+checksums = [
+ 'b837f3f8329e92b98959edfd198dc83447737098844a5102e19c83748af9ec2e',
+ '24138461cf0b347ab6df0fba192bca6a026f22c3f0bc29abdae2df9e830809ca',
+ '1cfa98c564814bddacf1c0e7f11582137d758668f6307e6eb392c72317984c14',
+ '5723789bee7371ebba91d78c729d2a608f198fad5e1c95eebe18fda9f2914ec8',
+ '1b7674b0046d329f9913ed99e92b53481e878a04a4856c817228d4816d0ea624',
+ '33c765f5e119541d943c0d9386059e1ef6f82ca1f2e9490adeca6b86656b5b2d',
+ 'c480c46d31290056079f6a9d5fa17454d34169d1a7850af22378dd794257c3b7'
+]
+
+dependencies = [
+ ('libxc', '5.2.3', '', ('intel-compilers', '2022.1.0')),
+ ('FFTW', '3.3.10', ''),
+ ('Libint', '2.7.2', '_cp2k_lmax5', ('intel-compilers', '2022.1.0')),
+ ('ELPA', '2022.11.001.rc1'),
+ ('libxsmm', '1.17', '', ('intel-compilers', '2022.1.0')),
+ ('PLUMED', '2.8.1'),
+]
+
+builddependencies = [
+ ('flex', '2.6.4'),
+ ('CMake', '3.23.1'),
+ ('Python', '3.10.4', '', ('GCCcore', '11.3.0')),
+]
+
+# Add PLUMED support
+plumed = True
+
+# Disable CUDA
+cuda = False
+
+# explicit unrolled loops up to __MAX_CONTR, 4 gives excessive compiler times
+configopts = '-D__MAX_CONTR=3'
+
+# popt or psmp
+type = 'psmp'
+
+# run tests separately (2 nodes of juwels approx 1 hour)
+runtest = False
+
+
+# additional DFLAGS
+extradflags = '-D__MKL -D__LIBVORI -D__SPGLIB'
+
+# regression test reports failures
+ignore_regtest_fails = False
+
+modextravars = {
+ 'CP2K_DATA_DIR': '%(installdir)s/data',
+}
+
+moduleclass = 'chem'
diff --git a/Golden_Repo/c/Cartopy/Cartopy-0.21.0-GCCcore-11.3.0.eb b/Golden_Repo/c/Cartopy/Cartopy-0.21.0-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..22767d1d172235076f5d3e3f4d0b1e70adfca461
--- /dev/null
+++ b/Golden_Repo/c/Cartopy/Cartopy-0.21.0-GCCcore-11.3.0.eb
@@ -0,0 +1,51 @@
+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+# Updated: Denis Kristak
+easyblock = 'PythonBundle'
+
+name = 'Cartopy'
+version = '0.21.0'
+
+homepage = 'https://scitools.org.uk/cartopy/docs/latest/'
+description = """Cartopy is a Python package designed to make drawing maps for data analysis and visualisation easy."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Fiona', '1.8.22'),
+ ('GDAL', '3.5.0'),
+ ('GEOS', '3.11.1'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('Shapely', '1.8.5.post1'),
+ ('lxml', '4.9.1'),
+ ('Pillow-SIMD', '9.2.0'),
+ ('PROJ', '9.0.0'),
+ ('PyYAML', '6.0'),
+ ('pyproj', '3.4.0'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+# owslib 0.26.0 requires pyproj < 3.3.0
+exts_list = [
+ ('OWSLib', '0.27.2', {
+ 'checksums': ['e102aa2444dfe0c8439ab1e1776cc0fa47cea28c09b8a28212c893c6017c179b'],
+ }),
+ ('pyepsg', '0.4.0', {
+ 'checksums': ['2d08fad1e7a8b47a90a4e43da485ba95705923425aefc4e2a3efa540dbd470d7'],
+ }),
+ ('pykdtree', '1.3.6', {
+ 'checksums': ['780b693d0555b857d7aab31e35d4293bf4ebdb9dec7a45ba4bb23b4400f626dc'],
+ }),
+ ('pyshp', '2.3.1', {
+ 'modulename': 'shapefile',
+ 'checksums': ['4caec82fd8dd096feba8217858068bacb2a3b5950f43c048c6dc32a3489d5af1'],
+ }),
+ (name, version, {
+ 'checksums': ['ce1d3a28a132e94c89ac33769a50f81f65634ab2bd40556317e15bd6cad1ce42'],
+ }),
+]
+
+moduleclass = 'geo'
diff --git a/Golden_Repo/c/Cartopy/Cartopy-0.20.3-foss-2022a.eb b/Golden_Repo/c/Cartopy/Cartopy-0.21.0-foss-2022a.eb
similarity index 100%
rename from Golden_Repo/c/Cartopy/Cartopy-0.20.3-foss-2022a.eb
rename to Golden_Repo/c/Cartopy/Cartopy-0.21.0-foss-2022a.eb
diff --git a/Golden_Repo/c/Catalyst/Catalyst-2.0.0-rc3-foss-2022a.eb b/Golden_Repo/c/Catalyst/Catalyst-2.0.0-rc3-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..21eaff1368daa7838ce3493da7863aa81997a027
--- /dev/null
+++ b/Golden_Repo/c/Catalyst/Catalyst-2.0.0-rc3-foss-2022a.eb
@@ -0,0 +1,41 @@
+easyblock = 'CMakeMake'
+
+name = 'Catalyst'
+version = '2.0.0-rc3'
+
+homepage = "https://gitlab.kitware.com/paraview/catalyst/"
+description = """
+Catalyst is an API specification developed for simulations
+(and other scientific data producers)
+to analyze and visualize data in situ.
+"""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = [('https://gitlab.kitware.com/paraview/catalyst/-/archive/v%(version)s/')]
+sources = [('catalyst-v%(version)s.tar.gz')]
+checksums = ['8862bd0a4d0be2176b4272f9affda1ea4e5092087acbb99a2fe2621c33834e05']
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = []
+
+separate_build_dir = True
+
+# --- general settings --- #
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DCATALYST_BUILD_TOOLS=ON '
+configopts += '-DCATALYST_USE_MPI=ON '
+
+# postinstallcmds = []
+
+sanity_check_paths = {
+ 'files': ['lib/libcatalyst.so'],
+ 'dirs': ['include/', 'lib'],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/c/Catalyst/Catalyst-2.0.0-rc3-gpsmkl-2022a.eb b/Golden_Repo/c/Catalyst/Catalyst-2.0.0-rc3-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1dde871ba337a511525a8b718aefa3fefb6b9e36
--- /dev/null
+++ b/Golden_Repo/c/Catalyst/Catalyst-2.0.0-rc3-gpsmkl-2022a.eb
@@ -0,0 +1,41 @@
+easyblock = 'CMakeMake'
+
+name = 'Catalyst'
+version = '2.0.0-rc3'
+
+homepage = "https://gitlab.kitware.com/paraview/catalyst/"
+description = """
+Catalyst is an API specification developed for simulations
+(and other scientific data producers)
+to analyze and visualize data in situ.
+"""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = [('https://gitlab.kitware.com/paraview/catalyst/-/archive/v%(version)s/')]
+sources = [('catalyst-v%(version)s.tar.gz')]
+checksums = ['8862bd0a4d0be2176b4272f9affda1ea4e5092087acbb99a2fe2621c33834e05']
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = []
+
+separate_build_dir = True
+
+# --- general settings --- #
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DCATALYST_BUILD_TOOLS=ON '
+configopts += '-DCATALYST_USE_MPI=ON '
+
+# postinstallcmds = []
+
+sanity_check_paths = {
+ 'files': ['lib/libcatalyst.so'],
+ 'dirs': ['include/', 'lib'],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/c/Colmap/Colmap-3.8-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/c/Colmap/Colmap-3.8-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1bea63bc85f7c8367e0e92af2092008e8fb1e452
--- /dev/null
+++ b/Golden_Repo/c/Colmap/Colmap-3.8-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,50 @@
+easyblock = 'CMakeMake'
+
+name = 'Colmap'
+version = '3.8'
+
+homepage = 'https://colmap.github.io'
+description = """COLMAP is a general-purpose Structure-from-Motion (SfM) and Multi-View Stereo (MVS) pipeline
+with a graphical and command-line interface.
+"""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'cstd': 'c++14'}
+
+github_account = 'colmap'
+source_urls = [GITHUB_SOURCE]
+sources = ['%(version)s.tar.gz']
+checksums = ['02288f8f61692fe38049d65608ed832b31246e7792692376afb712fa4cef8775']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('Eigen', '3.4.0'),
+ ('Boost', '1.79.0'),
+ ('gflags', '2.2.2'),
+ ('glog', '0.6.0'),
+ ('SuiteSparse', '5.13.0', '-nompi'),
+ ('CGAL', '5.5.1'),
+ ('ceres-solver', '2.1.0'),
+ ('FreeImage', '3.18.0'),
+ ('FLANN', '1.9.2'),
+ ('SQLite', '3.38.3'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('OpenGL', '2022a'),
+ ('Qt5', '5.15.5'),
+]
+
+configopts = "-DBUILD_TESTING=OFF -DBUILD_EXAMPLES=OFF "
+configopts += "-DCUDA_ENABLED=ON "
+configopts += "-DCMAKE_CUDA_ARCHITECTURES=all-major "
+configopts += "-DCUDA_NVCC_FLAGS='--std c++14' "
+
+sanity_check_paths = {
+ 'files': ['bin/colmap', 'lib/colmap/libcolmap.a'],
+ 'dirs': [],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/c/CubeGUI/CubeGUI-4.8.1-GCCcore-11.3.0.eb b/Golden_Repo/c/CubeGUI/CubeGUI-4.8.1-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..aef19002e498f888b4228c72d3840318c0dea55e
--- /dev/null
+++ b/Golden_Repo/c/CubeGUI/CubeGUI-4.8.1-GCCcore-11.3.0.eb
@@ -0,0 +1,60 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+#
+# Copyright:: Copyright 2018-2022 Juelich Supercomputing Centre, Germany
+# Authors:: Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'CubeGUI'
+version = '4.8.1'
+
+homepage = 'https://www.scalasca.org/software/cube-4.x/download.html'
+description = """
+Cube, which is used as performance report explorer for Scalasca and Score-P,
+is a generic tool for displaying a multi-dimensional performance space
+consisting of the dimensions (i) performance metric, (ii) call path, and
+(iii) system resource. Each dimension can be represented as a tree, where
+non-leaf nodes of the tree can be collapsed or expanded to achieve the
+desired level of granularity.
+
+This module provides the Cube graphical report explorer.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/cubegui/tags/cubegui-%(version)s']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['a8a2a62b4e587c012d3d32385bed7c500db14232419795e0f4272d1dcefc55bc']
+
+builddependencies = [
+ # use same binutils version that was used when building GCCcore
+ ('binutils', '2.38'),
+ ('CubeLib', '4.8.1'),
+]
+
+dependencies = [
+ ('Qt5', '5.15.5'),
+]
+
+sanity_check_paths = {
+ 'files': ['bin/cube', 'bin/cubegui-config',
+ ('lib/libcube4gui.a', 'lib64/libcube4gui.a'),
+ ('lib/libcube4gui.%s' % SHLIB_EXT, 'lib64/libcube4gui.%s' % SHLIB_EXT)],
+ 'dirs': ['include/cubegui', 'lib/cube-plugins'],
+}
+
+# CubeGUI (and other Qt apps that use OpenGl) crash from time to time
+# or don't show any output when using Qt's WebEngine with the default
+# KNOB_MAX_WORKER_THREADS value of 65535. Even with a value of 10 this
+# behavior doesn't vanish. Thus, don't use WebEngine at all, although
+# it makes nicer output.
+configopts = '--without-web-engine'
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/c/CubeLib/CubeLib-4.8.1-GCCcore-11.3.0.eb b/Golden_Repo/c/CubeLib/CubeLib-4.8.1-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..36411f277582f528eb9cca3e31a51431723095e9
--- /dev/null
+++ b/Golden_Repo/c/CubeLib/CubeLib-4.8.1-GCCcore-11.3.0.eb
@@ -0,0 +1,58 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+#
+# Copyright:: Copyright 2018-2022 Juelich Supercomputing Centre, Germany
+# Authors:: Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'CubeLib'
+version = '4.8.1'
+
+homepage = 'https://www.scalasca.org/software/cube-4.x/download.html'
+description = """
+Cube, which is used as performance report explorer for Scalasca and Score-P,
+is a generic tool for displaying a multi-dimensional performance space
+consisting of the dimensions (i) performance metric, (ii) call path, and
+(iii) system resource. Each dimension can be represented as a tree, where
+non-leaf nodes of the tree can be collapsed or expanded to achieve the
+desired level of granularity.
+
+This module provides the Cube general purpose C++ library component and
+command-line tools.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/cubelib/tags/cubelib-%(version)s']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = [
+ 'e4d974248963edab48c5d0fc5831146d391b0ae4632cccafe840bf5f12cd80a9', # cubelib-4.8.1.tar.gz
+]
+
+builddependencies = [
+ # use same binutils version that was used when building GCCcore
+ ('binutils', '2.38'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('zlib', '1.2.12'),
+]
+
+configopts = '--enable-shared'
+
+sanity_check_paths = {
+ 'files': ['bin/cubelib-config',
+ ('lib/libcube4.a', 'lib64/libcube4.a'),
+ ('lib/libcube4.%s' % SHLIB_EXT, 'lib64/libcube4.%s' % SHLIB_EXT)],
+ 'dirs': ['include/cubelib'],
+}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/c/CubeWriter/CubeWriter-4.8.1-GCCcore-11.3.0.eb b/Golden_Repo/c/CubeWriter/CubeWriter-4.8.1-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..da37ae465ca99f7fed980a0ddbcec45fe03e26c7
--- /dev/null
+++ b/Golden_Repo/c/CubeWriter/CubeWriter-4.8.1-GCCcore-11.3.0.eb
@@ -0,0 +1,57 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+#
+# Copyright:: Copyright 2018-2022 Juelich Supercomputing Centre, Germany
+# Authors:: Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'CubeWriter'
+version = '4.8.1'
+
+homepage = 'https://www.scalasca.org/software/cube-4.x/download.html'
+description = """
+Cube, which is used as performance report explorer for Scalasca and Score-P,
+is a generic tool for displaying a multi-dimensional performance space
+consisting of the dimensions (i) performance metric, (ii) call path, and
+(iii) system resource. Each dimension can be represented as a tree, where
+non-leaf nodes of the tree can be collapsed or expanded to achieve the
+desired level of granularity.
+
+This module provides the Cube high-performance C writer library component.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/cubew/tags/cubew-%(version)s']
+sources = ['cubew-%(version)s.tar.gz']
+checksums = [
+ '42cbd743d87c16e805c8e28e79292ab33de259f2cfba46f2682cb35c1bc032d6', # cubew-4.8.1.tar.gz
+]
+
+builddependencies = [
+ # use same binutils version that was used when building GCCcore
+ ('binutils', '2.38'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('zlib', '1.2.12'),
+]
+
+configopts = '--enable-shared'
+
+sanity_check_paths = {
+ 'files': ['bin/cubew-config',
+ ('lib/libcube4w.a', 'lib64/libcube4w.a'),
+ ('lib/libcube4w.%s' % SHLIB_EXT, 'lib64/libcube4w.%s' % SHLIB_EXT)],
+ 'dirs': ['include/cubew'],
+}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/c/cirq/Cirq-1.0.0-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/c/cirq/Cirq-1.0.0-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..83e70b11dd275137bb88315273cf6e7b2c7ea3fe
--- /dev/null
+++ b/Golden_Repo/c/cirq/Cirq-1.0.0-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,133 @@
+easyblock = 'PythonBundle'
+
+name = 'Cirq'
+version = '1.0.0'
+
+homepage = 'https://github.com/quantumlib/cirq'
+description = """A python framework for creating, editing,
+and invoking Noisy Intermediate Scale Quantum (NISQ) circuits."""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'pic': True}
+
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05'),
+ ('sympy', '1.11.1', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('protobuf-python', '3.19.4'),
+ ('networkx', '2.8.4'),
+ ('tqdm', '4.64.0'),
+ ('PyQuil', '3.3.3'),
+]
+
+exts_default_options = {
+ 'download_dep_fail': True,
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+ 'use_pip_for_deps': False,
+ 'sanity_pip_check': True,
+}
+
+
+exts_list = [
+ ('pyasn1-modules', '0.2.8', {
+ 'checksums': ['905f84c712230b2c592c19470d3ca8d552de726050d1d1716282a1f6146be65e'],
+ }),
+ ('cachetools', '4.2.4', {
+ 'checksums': ['89ea6f1b638d5a73a4f9226be57ac5e4f399d22770b92355f92dcb0f7f001693'],
+ }),
+ ('rsa', '4.9', {
+ 'checksums': ['e38464a49c6c85d7f1351b0126661487a7e0a14a50f1675ec50eb34d4f20ef21'],
+ }),
+ ('grpcio', '1.54.0', {
+ 'modulename': 'grpc',
+ 'source_tmpl': '%(name)s-%(version)s-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl',
+ 'checksums': ['48cb7af77238ba16c77879009003f6b22c23425e5ee59cb2c4c103ec040638a5'],
+ }),
+ ('grpcio-status', '1.48.2', {
+ 'modulename': 'grpc',
+ 'checksums': ['53695f45da07437b7c344ee4ef60d370fd2850179f5a28bb26d8e2aa1102ec11'],
+ }),
+ ('googleapis-common-protos', '1.56.4', {
+ 'modulename': 'google',
+ 'checksums': ['c25873c47279387cfdcbdafa36149887901d36202cb645a0e4f29686bf6e4417'],
+ }),
+ ('google_auth', '1.35.0', {
+ 'modulename': 'google.auth',
+ 'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl',
+ 'checksums': ['997516b42ecb5b63e8d80f5632c1a61dddf41d2a4c2748057837e06e00014258'],
+ }),
+ ('google-api-core', '1.32.0', {
+ 'modulename': 'google',
+ 'checksums': ['101c3c4cf8e7d53badd1dbca7071464353a04b17319a3dbb3a94eaa893da091c'],
+ }),
+ ('proto-plus', '1.22.2', {
+ 'modulename': 'proto',
+ 'checksums': ['0e8cda3d5a634d9895b75c573c9352c16486cb75deb0e078b5fda34db4243165'],
+ }),
+ ('duet', '0.2.8', {
+ 'source_tmpl': 'duet-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['db3193de2218ffd53a137f2ba5cdd3af988558613891fe5280c52708133d5ed6'],
+ }),
+ ('cirq-web', version, {
+ 'source_tmpl': 'cirq_web-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['e3ebc6043b5a6a2a4ba57a71ea9ea5bc487732527b4512961e4c4ce90b2f5744'],
+ }),
+ ('cirq-pasqal', version, {
+ 'source_tmpl': 'cirq_pasqal-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['1243aae6514aadb6a5e2f729da3d99904d20631e7d2a7fbaef69c7377a9158b5'],
+ }),
+ ('cirq-core', version, {
+ 'modulename': False,
+ 'source_tmpl': 'cirq_core-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['a1df552e99ab339121c40c7bf4d18ba542bba151dd8b5ac8c4c33b7b9d46ba10'],
+ }),
+ ('cirq-ionq', version, {
+ 'source_tmpl': 'cirq_ionq-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['31ff254a5b514736f79a92a186d473b3e40550c94ad36aeebddea1cb840fb065'],
+ }),
+ ('cirq-rigetti', version, {
+ 'source_tmpl': 'cirq_rigetti-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['a0ff2ac5dea2b175ced45ade23bd2bfc2f1d8d280b6a003b1dcdddfdd579c0bd'],
+ }),
+ ('cirq-aqt', version, {
+ 'source_tmpl': 'cirq_aqt-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['db7af0b40ceded8a5951f74f36e2235a873df519078e069a6e4d00fda4acd82d'],
+ }),
+ ('cirq-google', version, {
+ 'source_tmpl': 'cirq_google-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['8fd1df0fd97d1ee076c01a2b2ab86aac966692890fb2793a45ef2393a6ccc4ab'],
+ }),
+ ('cirq', version, {
+ 'source_tmpl': 'cirq-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['8d61feba1c8d2a37d82a53e2500fb2430ad8e0ca7c3e2562fbd554bea0d9d7f7'],
+ }),
+]
+
+
+# This easyconfig cirq=1.0.0 works with Stage 2023's protobuf==3.19.4, but requires
+# different versions of the following packages than the ones provided by:
+# 1) TensorFlow:
+# different: google-auth==2.16.0, grpcio==1.51.1, cachetools=='5.2.1'
+# same: pyasn1-modules=='0.2.8', rsa==4.9
+# 2) tensorboard:
+# different: google-auth==2.11.1, grpcio==1.49.1, cachetools=='5.2.0'
+# same: pyasn1-modules=='0.2.8', rsa==4.9
+
+# Therefore we make Cirq conflict with TensorFLow or tensorboard if they are loaded simultaneously
+modluafooter = """
+conflict("TensorFlow", "tensorboard")
+"""
+
+moduleclass = 'quantum'
diff --git a/Golden_Repo/d/DWave/DWave-6.3.0-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/d/DWave/DWave-6.3.0-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..181adbb8bfb4929cfde68cbdad5da09bde4c9e0e
--- /dev/null
+++ b/Golden_Repo/d/DWave/DWave-6.3.0-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,142 @@
+easyblock = 'PythonBundle'
+
+name = 'DWave'
+version = '6.3.0'
+
+homepage = 'https://docs.ocean.dwavesys.com'
+description = """Ocean software is a suite of tools D-Wave Systems for solving hard problems with quantum computers."""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'pic': True}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('networkx', '2.8.4'),
+ ('Flask', '2.2.2'),
+]
+
+
+exts_default_options = {
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+ 'sanity_pip_check': True,
+ 'download_dep_fail': True,
+ 'use_pip_for_deps': False,
+}
+exts_list = [
+ ('wrapt', '1.14.1', {
+ 'checksums': ['380a85cf89e0e69b7cfbe2ea9f765f004ff419f34194018a6827ac0e3edfed4d'],
+ }),
+ ('PySocks', '1.7.1', {
+ 'modulename': 'socks',
+ 'checksums': ['3f8804571ebe159c380ac6de37643bb4685970655d3bba243530d6558b799aa0'],
+ }),
+ ('blinker', '1.6.2', {
+ 'checksums': ['4afd3de66ef3a9f8067559fb7a1cbe555c17dcbe15971b05d1b625c3e7abe213'],
+ }),
+ ('Deprecated', '1.2.13', {
+ 'checksums': ['43ac5335da90c31c24ba028af536a91d41d53f9e6901ddb021bcc572ce44e38d'],
+ }),
+ ('rectangle_packer', '2.0.1', {
+ 'modulename': 'rpack',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86'
+ '_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl'],
+ 'checksums': ['06c6f1d55f12c38e11659125d86e23430e4296ccff3584b3084e4d89197f4b62'],
+ }),
+ ('fasteners', '0.18', {
+ 'checksums': ['cb7c13ef91e0c7e4fe4af38ecaf6b904ec3f5ce0dda06d34924b6b74b869d953'],
+ }),
+ ('plucky', '0.4.3', {
+ 'checksums': ['5bc75d43ae6b40f1b7ba42000b37e4934fa6bd2d6a6cd4e47461f803a404c194'],
+ }),
+ ('homebase', '1.0.1', {
+ 'checksums': ['9ee008df4298b420852d815e6df488822229c4bd8d571bcd0a454e04232c635e'],
+ }),
+ ('diskcache', '5.6.1', {
+ 'checksums': ['e4c978532feff5814c4cc00fe1e11e40501985946643d73220d41ee7737c72c3'],
+ }),
+ ('penaltymodel', '1.0.2', {
+ 'checksums': ['551e1a04ebf4ae18613cac52e37b6fa8c1959972756705354cdccee66a3ef461'],
+ }),
+ ('dwave_samplers', '1.0.0', {
+ 'modulename': 'dwave.samplers',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl'],
+ 'checksums': ['37955b2fda93c0fccbac63491a3c5ae0b7dbbd27a834e41698d5391db187afd1'],
+ }),
+ ('dwave_networkx', '0.8.13', {
+ 'modulename': 'dwave_networkx',
+ 'checksums': ['01247c2ce63f9e6097497333968757ce097d2809b81fd9f5686652a56674e96c'],
+ }),
+ ('dwavebinarycsp', '0.2.0', {
+ 'checksums': ['7a5cf530e4a7c1288055c9b9fd0d3032175b06d19da7642fe5724dc85050ea1e'],
+ }),
+ ('pyqubo', '1.4.0', {
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl'],
+ 'checksums': ['8a3e69633f060c2a8c7cce949e5476e4a295820c842f0be79bd716fb013521e8'],
+ }),
+ ('minorminer', '0.2.11', {
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl'],
+ 'checksums': ['e5a39b7e01281e2443f0a3d40a783ac200ebd0a04f5fdd647e35650969ce4d2a'],
+ }),
+ ('dwave_preprocessing', '0.5.4', {
+ 'modulename': 'dwave.preprocessing',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl'],
+ 'checksums': ['0a7ce755267decdf725daddd233e6f80a69e31d2b6c12a22006b5ba47e338272'],
+ }),
+ ('dwave-tabu', '0.5.0', {
+ 'modulename': 'tabu',
+ 'checksums': ['dcc73883ec491dea2656c8239dc66e9c9871e7f75852be57ea4cec6bccd48d54'],
+ }),
+ ('dwave-system', '1.18.0', {
+ 'modulename': 'dwave.system',
+ 'checksums': ['c35e0d4bab57a8e725cdc929a8de869b773113021b7431904875d391118e3fb7'],
+ }),
+ ('dwave-hybrid', '0.6.10', {
+ 'modulename': 'hybrid',
+ 'checksums': ['35ab1a892444754fd61c8ef7ebb965fda30cc5f04b8f415ff5e07581bb155afc'],
+ }),
+ ('dwave-inspector', '0.4.1', {
+ 'modulename': 'dwave.inspector',
+ 'checksums': ['fead5b8600dc724691b1a30bb47a6520ffe8c92a458239bec2de30c0cf464de3'],
+ }),
+ ('pydantic', '1.10.4', { # also on PyQuil, pulled here to avoid bokeh/distributed/dask vs ipython tornado issue
+ 'checksums': ['b9a3859f24eb4e097502a3be1fb4b2abb79b6103dd9e2e0edb70613a4459a648'],
+ }),
+ ('dwave-cloud-client', '0.10.4', {
+ 'modulename': 'dwave.cloud',
+ 'checksums': ['3288f395eaa34bb0873ad08cbe1653acba960791487ae58d5f7ef3830e7f131b'],
+ }),
+ ('dwave-neal', '0.6.0', {
+ 'modulename': 'neal',
+ 'checksums': ['8ce51fee3339195df1ab69920fdb5afc496b5fd945e487fad3547c983d90c564'],
+ }),
+ ('dimod', '0.12.3', {
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl'],
+ 'checksums': ['a269638fc526480274728fd299aed9d7e0c5fcbe18483d23195503dcce436f4a'],
+ }),
+ ('dwave-greedy', '0.3.0', {
+ 'modulename': 'greedy',
+ 'checksums': ['806c02d6c3f260ef5bf063d4932f43dfb52a0ea00f9db0b0d34d9b15691a011a'],
+ }),
+ ('dwave-ocean-sdk', version, {
+ 'modulename': 'dwave.system',
+ 'checksums': ['0a5a069a576f4a8c8e34223c3d4353e4a4dfbe4d3061264e6e9c35c6b0d423af'],
+ }),
+ ('dwave-drivers', '0.4.4', {
+ 'modulename': 'dwave.drivers',
+ 'pip_no_index': True,
+ 'source_tmpl': 'dwave_drivers-%(version)s-py3-none-any.whl',
+ 'source_urls': ['https://pypi.dwavesys.com/simple/%(name)s'],
+ 'checksums': ['8e5b37e97be7610c00005e5f8a3c10f27f7cec4bd2b88c80f9c6fef8172a3c3f'],
+ }),
+ ('dwave-inspectorapp', '0.3.1', {
+ 'modulename': 'dwave.inspector',
+ 'pip_no_index': True,
+ 'source_tmpl': 'dwave_inspectorapp-%(version)s-py3-none-any.whl',
+ 'source_urls': ['https://pypi.dwavesys.com/simple/%(name)s'],
+ 'checksums': ['8dd10718c27373912fefe54d8c9eb518b89caed7ac554c7c4d757e8afe864939'],
+ }),
+]
+
+moduleclass = 'quantum'
diff --git a/Golden_Repo/d/dask/dask-2022.10.2-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/d/dask/dask-2022.12.0-gcccoremkl-11.3.0-2022.1.0.eb
similarity index 91%
rename from Golden_Repo/d/dask/dask-2022.10.2-gcccoremkl-11.3.0-2022.1.0.eb
rename to Golden_Repo/d/dask/dask-2022.12.0-gcccoremkl-11.3.0-2022.1.0.eb
index d60920e8d99b343404d8bdab3d2678622e2aba11..4224d15d49cbee27409ae07d0c4e380d0360f39f 100644
--- a/Golden_Repo/d/dask/dask-2022.10.2-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/d/dask/dask-2022.12.0-gcccoremkl-11.3.0-2022.1.0.eb
@@ -1,7 +1,7 @@
easyblock = 'PythonBundle'
name = 'dask'
-version = '2022.10.2'
+version = '2022.12.0'
homepage = 'https://dask.org/'
description = """Dask natively scales Python. Dask provides advanced parallelism for analytics, enabling performance
@@ -44,10 +44,10 @@ exts_list = [
'checksums': ['3f4219469c55453cfe4737e564b67c2a149109dabf7f242478948b895f61106f'],
}),
(name, version, {
- 'checksums': ['42cb43f601709575fa46ce09e74bea83fdd464187024f56954e09d9b428ceaab'],
+ 'checksums': ['159acc4a65f2ea042b453f12dee66fd515a159f4b3b9ca0d08c18cae485a2be0'],
}),
('distributed', version, {
- 'checksums': ['53f0a5bf6efab9a5ab3345cd913f6d3f3d4ea444ee2edbea331c7fef96fd67d0'],
+ 'checksums': ['d93707757f7fa3b2b803e43f6c14c41c3e453e9714bca8bf3013d3bf083c18ce'],
}),
('dask-mpi', '2022.4.0', {
'checksums': ['0a04f1d7d35a06cdff506593330d4414ea242c9172498ce191f5742eac499e17'],
diff --git a/Golden_Repo/d/dill/dill-0.3.6-GCCcore-11.3.0.eb b/Golden_Repo/d/dill/dill-0.3.6-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..377eb58517a1ec09df52b4765453a6cfe1288e96
--- /dev/null
+++ b/Golden_Repo/d/dill/dill-0.3.6-GCCcore-11.3.0.eb
@@ -0,0 +1,27 @@
+# This easyconfig was created by Simon Branford of the BEAR Software team at the University of Birmingham.
+easyblock = 'PythonPackage'
+
+name = 'dill'
+version = '0.3.6'
+
+homepage = 'https://pypi.org/project/dill/'
+description = """dill extends python's pickle module for serializing and de-serializing python objects to the majority
+ of the built-in python types. Serialization is the process of converting an object to a byte stream, and the inverse
+ of which is converting a byte stream back to on python object hierarchy."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['e5db55f3687856d8fbdab002ed78544e1c4559a130302693d839dfe8f93f2373']
+
+builddependencies = [('binutils', '2.38')]
+
+dependencies = [
+ ('Python', '3.10.4'),
+]
+
+use_pip = True
+download_dep_fail = True
+sanity_pip_check = True
+
+moduleclass = 'data'
diff --git a/Golden_Repo/d/distributed/distributed-2.30.1-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/d/distributed/distributed-2.30.1-gcccoremkl-11.3.0-2022.1.0.eb
deleted file mode 100644
index 7f93f1c3b73d9ea6ba84d7a898d5eaa666c30a93..0000000000000000000000000000000000000000
--- a/Golden_Repo/d/distributed/distributed-2.30.1-gcccoremkl-11.3.0-2022.1.0.eb
+++ /dev/null
@@ -1,43 +0,0 @@
-easyblock = 'Bundle'
-
-name = 'distributed'
-version = '2022.10.2'
-
-homepage = 'https://distributed.readthedocs.io/'
-description = """Dask.distributed is a lightweight library for distributed computing in Python.
- It extends both the concurrent.futures and dask APIs to moderate sized clusters."""
-
-toolchain = {'name': 'foss', 'version': '2022a'}
-
-
-# this is a bundle of Python packages
-exts_defaultclass = 'PythonPackage'
-
-dependencies = [
- ('Python', '3.10.4'),
- ('dask', '2022.10.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
- ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
- ('bokeh', '2.4.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
-]
-
-
-exts_default_options = {
- 'source_urls': [PYPI_SOURCE],
- 'sanity_pip_check': True,
-}
-
-exts_list = [
- (name, version, {
- 'source_urls': ['https://pypi.python.org/packages/source/d/distributed'],
- 'checksums': ['53f0a5bf6efab9a5ab3345cd913f6d3f3d4ea444ee2edbea331c7fef96fd67d0'],
- }),
-]
-
-sanity_check_paths = {
- 'files': ['bin/dask-scheduler', 'bin/dask-ssh', 'bin/dask-worker'],
- 'dirs': ['lib/python%(pyshortver)s/site-packages'],
-}
-
-modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
-
-moduleclass = 'tools'
diff --git a/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-foss-2022a.eb b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..04ad4280c84d1afbb14756acd629dde63c529a73
--- /dev/null
+++ b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-foss-2022a.eb
@@ -0,0 +1,42 @@
+name = 'ELPA'
+version = '2022.11.001.rc1'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
+sources = ['elpa-new_release_%(version)s.tar.gz']
+patches = ['%(name)s-%(version)s_fix_hardcoded_perl_path.patch']
+checksums = [
+ {'elpa-new_release_2022.11.001.rc1.tar.gz': 'dfd5fa9cc6da8af4c4c0505feaf3b212df7380a3a58ce34181d0c750c20d018d'},
+ {'ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch':
+ '1088c190a9ccfa3d88ce760bcf9de9300288cd1e4606ff79c2b66f5189a0ac72'},
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('Python', '3.10.4'),
+ ('Perl', '5.34.1'),
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
+preconfigopts += 'autoreconf && '
+configopts = '--without-threading-support-check-during-build '
+with_single = False
+maxparallel = 1
+modextravars = {
+ 'ELPA_ROOT': '%(installdir)s',
+ 'ELPAROOT': '%(installdir)s',
+ 'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/',
+ 'ELPA_INCLUDE_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/',
+ 'ELPA_LIB': '%(installdir)s/lib',
+ 'ELPA_LIB_OPENMP': '%(installdir)s/lib',
+ 'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules',
+ 'ELPA_MODULES_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/modules',
+}
+
+moduleclass = 'math'
diff --git a/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-gpsmkl-2022a.eb b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0908512fdef8a9be9ba094a904b788a0df2923ac
--- /dev/null
+++ b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-gpsmkl-2022a.eb
@@ -0,0 +1,79 @@
+name = 'ELPA'
+version = '2022.11.001.rc1'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications. ELPA has been installed as module in
+$EBROOTELPA ($ELPA_ROOT is also defined). This installation
+contains the pure MPI version and the hybrid MPI/OpenMP version.
+Notice: If you want to use OpenMP threads you have to set
+export ELPA_DEFAULT_omp=<number of threads per MPI process>
+in your batch job and start MPI with MPI_INIT_THREAD(MPI_THREAD_MULTIPLE,....
+
+Several assembly kernels have been compiled. They can be chosen at runtime when calling the library or
+with the environment variables REAL_ELPA_KERNEL or COMPLEX_ELPA_KERNEL.
+
+An example is
+export REAL_ELPA_KERNEL=REAL_ELPA_KERNEL_GENERIC
+which chooses the generic real kernel for elpa2.
+Starting with version 2019.11.001 the legacy interface is no longer available.
+"""
+
+usage = """You can get an overview over the available kernels by loading ELPA and then submitting a batch job with
+
+srun --ntasks=1 $EBROOTELPA/bin/elpa2_print_kernels
+
+Programs using this ELPA library have to be compiled with
+
+-I$ELPA_INCLUDE[_OPENMP]/ -I$ELPA_INCLUDE[_OPENMP]/elpa -I$ELPA_MODULES[_OPENMP]
+
+and linked with
+
+-L$EBROOTELPA/lib -lelpa[_openmp]
+-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_gf_lp64
+-lmkl_sequential[-lmkl_gnu_thread]
+-lmkl_core -lgomp -lpthread -lm -ldl -lstdc++
+"""
+
+examples = 'Examples can be found in $EBROOTELPA/examples'
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
+sources = ["elpa-new_release_%(version)s.tar.gz"]
+patches = ['%(name)s-%(version)s_fix_hardcoded_perl_path.patch']
+checksums = [
+ {'elpa-new_release_2022.11.001.rc1.tar.gz': 'dfd5fa9cc6da8af4c4c0505feaf3b212df7380a3a58ce34181d0c750c20d018d'},
+ {'ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch':
+ '1088c190a9ccfa3d88ce760bcf9de9300288cd1e4606ff79c2b66f5189a0ac72'},
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ # remove_xcompiler script requires 'python' command,
+ ('Python', '3.10.4'),
+ ('Perl', '5.34.1'),
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
+preconfigopts += 'autoreconf && '
+
+configopts = '--without-threading-support-check-during-build '
+
+with_single = False
+
+maxparallel = 1
+
+modextravars = {
+ 'ELPA_ROOT': '%(installdir)s',
+ 'ELPAROOT': '%(installdir)s',
+ 'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/',
+ 'ELPA_INCLUDE_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/',
+ 'ELPA_LIB': '%(installdir)s/lib',
+ 'ELPA_LIB_OPENMP': '%(installdir)s/lib',
+ 'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules',
+ 'ELPA_MODULES_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/modules',
+}
+
+moduleclass = 'math'
diff --git a/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-intel-para-2022a.eb b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..966537c00da53dd193ccc31d6c6dce13b42784da
--- /dev/null
+++ b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-intel-para-2022a.eb
@@ -0,0 +1,78 @@
+name = 'ELPA'
+version = '2022.11.001.rc1'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications. ELPA has been installed as module in
+$EBROOTELPA ($ELPA_ROOT is also defined). This installation
+contains the pure MPI version and the hybrid MPI/OpenMP version.
+Notice: If you want to use OpenMP threads you have to set
+export ELPA_DEFAULT_omp=<number of threads per MPI process>
+in your batch job and start MPI with MPI_INIT_THREAD(MPI_THREAD_MULTIPLE,....
+
+Several assembly kernels have been compiled. They can be chosen at runtime when calling the library or
+with the environment variables REAL_ELPA_KERNEL or COMPLEX_ELPA_KERNEL.
+
+An example is
+export REAL_ELPA_KERNEL=REAL_ELPA_KERNEL_GENERIC
+which chooses the generic real kernel for elpa2.
+Starting with version 2019.11.001 the legacy interface is no longer available.
+"""
+
+usage = """You can get an overview over the available kernels by loading ELPA and then submitting a batch job with
+
+srun --ntasks=1 $EBROOTELPA/bin/elpa2_print_kernels
+
+Programs using this ELPA library have to be compiled with
+
+-I$ELPA_INCLUDE[_OPENMP]/ -I$ELPA_INCLUDE[_OPENMP]/elpa -I$ELPA_MODULES[_OPENMP]
+
+and linked with
+
+-L$EBROOTELPA/lib -lelpa[_openmp]
+-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64
+-lmkl_sequential[-lmkl_intel_thread]
+-lmkl_core -liomp5 -lpthread -lstdc++
+"""
+
+examples = 'Examples can be found in $EBROOTELPA/examples'
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
+sources = ["elpa-new_release_%(version)s.tar.gz"]
+patches = ['%(name)s-%(version)s_fix_hardcoded_perl_path.patch']
+checksums = [
+ {'elpa-new_release_2022.11.001.rc1.tar.gz': 'dfd5fa9cc6da8af4c4c0505feaf3b212df7380a3a58ce34181d0c750c20d018d'},
+ {'ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch':
+ '1088c190a9ccfa3d88ce760bcf9de9300288cd1e4606ff79c2b66f5189a0ac72'},
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ # remove_xcompiler script requires 'python' command,
+ ('Python', '3.10.4'),
+ ('Perl', '5.34.1'),
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'autoreconf && '
+
+configopts = '--without-threading-support-check-during-build '
+
+with_single = False
+
+maxparallel = 1
+
+modextravars = {
+ 'ELPA_ROOT': '%(installdir)s',
+ 'ELPAROOT': '%(installdir)s',
+ 'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/',
+ 'ELPA_INCLUDE_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/',
+ 'ELPA_LIB': '%(installdir)s/lib',
+ 'ELPA_LIB_OPENMP': '%(installdir)s/lib',
+ 'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules',
+ 'ELPA_MODULES_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/modules',
+}
+
+moduleclass = 'math'
diff --git a/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch
new file mode 100644
index 0000000000000000000000000000000000000000..bf7cb71c89992a0c537487a64a844938112cab18
--- /dev/null
+++ b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch
@@ -0,0 +1,40 @@
+--- elpa-new_release_2022.11.001.rc1/fdep/fortran_dependencies.pl 2023-02-09 09:33:15.571125000 +0100
++++ elpa-new_release_2022.11.001.rc1_ok/fdep/fortran_dependencies.pl 2023-02-09 09:35:04.768695000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+ #
+ # Copyright 2015 Lorenz Hüdepohl
+ #
+--- elpa-new_release_2022.11.001.rc1/test_project_1stage/fdep/fortran_dependencies.pl 2023-02-09 09:32:46.109982000 +0100
++++ elpa-new_release_2022.11.001.rc1_ok/test_project_1stage/fdep/fortran_dependencies.pl 2023-02-09 09:35:23.783036000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+
+--- elpa-new_release_2022.11.001.rc1/test_project_2stage/fdep/fortran_dependencies.pl 2023-02-09 09:33:16.418735000 +0100
++++ elpa-new_release_2022.11.001.rc1_ok/test_project_2stage/fdep/fortran_dependencies.pl 2023-02-09 09:35:45.256102000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+
+--- elpa-new_release_2022.11.001.rc1/test_project_C/fdep/fortran_dependencies.pl 2023-02-09 09:33:18.588180000 +0100
++++ elpa-new_release_2022.11.001.rc1_ok/test_project_C/fdep/fortran_dependencies.pl 2023-02-09 09:36:05.544582000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+
+--- elpa-new_release_2022.11.001.rc1/test_project_C_2stage/fdep/fortran_dependencies.pl 2023-02-09 09:32:39.459260000 +0100
++++ elpa-new_release_2022.11.001.rc1_ok/test_project_C_2stage/fdep/fortran_dependencies.pl 2023-02-09 09:36:23.381596000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+
diff --git a/Golden_Repo/e/ESMF/ESMF-6.1.1_libopts.patch b/Golden_Repo/e/ESMF/ESMF-6.1.1_libopts.patch
new file mode 100644
index 0000000000000000000000000000000000000000..0d03f780590a4db90e7626da4e1a12552d6d42e0
--- /dev/null
+++ b/Golden_Repo/e/ESMF/ESMF-6.1.1_libopts.patch
@@ -0,0 +1,11 @@
+--- esmf/build/common.mk.orig 2013-11-26 16:58:50.958274359 +0100
++++ esmf/build/common.mk 2013-11-26 16:59:02.339274158 +0100
+@@ -896,7 +896,7 @@
+ endif
+ ESMF_SL_LIBS_TO_MAKE = libesmf
+ ESMF_SL_LIBLINKER = $(ESMF_CXXCOMPILER)
+-ESMF_SL_LIBOPTS +=
++ESMF_SL_LIBOPTS += $(ESMF_CXXCOMPILEOPTS)
+ ESMF_SL_LIBLIBS +=
+
+ # - Shared objects
diff --git a/Golden_Repo/e/ESMF/ESMF-8.4.1-intel-para-2022a.eb b/Golden_Repo/e/ESMF/ESMF-8.4.1-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2c07155636da0dce0f8bc1da9d47e15488386cba
--- /dev/null
+++ b/Golden_Repo/e/ESMF/ESMF-8.4.1-intel-para-2022a.eb
@@ -0,0 +1,53 @@
+name = 'ESMF'
+version = '8.4.1'
+
+homepage = 'https://www.earthsystemcog.org/projects/esmf/'
+description = """The Earth System Modeling Framework (ESMF) is a suite of software tools for developing
+ high-performance, multi-component Earth science modeling applications."""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'usempi': True, 'openmp': True, 'cstd': 'c++11', 'pic': True}
+
+source_urls = ['https://github.com/esmf-org/esmf/archive/']
+sources = ['v%(version)s.tar.gz']
+patches = ['ESMF-6.1.1_libopts.patch']
+checksums = [
+ {'v8.4.1.tar.gz': '1b54cee91aacaa9df400bd284614cbb0257e175f6f3ec9977a2d991ed8aa1af6'},
+ {'ESMF-6.1.1_libopts.patch': '3851627f07c32a7da55d99072d619942bd3a1d9dd002e1557716158e7aacdaf4'},
+]
+
+builddependencies = [('CMake', '3.23.1')]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('netCDF-Fortran', '4.6.0'),
+ ('netCDF-C++4', '4.3.1'),
+ ('libarchive', '3.6.1'),
+ ('PnetCDF', '1.12.3'),
+]
+
+
+# ESMF ignores xxFLAGS
+preconfigopts = 'export ESMF_BOPT="O" && '
+preconfigopts += 'export ESMF_OPTLEVEL="2" && '
+preconfigopts += 'export ESMF_PNETCDF="standard && '
+preconfigopts += 'export ESMF_PNETCDF_INCLUDE=$EBROOTPNETCDF/include && '
+preconfigopts += 'export ESMF_PNETCDF_LIBPATH=$EBROOTPNETCDF/lib && '
+preconfigopts += 'export ESMF_PNETCDF_LIBS=-lpnetcdf && '
+
+preinstallopts = 'export ESMF_CXXLINKOPTS="-lmpifort" && '
+preinstallopts += 'export ESMF_NETCDF_LIBS="$ESMF_NETCDF_LIBS -L${PNETCDF}/lib -lpnetcdf" &&'
+preinstallopts += 'export ESMF_PNETCDF_INCLUDE=$EBROOTPNETCDF/include && '
+preinstallopts += 'export ESMF_PNETCDF_LIBPATH=$EBROOTPNETCDF/lib && '
+preinstallopts += 'export ESMF_PNETCDF_LIBS=-lpnetcdf && '
+
+
+# disable errors from GCC 10 on mismatches between actual and dummy argument lists (GCC 9 behaviour)
+# prebuildopts = 'ESMF_F90COMPILEOPTS="${ESMF_F90COMPILEOPTS} -fallow-argument-mismatch"'
+
+buildopts = 'ESMF_NETCDF_INCLUDE=$EBROOTNETCDFMINFORTRAN/include '
+
+# too parallel causes the build to become really slow
+maxparallel = 16
+
+moduleclass = 'geo'
diff --git a/Golden_Repo/e/Embree/Embree-3.13.5-GCC-11.3.0.eb b/Golden_Repo/e/Embree/Embree-3.13.5-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..403a9b8158dd994dafd5a8c49750f1d84f4cf0a8
--- /dev/null
+++ b/Golden_Repo/e/Embree/Embree-3.13.5-GCC-11.3.0.eb
@@ -0,0 +1,59 @@
+easyblock = 'CMakeMake'
+
+name = 'Embree'
+version = '3.13.5'
+
+homepage = 'https://www.embree.org/'
+description = """
+Embree is a collection of high-performance ray tracing kernels, developed at Intel. The target user of Embree are
+graphics application engineers that want to improve the performance of their application by leveraging the optimized ray
+tracing kernels of Embree. The kernels are optimized for photo-realistic rendering on the latest Intel processors with
+support for SSE, AVX, AVX2, and AVX512.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+toolchainopts = {'optarch': True, 'pic': True}
+
+source_urls = ['https://github.com/embree/embree/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['b8c22d275d9128741265537c559d0ea73074adbf2f2b66b0a766ca52c52d665b']
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('pkgconf', '1.8.0'),
+ ('ispc', '1.18.1', '', SYSTEM),
+]
+
+dependencies = [
+ ('X11', '20220504'),
+ ('OpenGL', '2022a'),
+ ('freeglut', '3.4.0'),
+ ('libpng', '1.6.37'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('ImageMagick', '7.1.0-37'),
+ ('OpenEXR', '3.1.5'),
+]
+
+separate_build_dir = True
+
+configopts = '-DCMAKE_BUILD_TYPE=Release '
+configopts += '-DEMBREE_ISPC_SUPPORT=ON '
+configopts += '-DEMBREE_TASKING_SYSTEM=INTERNAL '
+# Select highest supported ISA (SSE2, SSE4.2, AVX, AVX2, AVX512KNL, AVX512SKX, or NONE)
+configopts += '-DEMBREE_MAX_ISA=AVX2 '
+configopts += '-DEMBREE_GEOMETRY_HAIR:BOOL=ON '
+configopts += '-DEMBREE_GEOMETRY_LINES:BOOL=OFF '
+configopts += '-DEMBREE_GEOMETRY_QUADS:BOOL=OFF '
+configopts += '-DEMBREE_GEOMETRY_SUBDIV:BOOL=OFF '
+configopts += '-DEMBREE_TUTORIALS=OFF '
+
+sanity_check_paths = {
+ 'dirs': ['include/embree3'],
+ 'files': ['lib64/libembree3.so']
+}
+
+modextrapaths = {
+ 'CMAKE_MODULE_PATH': 'lib64/cmake/embree-%(version)s/'
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/e/ecCodes/ecCodes-2.27.0-gompi-2022a.eb b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..3641581f22c451665d0fe098c9550ae503c827fe
--- /dev/null
+++ b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-gompi-2022a.eb
@@ -0,0 +1,46 @@
+easyblock = 'CMakeMake'
+
+name = 'ecCodes'
+version = '2.27.0'
+
+homepage = 'https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home'
+description = """ecCodes is a package developed by ECMWF which provides an application programming interface and
+ a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2,
+ WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding)."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'usempi': False}
+
+source_urls = ['https://confluence.ecmwf.int/download/attachments/45757960/']
+sources = ['eccodes-%(version)s-Source.tar.gz']
+checksums = ['ede5b3ffd503967a5eac89100e8ead5e16a881b7585d02f033584ed0c4269c99']
+
+builddependencies = [('CMake', '3.23.1')]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('JasPer', '2.0.33'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('zlib', '1.2.12'),
+ ('libaec', '1.0.6'),
+]
+
+# Python bindings are provided by a separate package 'eccodes-python'
+configopts = "-DENABLE_NETCDF=ON -DENABLE_PNG=ON -DENABLE_PYTHON=OFF "
+configopts += "-DENABLE_JPG=ON -DENABLE_JPG_LIBJASPER=ON "
+configopts += "-DENABLE_ECCODES_THREADS=ON" # multi-threading with pthreads
+
+local_exes = ['%s_%s' % (a, b)
+ for a in ['bufr', 'grib', 'gts', 'metar']
+ for b in ['compare', 'copy', 'dump', 'filter', 'get', 'ls']]
+local_exes += ['codes_%s' % c for c in ['count', 'info', 'split_file']]
+
+sanity_check_paths = {
+ 'files': ['bin/%s' % x for x in local_exes] +
+ ['lib/libeccodes_f90.%s' % SHLIB_EXT,
+ 'lib/libeccodes.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/e/ecCodes/ecCodes-2.27.0-gpsmpi-2022a.eb b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5b634e318befb3dc27b3b6db0bce7fec9084a79d
--- /dev/null
+++ b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-gpsmpi-2022a.eb
@@ -0,0 +1,46 @@
+easyblock = 'CMakeMake'
+
+name = 'ecCodes'
+version = '2.27.0'
+
+homepage = 'https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home'
+description = """ecCodes is a package developed by ECMWF which provides an application programming interface and
+ a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2,
+ WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding)."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': False}
+
+source_urls = ['https://confluence.ecmwf.int/download/attachments/45757960/']
+sources = ['eccodes-%(version)s-Source.tar.gz']
+checksums = ['ede5b3ffd503967a5eac89100e8ead5e16a881b7585d02f033584ed0c4269c99']
+
+builddependencies = [('CMake', '3.23.1')]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('JasPer', '2.0.33'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('zlib', '1.2.12'),
+ ('libaec', '1.0.6'),
+]
+
+# Python bindings are provided by a separate package 'eccodes-python'
+configopts = "-DENABLE_NETCDF=ON -DENABLE_PNG=ON -DENABLE_PYTHON=OFF "
+configopts += "-DENABLE_JPG=ON -DENABLE_JPG_LIBJASPER=ON "
+configopts += "-DENABLE_ECCODES_THREADS=ON" # multi-threading with pthreads
+
+local_exes = ['%s_%s' % (a, b)
+ for a in ['bufr', 'grib', 'gts', 'metar']
+ for b in ['compare', 'copy', 'dump', 'filter', 'get', 'ls']]
+local_exes += ['codes_%s' % c for c in ['count', 'info', 'split_file']]
+
+sanity_check_paths = {
+ 'files': ['bin/%s' % x for x in local_exes] +
+ ['lib/libeccodes_f90.%s' % SHLIB_EXT,
+ 'lib/libeccodes.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/e/ecCodes/ecCodes-2.27.0-ipsmpi-2022a.eb b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8eeaa2d145beda3070a4561be64f77b66449a6d7
--- /dev/null
+++ b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-ipsmpi-2022a.eb
@@ -0,0 +1,46 @@
+easyblock = 'CMakeMake'
+
+name = 'ecCodes'
+version = '2.27.0'
+
+homepage = 'https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home'
+description = """ecCodes is a package developed by ECMWF which provides an application programming interface and
+ a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2,
+ WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding)."""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': False}
+
+source_urls = ['https://confluence.ecmwf.int/download/attachments/45757960/']
+sources = ['eccodes-%(version)s-Source.tar.gz']
+checksums = ['ede5b3ffd503967a5eac89100e8ead5e16a881b7585d02f033584ed0c4269c99']
+
+builddependencies = [('CMake', '3.23.1')]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('JasPer', '2.0.33'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('zlib', '1.2.12'),
+ ('libaec', '1.0.6'),
+]
+
+# Python bindings are provided by a separate package 'eccodes-python'
+configopts = "-DENABLE_NETCDF=ON -DENABLE_PNG=ON -DENABLE_PYTHON=OFF "
+configopts += "-DENABLE_JPG=ON -DENABLE_JPG_LIBJASPER=ON "
+configopts += "-DENABLE_ECCODES_THREADS=ON" # multi-threading with pthreads
+
+local_exes = ['%s_%s' % (a, b)
+ for a in ['bufr', 'grib', 'gts', 'metar']
+ for b in ['compare', 'copy', 'dump', 'filter', 'get', 'ls']]
+local_exes += ['codes_%s' % c for c in ['count', 'info', 'split_file']]
+
+sanity_check_paths = {
+ 'files': ['bin/%s' % x for x in local_exes] +
+ ['lib/libeccodes_f90.%s' % SHLIB_EXT,
+ 'lib/libeccodes.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/e/ecCodes/ecCodes-2.27.0-npsmpic-2022a.eb b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..01855f1c4d53014f6b838b1c24f54b68f87c45f9
--- /dev/null
+++ b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-npsmpic-2022a.eb
@@ -0,0 +1,46 @@
+easyblock = 'CMakeMake'
+
+name = 'ecCodes'
+version = '2.27.0'
+
+homepage = 'https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home'
+description = """ecCodes is a package developed by ECMWF which provides an application programming interface and
+ a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2,
+ WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding)."""
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+toolchainopts = {'usempi': False}
+
+source_urls = ['https://confluence.ecmwf.int/download/attachments/45757960/']
+sources = ['eccodes-%(version)s-Source.tar.gz']
+checksums = ['ede5b3ffd503967a5eac89100e8ead5e16a881b7585d02f033584ed0c4269c99']
+
+builddependencies = [('CMake', '3.23.1')]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('JasPer', '2.0.33'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('zlib', '1.2.12'),
+ ('libaec', '1.0.6'),
+]
+
+# Python bindings are provided by a separate package 'eccodes-python'
+configopts = "-DENABLE_NETCDF=ON -DENABLE_PNG=ON -DENABLE_PYTHON=OFF "
+configopts += "-DENABLE_JPG=ON -DENABLE_JPG_LIBJASPER=ON "
+configopts += "-DENABLE_ECCODES_THREADS=ON" # multi-threading with pthreads
+
+local_exes = ['%s_%s' % (a, b)
+ for a in ['bufr', 'grib', 'gts', 'metar']
+ for b in ['compare', 'copy', 'dump', 'filter', 'get', 'ls']]
+local_exes += ['codes_%s' % c for c in ['count', 'info', 'split_file']]
+
+sanity_check_paths = {
+ 'files': ['bin/%s' % x for x in local_exes] +
+ ['lib/libeccodes_f90.%s' % SHLIB_EXT,
+ 'lib/libeccodes.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/e/ecCodes/ecCodes-2.27.0-nvompic-2022a.eb b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d3cdd55db8d2b34044eccf72a5d4e166c44d5004
--- /dev/null
+++ b/Golden_Repo/e/ecCodes/ecCodes-2.27.0-nvompic-2022a.eb
@@ -0,0 +1,46 @@
+easyblock = 'CMakeMake'
+
+name = 'ecCodes'
+version = '2.27.0'
+
+homepage = 'https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home'
+description = """ecCodes is a package developed by ECMWF which provides an application programming interface and
+ a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2,
+ WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding)."""
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+toolchainopts = {'usempi': False}
+
+source_urls = ['https://confluence.ecmwf.int/download/attachments/45757960/']
+sources = ['eccodes-%(version)s-Source.tar.gz']
+checksums = ['ede5b3ffd503967a5eac89100e8ead5e16a881b7585d02f033584ed0c4269c99']
+
+builddependencies = [('CMake', '3.23.1')]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('JasPer', '2.0.33'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('zlib', '1.2.12'),
+ ('libaec', '1.0.6'),
+]
+
+# Python bindings are provided by a separate package 'eccodes-python'
+configopts = "-DENABLE_NETCDF=ON -DENABLE_PNG=ON -DENABLE_PYTHON=OFF "
+configopts += "-DENABLE_JPG=ON -DENABLE_JPG_LIBJASPER=ON "
+configopts += "-DENABLE_ECCODES_THREADS=ON" # multi-threading with pthreads
+
+local_exes = ['%s_%s' % (a, b)
+ for a in ['bufr', 'grib', 'gts', 'metar']
+ for b in ['compare', 'copy', 'dump', 'filter', 'get', 'ls']]
+local_exes += ['codes_%s' % c for c in ['count', 'info', 'split_file']]
+
+sanity_check_paths = {
+ 'files': ['bin/%s' % x for x in local_exes] +
+ ['lib/libeccodes_f90.%s' % SHLIB_EXT,
+ 'lib/libeccodes.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/f/FFTW/FFTW-3.3.10-gompi-2022a.eb b/Golden_Repo/f/FFTW/FFTW-3.3.10-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d7216713592fd0ce1c9bad6ce5f6ac605fcfed8b
--- /dev/null
+++ b/Golden_Repo/f/FFTW/FFTW-3.3.10-gompi-2022a.eb
@@ -0,0 +1,38 @@
+name = 'FFTW'
+
+version = '3.3.10'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for computing the discrete
+Fourier transform (DFT) in one or more dimensions, of arbitrary input size,
+and of both real and complex data."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = ['fftw-3.3.10.tar.gz']
+
+checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
+
+# no quad precision, requires GCC v4.6 or higher
+# see also
+# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+
+with_quad_prec = False
+
+# compilation fails on AMD systems when configuring with --enable-avx-128-fma,
+# because Intel compilers do not support FMA4 instructions
+
+use_fma4 = False
+
+# can't find mpirun/mpiexec and fails
+# runtest = 'check'
+
+modextravars = {
+ 'FFTW_ROOT': '%(installdir)s',
+ 'FFTW_INCLUDE': '%(installdir)s/include',
+ 'FFTW_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/f/FFTW/FFTW-3.3.10-gpsmpi-2022a.eb b/Golden_Repo/f/FFTW/FFTW-3.3.10-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2b9e218ce8528dc8914187d3d3e324a6576feb8b
--- /dev/null
+++ b/Golden_Repo/f/FFTW/FFTW-3.3.10-gpsmpi-2022a.eb
@@ -0,0 +1,38 @@
+name = 'FFTW'
+
+version = '3.3.10'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for computing the discrete
+Fourier transform (DFT) in one or more dimensions, of arbitrary input size,
+and of both real and complex data."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = ['fftw-3.3.10.tar.gz']
+
+checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
+
+# no quad precision, requires GCC v4.6 or higher
+# see also
+# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+
+with_quad_prec = False
+
+# compilation fails on AMD systems when configuring with --enable-avx-128-fma,
+# because Intel compilers do not support FMA4 instructions
+
+use_fma4 = False
+
+# can't find mpirun/mpiexec and fails
+# runtest = 'check'
+
+modextravars = {
+ 'FFTW_ROOT': '%(installdir)s',
+ 'FFTW_INCLUDE': '%(installdir)s/include',
+ 'FFTW_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/f/FFTW/FFTW-3.3.10-npsmpic-2022a.eb b/Golden_Repo/f/FFTW/FFTW-3.3.10-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..eadc9df33171e8b526cc5ad5d6bfcf6e93a2e47f
--- /dev/null
+++ b/Golden_Repo/f/FFTW/FFTW-3.3.10-npsmpic-2022a.eb
@@ -0,0 +1,38 @@
+name = 'FFTW'
+
+version = '3.3.10'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for computing the discrete
+Fourier transform (DFT) in one or more dimensions, of arbitrary input size,
+and of both real and complex data."""
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = ['fftw-3.3.10.tar.gz']
+
+checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
+
+# no quad precision, requires GCC v4.6 or higher
+# see also
+# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+
+with_quad_prec = False
+
+# compilation fails on AMD systems when configuring with --enable-avx-128-fma,
+# because Intel compilers do not support FMA4 instructions
+
+use_fma4 = False
+
+# can't find mpirun/mpiexec and fails
+# runtest = 'check'
+
+modextravars = {
+ 'FFTW_ROOT': '%(installdir)s',
+ 'FFTW_INCLUDE': '%(installdir)s/include',
+ 'FFTW_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/f/FFTW/FFTW-3.3.10-nvompic-2022a.eb b/Golden_Repo/f/FFTW/FFTW-3.3.10-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..c2f648e1b05b1615f4f5449071bceebb42cae6db
--- /dev/null
+++ b/Golden_Repo/f/FFTW/FFTW-3.3.10-nvompic-2022a.eb
@@ -0,0 +1,38 @@
+name = 'FFTW'
+
+version = '3.3.10'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for computing the discrete
+Fourier transform (DFT) in one or more dimensions, of arbitrary input size,
+and of both real and complex data."""
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = ['fftw-3.3.10.tar.gz']
+
+checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
+
+# no quad precision, requires GCC v4.6 or higher
+# see also
+# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+
+with_quad_prec = False
+
+# compilation fails on AMD systems when configuring with --enable-avx-128-fma,
+# because Intel compilers do not support FMA4 instructions
+
+use_fma4 = False
+
+# can't find mpirun/mpiexec and fails
+# runtest = 'check'
+
+modextravars = {
+ 'FFTW_ROOT': '%(installdir)s',
+ 'FFTW_INCLUDE': '%(installdir)s/include',
+ 'FFTW_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/f/FLANN/FLANN-1.9.2-GCCcore-11.3.0.eb b/Golden_Repo/f/FLANN/FLANN-1.9.2-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1a94c389f29b89b87c2a4a130458464225462e0d
--- /dev/null
+++ b/Golden_Repo/f/FLANN/FLANN-1.9.2-GCCcore-11.3.0.eb
@@ -0,0 +1,43 @@
+# Contribution from the NIHR Biomedical Research Centre
+# Guy's and St Thomas' NHS Foundation Trust and King's College London
+# uploaded by J. Sassmannshausen
+# updated by J. H. Goebbert
+easyblock = 'CMakeMake'
+
+name = 'FLANN'
+version = '1.9.2'
+
+homepage = 'https://github.com/mariusmuja/flann/'
+description = "FLANN is a library for performing fast approximate nearest neighbor searches in high dimensional spaces."
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'openmp': True}
+
+source_urls = ['https://github.com/mariusmuja/flann/archive/']
+sources = ['%(version)s.tar.gz']
+checksums = [
+ {'1.9.2.tar.gz': 'e26829bb0017f317d9cc45ab83ddcb8b16d75ada1ae07157006c1e7d601c8824'},
+]
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1')
+]
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('lz4', '1.9.3'),
+]
+
+configopts = "-DUSE_OPENMP=ON -DUSE_MPI=ON -DBUILD_PYTHON_BINDINGS=ON -DBUILD_C_BINDINGS=ON"
+
+modextrapaths = {'PYTHONPATH': ['share/flann/python']}
+
+sanity_check_paths = {
+ 'files': ['lib/libflann_cpp_s.a', 'lib/libflann_s.a',
+ 'lib/libflann_cpp.%s' % SHLIB_EXT, 'lib/libflann.%s' % SHLIB_EXT],
+ 'dirs': ['include/flann', 'lib/pkgconfig', 'share/flann/python'],
+}
+sanity_check_commands = ["python -c 'import pyflann'"]
+
+moduleclass = 'lib'
diff --git a/Golden_Repo/f/FreeSurfer/FreeSurfer-7.3.2-GCCcore-11.3.0.eb b/Golden_Repo/f/FreeSurfer/FreeSurfer-7.3.2-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..3bb710dfda15007b6b5c926b01f0520bd5921714
--- /dev/null
+++ b/Golden_Repo/f/FreeSurfer/FreeSurfer-7.3.2-GCCcore-11.3.0.eb
@@ -0,0 +1,38 @@
+# For using $FASTDATA_jsc to determine license path. The local prefix is to appease the checker
+import os as local_os
+
+name = 'FreeSurfer'
+version = '7.3.2'
+
+homepage = 'http://surfer.nmr.mgh.harvard.edu/fswiki/FreeSurferWiki'
+description = """
+FreeSurfer is a set of tools for analysis and visualization of structural and functional brain imaging data.
+FreeSurfer contains a fully automatic structural imaging stream for processing cross sectional and longitudinal data.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = [
+ 'https://surfer.nmr.mgh.harvard.edu/pub/dist/freesurfer/%(version)s/'
+]
+sources = ['%(namelower)s-linux-centos8_x86_64-%(version)s.tar.gz']
+patches = ['freesurfer732-tcsh.patch']
+checksums = [
+ '1448e64000b02a06aaad81548a4c8f92faf575f8320e67bdcd15a430ad10879b', # freesurfer-linux-centos8_x86_64-7.3.2.tar.gz
+ 'f560f19575a176e4be12edf3eea32b699810b4bd5ca7ea91008e8517eb3f790e', # freesurfer732-tcsh.patch
+]
+
+dependencies = [
+ ('X11', '20220504'),
+ ('nvidia-driver', 'default', '', SYSTEM),
+ ('VirtualGL', '3.1beta1'),
+ ('protobuf', '3.19.4'),
+ ('tcsh', '6.24.01')
+]
+
+# If FASTDATA_jsc is not defined then assume we are on CI and hence the path is relative to the repo
+local_licdir = local_os.environ.get('FASTDATA_jsc')
+local_licdir = local_os.path.join(local_licdir, 'swmanage', 'EasyBuild', '2023') if local_licdir else '.'
+license_text = open(f'{local_licdir}/Golden_Repo/f/FreeSurfer/license_text.txt', 'r').read()
+
+moduleclass = 'bio'
diff --git a/Golden_Repo/f/FreeSurfer/freesurfer732-tcsh.patch b/Golden_Repo/f/FreeSurfer/freesurfer732-tcsh.patch
new file mode 100644
index 0000000000000000000000000000000000000000..0ffc5f97435efad5e77c3ab5705135bbabab38b6
--- /dev/null
+++ b/Golden_Repo/f/FreeSurfer/freesurfer732-tcsh.patch
@@ -0,0 +1,2196 @@
+diff --color -rupN freesurfer-orig/bin/annot2std freesurfer-patched/bin/annot2std
+--- freesurfer-orig/bin/annot2std 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/annot2std 2022-11-18 09:37:06.263695864 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # annot2std
+ #
+diff --color -rupN freesurfer-orig/bin/aparc2feat freesurfer-patched/bin/aparc2feat
+--- freesurfer-orig/bin/aparc2feat 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/aparc2feat 2022-11-18 09:37:04.035683570 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # aparc2feat
+diff --color -rupN freesurfer-orig/bin/aparc_stats_aseg freesurfer-patched/bin/aparc_stats_aseg
+--- freesurfer-orig/bin/aparc_stats_aseg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/aparc_stats_aseg 2022-11-18 09:37:06.239695731 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+ # This script runs Cortical Parcellation, Surface Anatomical Stats and Aparc2aseg using a given .gcs file.
+ set RunIt = 1
+ set ProgName = `basename $0`;
+diff --color -rupN freesurfer-orig/bin/aparcstatsdiff freesurfer-patched/bin/aparcstatsdiff
+--- freesurfer-orig/bin/aparcstatsdiff 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/aparcstatsdiff 2022-11-18 09:37:03.915682909 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ if ( "x$1" == "x" || \
+ "x$2" == "x" || \
+diff --color -rupN freesurfer-orig/bin/apas2aseg freesurfer-patched/bin/apas2aseg
+--- freesurfer-orig/bin/apas2aseg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/apas2aseg 2022-11-18 09:37:05.943694098 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # apas2aseg
+
+ set VERSION = 'apas2aseg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/aseg2feat freesurfer-patched/bin/aseg2feat
+--- freesurfer-orig/bin/aseg2feat 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/aseg2feat 2022-11-18 09:37:05.359690875 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # aseg2feat
+diff --color -rupN freesurfer-orig/bin/asegstatsdiff freesurfer-patched/bin/asegstatsdiff
+--- freesurfer-orig/bin/asegstatsdiff 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/asegstatsdiff 2022-11-18 09:37:06.331696239 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set subject1=$1
+ set subject2=$2
+diff --color -rupN freesurfer-orig/bin/bblabel freesurfer-patched/bin/bblabel
+--- freesurfer-orig/bin/bblabel 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/bblabel 2022-11-18 09:37:05.807693347 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # bblabel
+diff --color -rupN freesurfer-orig/bin/bbmask freesurfer-patched/bin/bbmask
+--- freesurfer-orig/bin/bbmask 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/bbmask 2022-11-18 09:37:05.319690654 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # bbmask
+
+ set VERSION = 'bbmask 7.3.2';
+diff --color -rupN freesurfer-orig/bin/bbregister freesurfer-patched/bin/bbregister
+--- freesurfer-orig/bin/bbregister 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/bbregister 2022-11-18 09:37:04.635686880 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # bbregister
+diff --color -rupN freesurfer-orig/bin/beta2sxa freesurfer-patched/bin/beta2sxa
+--- freesurfer-orig/bin/beta2sxa 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/beta2sxa 2022-11-18 09:37:05.267690367 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # thalseg
+
+ set VERSION = 'beta2sxa 7.3.2';
+diff --color -rupN freesurfer-orig/bin/biasfield freesurfer-patched/bin/biasfield
+--- freesurfer-orig/bin/biasfield 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/biasfield 2022-11-18 09:37:04.907688381 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # biasfield
+diff --color -rupN freesurfer-orig/bin/bmedits2surf freesurfer-patched/bin/bmedits2surf
+--- freesurfer-orig/bin/bmedits2surf 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/bmedits2surf 2022-11-18 09:37:05.491691603 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # bmedits2surf
+
+ set VERSION = 'bmedits2surf 7.3.2';
+diff --color -rupN freesurfer-orig/bin/bugr freesurfer-patched/bin/bugr
+--- freesurfer-orig/bin/bugr 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/bugr 2022-11-18 09:37:03.727681871 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # bugr
+diff --color -rupN freesurfer-orig/bin/cblumwmgyri freesurfer-patched/bin/cblumwmgyri
+--- freesurfer-orig/bin/cblumwmgyri 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/cblumwmgyri 2022-11-18 09:37:06.307696107 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # cblumwmgyri
+
+ set VERSION = 'cblumwmgyri 7.3.2';
+diff --color -rupN freesurfer-orig/bin/checkMCR.sh freesurfer-patched/bin/checkMCR.sh
+--- freesurfer-orig/bin/checkMCR.sh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/checkMCR.sh 2022-11-18 09:37:05.491691603 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # Eugenio: note that when I used v80, I used to look for libdctprocess.so,
+ # but not I look for libmwlaunchermain.so instead (which is not present in v80)
+diff --color -rupN freesurfer-orig/bin/clear_fs_env.csh freesurfer-patched/bin/clear_fs_env.csh
+--- freesurfer-orig/bin/clear_fs_env.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/clear_fs_env.csh 2022-11-18 09:37:06.231695687 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # clear_fs_env.csh
+diff --color -rupN freesurfer-orig/bin/compute_interrater_variability.csh freesurfer-patched/bin/compute_interrater_variability.csh
+--- freesurfer-orig/bin/compute_interrater_variability.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/compute_interrater_variability.csh 2022-11-18 09:37:04.647686947 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # compute_interrater_variability
+ #
+diff --color -rupN freesurfer-orig/bin/compute_label_volumes.csh freesurfer-patched/bin/compute_label_volumes.csh
+--- freesurfer-orig/bin/compute_label_volumes.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/compute_label_volumes.csh 2022-11-18 09:37:06.467696990 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # compute_all_label_volumes
+ #
+diff --color -rupN freesurfer-orig/bin/conf2hires freesurfer-patched/bin/conf2hires
+--- freesurfer-orig/bin/conf2hires 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/conf2hires 2022-11-18 09:37:04.847688050 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # conf2hires - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/cp-dicom freesurfer-patched/bin/cp-dicom
+--- freesurfer-orig/bin/cp-dicom 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/cp-dicom 2022-11-18 09:37:04.711687299 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # cp-dicom
+diff --color -rupN freesurfer-orig/bin/dcmdir-info-mgh freesurfer-patched/bin/dcmdir-info-mgh
+--- freesurfer-orig/bin/dcmdir-info-mgh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/dcmdir-info-mgh 2022-11-18 09:37:03.979683261 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # dcmdir-info-mgh
+diff --color -rupN freesurfer-orig/bin/dcmsplit freesurfer-patched/bin/dcmsplit
+--- freesurfer-orig/bin/dcmsplit 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/dcmsplit 2022-11-18 09:37:04.919688447 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # dcmsplit
+
+ if(-e $FREESURFER_HOME/sources.csh) then
+diff --color -rupN freesurfer-orig/bin/dcmunpack freesurfer-patched/bin/dcmunpack
+--- freesurfer-orig/bin/dcmunpack 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/dcmunpack 2022-11-18 09:37:04.971688734 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # dcmunpack
+ #
+
+diff --color -rupN freesurfer-orig/bin/deface_subject freesurfer-patched/bin/deface_subject
+--- freesurfer-orig/bin/deface_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/deface_subject 2022-11-18 09:37:04.887688271 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # deface_subject
+diff --color -rupN freesurfer-orig/bin/defect2seg freesurfer-patched/bin/defect2seg
+--- freesurfer-orig/bin/defect2seg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/defect2seg 2022-11-18 09:37:04.519686241 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # defect2seg - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/dmri_bset freesurfer-patched/bin/dmri_bset
+--- freesurfer-orig/bin/dmri_bset 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/dmri_bset 2022-11-18 09:37:05.351690831 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # dmri_bset
+diff --color -rupN freesurfer-orig/bin/dt_recon freesurfer-patched/bin/dt_recon
+--- freesurfer-orig/bin/dt_recon 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/dt_recon 2022-11-18 09:37:05.567692023 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ umask 002;
+
+diff --color -rupN freesurfer-orig/bin/epidewarp.fsl freesurfer-patched/bin/epidewarp.fsl
+--- freesurfer-orig/bin/epidewarp.fsl 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/epidewarp.fsl 2022-11-18 09:37:04.863688138 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # epidewarp.fsl
+diff --color -rupN freesurfer-orig/bin/exvivo-hemi-proc freesurfer-patched/bin/exvivo-hemi-proc
+--- freesurfer-orig/bin/exvivo-hemi-proc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/exvivo-hemi-proc 2022-11-18 09:37:04.943688580 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # thalseg - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/feat2segstats freesurfer-patched/bin/feat2segstats
+--- freesurfer-orig/bin/feat2segstats 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/feat2segstats 2022-11-18 09:37:06.315696151 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # feat2segstats
+diff --color -rupN freesurfer-orig/bin/feat2surf freesurfer-patched/bin/feat2surf
+--- freesurfer-orig/bin/feat2surf 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/feat2surf 2022-11-18 09:37:04.559686461 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # reg-feat2anat
+diff --color -rupN freesurfer-orig/bin/fix_subject freesurfer-patched/bin/fix_subject
+--- freesurfer-orig/bin/fix_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fix_subject 2022-11-18 09:37:05.615692288 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # fix_subject
+diff --color -rupN freesurfer-orig/bin/fix_subject_corrected freesurfer-patched/bin/fix_subject_corrected
+--- freesurfer-orig/bin/fix_subject_corrected 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fix_subject_corrected 2022-11-18 09:37:06.555697475 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # fix_subject_corrected
+diff --color -rupN freesurfer-orig/bin/fix_subject_corrected-lh freesurfer-patched/bin/fix_subject_corrected-lh
+--- freesurfer-orig/bin/fix_subject_corrected-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fix_subject_corrected-lh 2022-11-18 09:37:04.195684453 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # fix_subject_corrected-lh
+diff --color -rupN freesurfer-orig/bin/fix_subject_corrected-rh freesurfer-patched/bin/fix_subject_corrected-rh
+--- freesurfer-orig/bin/fix_subject_corrected-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fix_subject_corrected-rh 2022-11-18 09:37:03.663681518 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # fix_subject_corrected-rh
+diff --color -rupN freesurfer-orig/bin/fix_subject-lh freesurfer-patched/bin/fix_subject-lh
+--- freesurfer-orig/bin/fix_subject-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fix_subject-lh 2022-11-18 09:37:05.403691118 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # fix_subject-lh
+diff --color -rupN freesurfer-orig/bin/fix_subject-rh freesurfer-patched/bin/fix_subject-rh
+--- freesurfer-orig/bin/fix_subject-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fix_subject-rh 2022-11-18 09:37:05.171689838 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # fix_subject-rh
+diff --color -rupN freesurfer-orig/bin/fscalc freesurfer-patched/bin/fscalc
+--- freesurfer-orig/bin/fscalc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fscalc 2022-11-18 09:37:04.595686660 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fscalc
+
+ set VERSION = 'fscalc 7.3.2';
+diff --color -rupN freesurfer-orig/bin/fscalc.fsl freesurfer-patched/bin/fscalc.fsl
+--- freesurfer-orig/bin/fscalc.fsl 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fscalc.fsl 2022-11-18 09:37:05.483691559 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ # This is a utility that extends fslmaths so that an format that can
+ # be read/written by freesurfer can be used. It operates in the same
+diff --color -rupN freesurfer-orig/bin/fs-check-version freesurfer-patched/bin/fs-check-version
+--- freesurfer-orig/bin/fs-check-version 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fs-check-version 2022-11-18 09:37:04.623686814 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fs-check-version - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/fsdcmdecompress freesurfer-patched/bin/fsdcmdecompress
+--- freesurfer-orig/bin/fsdcmdecompress 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsdcmdecompress 2022-11-18 09:37:05.791693259 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fsdcmdecompress - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/fsfirst.fsl freesurfer-patched/bin/fsfirst.fsl
+--- freesurfer-orig/bin/fsfirst.fsl 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsfirst.fsl 2022-11-18 09:37:05.759693083 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fsfirst.fsl
+
+ if(-e $FREESURFER_HOME/sources.csh) then
+diff --color -rupN freesurfer-orig/bin/fslregister freesurfer-patched/bin/fslregister
+--- freesurfer-orig/bin/fslregister 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fslregister 2022-11-18 09:37:05.095689418 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # fslregister
+diff --color -rupN freesurfer-orig/bin/fsl_rigid_register freesurfer-patched/bin/fsl_rigid_register
+--- freesurfer-orig/bin/fsl_rigid_register 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsl_rigid_register 2022-11-18 09:37:05.983694319 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # fsl_rigid_register
+diff --color -rupN freesurfer-orig/bin/fsr-checkxopts freesurfer-patched/bin/fsr-checkxopts
+--- freesurfer-orig/bin/fsr-checkxopts 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsr-checkxopts 2022-11-18 09:37:04.587686615 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # fsr-checkxopts
+diff --color -rupN freesurfer-orig/bin/fsr-coreg freesurfer-patched/bin/fsr-coreg
+--- freesurfer-orig/bin/fsr-coreg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsr-coreg 2022-11-18 09:37:04.067683747 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fsr-coreg
+
+ # In theory, it would be better to resample all modes into an
+diff --color -rupN freesurfer-orig/bin/fsr-getxopts freesurfer-patched/bin/fsr-getxopts
+--- freesurfer-orig/bin/fsr-getxopts 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsr-getxopts 2022-11-18 09:37:04.095683902 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # fsr-getxopts
+diff --color -rupN freesurfer-orig/bin/fsr-import freesurfer-patched/bin/fsr-import
+--- freesurfer-orig/bin/fsr-import 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsr-import 2022-11-18 09:37:04.867688161 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fsr-import
+
+ if(-e $FREESURFER_HOME/sources.csh) then
+diff --color -rupN freesurfer-orig/bin/fs_time freesurfer-patched/bin/fs_time
+--- freesurfer-orig/bin/fs_time 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fs_time 2022-11-18 09:37:04.439685799 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fs_time
+
+ # Check whether FS_TIME_ALLOW exists, if not assume it is ok
+diff --color -rupN freesurfer-orig/bin/fsxvfb freesurfer-patched/bin/fsxvfb
+--- freesurfer-orig/bin/fsxvfb 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fsxvfb 2022-11-18 09:37:04.899688337 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # fsxvfb - a simple application of the virtual frame buffer (vrb) for
+ # X This can run graphical commands in a "headless" way, ie, without
+diff --color -rupN freesurfer-orig/bin/fvcompare freesurfer-patched/bin/fvcompare
+--- freesurfer-orig/bin/fvcompare 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/fvcompare 2022-11-18 09:37:04.667687057 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fvcompare
+
+ set VERSION = 'fvcompare 7.3.2';
+diff --color -rupN freesurfer-orig/bin/gca-apply freesurfer-patched/bin/gca-apply
+--- freesurfer-orig/bin/gca-apply 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/gca-apply 2022-11-18 09:37:04.787687719 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # gca-apply
+
+ set VERSION = 'gca-apply 7.3.2';
+diff --color -rupN freesurfer-orig/bin/gcainit freesurfer-patched/bin/gcainit
+--- freesurfer-orig/bin/gcainit 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/gcainit 2022-11-18 09:37:05.331690721 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # gcainit
+
+ set VERSION = 'gcainit 7.3.2';
+diff --color -rupN freesurfer-orig/bin/gcaprepone freesurfer-patched/bin/gcaprepone
+--- freesurfer-orig/bin/gcaprepone 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/gcaprepone 2022-11-18 09:37:04.815687874 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # gcaprepone
+
+ set VERSION = 'gcaprepone 7.3.2';
+diff --color -rupN freesurfer-orig/bin/gcatrain freesurfer-patched/bin/gcatrain
+--- freesurfer-orig/bin/gcatrain 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/gcatrain 2022-11-18 09:37:04.579686571 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # gcatrain
+
+ set VERSION = 'gcatrain 7.3.2';
+diff --color -rupN freesurfer-orig/bin/gcatrainskull freesurfer-patched/bin/gcatrainskull
+--- freesurfer-orig/bin/gcatrainskull 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/gcatrainskull 2022-11-18 09:37:05.931694032 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # gcatrainskull
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/getfullpath freesurfer-patched/bin/getfullpath
+--- freesurfer-orig/bin/getfullpath 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/getfullpath 2022-11-18 09:37:04.927688491 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # getfullpath
+diff --color -rupN freesurfer-orig/bin/get_label_thickness freesurfer-patched/bin/get_label_thickness
+--- freesurfer-orig/bin/get_label_thickness 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/get_label_thickness 2022-11-18 09:37:04.907688381 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ # script to get the thickness values for the vertices found in a label file.
+ # inputs: label file and ascii thickness file
+diff --color -rupN freesurfer-orig/bin/grad_unwarp freesurfer-patched/bin/grad_unwarp
+--- freesurfer-orig/bin/grad_unwarp 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/grad_unwarp 2022-11-18 09:37:05.095689418 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # grad_unwarp - convert, unwarp, and resample dicom files
+diff --color -rupN freesurfer-orig/bin/groupstats freesurfer-patched/bin/groupstats
+--- freesurfer-orig/bin/groupstats 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/groupstats 2022-11-18 09:37:04.015683460 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # groupstats
+
+ set VERSION = 'groupstats 7.3.2';
+diff --color -rupN freesurfer-orig/bin/groupstatsdiff freesurfer-patched/bin/groupstatsdiff
+--- freesurfer-orig/bin/groupstatsdiff 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/groupstatsdiff 2022-11-18 09:37:03.843682511 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # groupstatsdiff
+
+ set VERSION = 'groupstatsdiff 7.3.2';
+diff --color -rupN freesurfer-orig/bin/gtmseg freesurfer-patched/bin/gtmseg
+--- freesurfer-orig/bin/gtmseg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/gtmseg 2022-11-18 09:37:04.527686284 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # gtmseg
+
+ set VERSION = 'gtmseg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/help_xml_validate freesurfer-patched/bin/help_xml_validate
+--- freesurfer-orig/bin/help_xml_validate 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/help_xml_validate 2022-11-18 09:37:04.855688094 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ # $srcdir is defined in make check runtime environment
+ set SRCDIR=$PWD
+diff --color -rupN freesurfer-orig/bin/inflate_subject freesurfer-patched/bin/inflate_subject
+--- freesurfer-orig/bin/inflate_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/inflate_subject 2022-11-18 09:37:05.519691758 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # inflate_subject
+diff --color -rupN freesurfer-orig/bin/inflate_subject3 freesurfer-patched/bin/inflate_subject3
+--- freesurfer-orig/bin/inflate_subject3 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/inflate_subject3 2022-11-18 09:37:04.319685137 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # inflate_subject3
+diff --color -rupN freesurfer-orig/bin/inflate_subject-lh freesurfer-patched/bin/inflate_subject-lh
+--- freesurfer-orig/bin/inflate_subject-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/inflate_subject-lh 2022-11-18 09:37:03.755682026 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # inflate_subject-lh
+diff --color -rupN freesurfer-orig/bin/inflate_subject_new-rh freesurfer-patched/bin/inflate_subject_new-rh
+--- freesurfer-orig/bin/inflate_subject_new-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/inflate_subject_new-rh 2022-11-18 09:37:04.711687299 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # inflate_subject_new-rh
+diff --color -rupN freesurfer-orig/bin/inflate_subject-rh freesurfer-patched/bin/inflate_subject-rh
+--- freesurfer-orig/bin/inflate_subject-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/inflate_subject-rh 2022-11-18 09:37:05.319690654 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # inflate_subject-rh
+diff --color -rupN freesurfer-orig/bin/inflate_subject_sc freesurfer-patched/bin/inflate_subject_sc
+--- freesurfer-orig/bin/inflate_subject_sc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/inflate_subject_sc 2022-11-18 09:37:06.019694517 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # inflate_subject_sc
+diff --color -rupN freesurfer-orig/bin/isanalyze freesurfer-patched/bin/isanalyze
+--- freesurfer-orig/bin/isanalyze 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/isanalyze 2022-11-18 09:37:04.095683902 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # isanalyze - checks whether the passed file is an analyze file
+diff --color -rupN freesurfer-orig/bin/IsLTA freesurfer-patched/bin/IsLTA
+--- freesurfer-orig/bin/IsLTA 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/IsLTA 2022-11-18 09:37:04.447685843 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # IsLTA
+
+ set VERSION = 'IsLTA 7.3.2';
+diff --color -rupN freesurfer-orig/bin/isnifti freesurfer-patched/bin/isnifti
+--- freesurfer-orig/bin/isnifti 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/isnifti 2022-11-18 09:37:03.831682445 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # isnifti - checks whether the passed file is a nifti file
+diff --color -rupN freesurfer-orig/bin/isolate_labels.csh freesurfer-patched/bin/isolate_labels.csh
+--- freesurfer-orig/bin/isolate_labels.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/isolate_labels.csh 2022-11-18 09:37:04.043683615 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # isolate_labels
+ #
+diff --color -rupN freesurfer-orig/bin/isolate_labels_keeporigval.csh freesurfer-patched/bin/isolate_labels_keeporigval.csh
+--- freesurfer-orig/bin/isolate_labels_keeporigval.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/isolate_labels_keeporigval.csh 2022-11-18 09:37:04.935688535 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # isolate_labels
+ #
+diff --color -rupN freesurfer-orig/bin/jkgcatrain freesurfer-patched/bin/jkgcatrain
+--- freesurfer-orig/bin/jkgcatrain 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/jkgcatrain 2022-11-18 09:37:03.975683239 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # jkgcatrain
+
+ set VERSION = 'jkgcatrain 7.3.2';
+diff --color -rupN freesurfer-orig/bin/label_child freesurfer-patched/bin/label_child
+--- freesurfer-orig/bin/label_child 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/label_child 2022-11-18 09:37:04.719687344 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # label_child
+diff --color -rupN freesurfer-orig/bin/label_elderly_subject freesurfer-patched/bin/label_elderly_subject
+--- freesurfer-orig/bin/label_elderly_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/label_elderly_subject 2022-11-18 09:37:03.703681739 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # label_elderly_subject
+diff --color -rupN freesurfer-orig/bin/labels_disjoint freesurfer-patched/bin/labels_disjoint
+--- freesurfer-orig/bin/labels_disjoint 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/labels_disjoint 2022-11-18 09:37:04.391685534 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # set echo=1
+
+diff --color -rupN freesurfer-orig/bin/labels_intersect freesurfer-patched/bin/labels_intersect
+--- freesurfer-orig/bin/labels_intersect 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/labels_intersect 2022-11-18 09:37:05.995694384 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # set echo=1
+
+diff --color -rupN freesurfer-orig/bin/label_subject freesurfer-patched/bin/label_subject
+--- freesurfer-orig/bin/label_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/label_subject 2022-11-18 09:37:04.587686615 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # label_subject
+diff --color -rupN freesurfer-orig/bin/label_subject_flash freesurfer-patched/bin/label_subject_flash
+--- freesurfer-orig/bin/label_subject_flash 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/label_subject_flash 2022-11-18 09:37:05.707692796 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # label_subject_flash
+diff --color -rupN freesurfer-orig/bin/label_subject_mixed freesurfer-patched/bin/label_subject_mixed
+--- freesurfer-orig/bin/label_subject_mixed 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/label_subject_mixed 2022-11-18 09:37:03.975683239 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # label_subject_mixed
+diff --color -rupN freesurfer-orig/bin/labels_union freesurfer-patched/bin/labels_union
+--- freesurfer-orig/bin/labels_union 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/labels_union 2022-11-18 09:37:04.739687454 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # set echo=1
+
+diff --color -rupN freesurfer-orig/bin/long_create_base_sigma freesurfer-patched/bin/long_create_base_sigma
+--- freesurfer-orig/bin/long_create_base_sigma 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/long_create_base_sigma 2022-11-18 09:37:06.087694892 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ # long_create_base_sigma
+ #
+diff --color -rupN freesurfer-orig/bin/long_create_orig freesurfer-patched/bin/long_create_orig
+--- freesurfer-orig/bin/long_create_orig 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/long_create_orig 2022-11-18 09:37:06.007694451 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ # long_create_orig
+ #
+diff --color -rupN freesurfer-orig/bin/longmc freesurfer-patched/bin/longmc
+--- freesurfer-orig/bin/longmc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/longmc 2022-11-18 09:37:05.247690257 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # longmc - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/lpcregister freesurfer-patched/bin/lpcregister
+--- freesurfer-orig/bin/lpcregister 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/lpcregister 2022-11-18 09:37:04.587686615 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # lpcregister
+diff --color -rupN freesurfer-orig/bin/make_average_subcort freesurfer-patched/bin/make_average_subcort
+--- freesurfer-orig/bin/make_average_subcort 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/make_average_subcort 2022-11-18 09:37:05.763693105 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # thalseg
+
+ set VERSION = 'make_average_subcort 7.3.2';
+diff --color -rupN freesurfer-orig/bin/make_average_subject freesurfer-patched/bin/make_average_subject
+--- freesurfer-orig/bin/make_average_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/make_average_subject 2022-11-18 09:37:05.691692707 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # make_average_subject
+diff --color -rupN freesurfer-orig/bin/make_average_surface freesurfer-patched/bin/make_average_surface
+--- freesurfer-orig/bin/make_average_surface 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/make_average_surface 2022-11-18 09:37:06.535697365 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # make_average_surface
+diff --color -rupN freesurfer-orig/bin/make_average_volume freesurfer-patched/bin/make_average_volume
+--- freesurfer-orig/bin/make_average_volume 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/make_average_volume 2022-11-18 09:37:04.515686218 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # make_average_volume
+diff --color -rupN freesurfer-orig/bin/make_cortex_label freesurfer-patched/bin/make_cortex_label
+--- freesurfer-orig/bin/make_cortex_label 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/make_cortex_label 2022-11-18 09:37:03.923682952 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # make_cortex_label
+diff --color -rupN freesurfer-orig/bin/make_folding_atlas freesurfer-patched/bin/make_folding_atlas
+--- freesurfer-orig/bin/make_folding_atlas 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/make_folding_atlas 2022-11-18 09:37:04.975688757 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # make_folding_atlas
+
+ set VERSION = 'make_folding_atlas 7.3.2';
+diff --color -rupN freesurfer-orig/bin/make-segvol-table freesurfer-patched/bin/make-segvol-table
+--- freesurfer-orig/bin/make-segvol-table 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/make-segvol-table 2022-11-18 09:37:04.595686660 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # make-segvol-table - creates a table of volumes of subcortical
+diff --color -rupN freesurfer-orig/bin/map_all_labels freesurfer-patched/bin/map_all_labels
+--- freesurfer-orig/bin/map_all_labels 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/map_all_labels 2022-11-18 09:37:05.115689529 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # map_all_labels
+diff --color -rupN freesurfer-orig/bin/map_all_labels-lh freesurfer-patched/bin/map_all_labels-lh
+--- freesurfer-orig/bin/map_all_labels-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/map_all_labels-lh 2022-11-18 09:37:04.735687433 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # map_all_labels-lh
+diff --color -rupN freesurfer-orig/bin/map_central_sulcus freesurfer-patched/bin/map_central_sulcus
+--- freesurfer-orig/bin/map_central_sulcus 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/map_central_sulcus 2022-11-18 09:37:06.251695798 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # map_central_sulcus
+diff --color -rupN freesurfer-orig/bin/meanval freesurfer-patched/bin/meanval
+--- freesurfer-orig/bin/meanval 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/meanval 2022-11-18 09:37:05.307690588 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # meanval
+
+ set VERSION = 'meanval 7.3.2';
+diff --color -rupN freesurfer-orig/bin/mergeseg freesurfer-patched/bin/mergeseg
+--- freesurfer-orig/bin/mergeseg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mergeseg 2022-11-18 09:37:03.827682423 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # mergeseg
+
+ set VERSION = 'mergeseg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/mideface freesurfer-patched/bin/mideface
+--- freesurfer-orig/bin/mideface 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mideface 2022-11-18 09:37:05.799693303 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # midefacer - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/minc2seqinfo freesurfer-patched/bin/minc2seqinfo
+--- freesurfer-orig/bin/minc2seqinfo 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/minc2seqinfo 2022-11-18 09:37:05.247690257 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ # Name: minc2seqinfo
+ #
+diff --color -rupN freesurfer-orig/bin/mkheadsurf freesurfer-patched/bin/mkheadsurf
+--- freesurfer-orig/bin/mkheadsurf 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mkheadsurf 2022-11-18 09:37:04.015683460 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mkheadsurf
+diff --color -rupN freesurfer-orig/bin/mksubjdirs freesurfer-patched/bin/mksubjdirs
+--- freesurfer-orig/bin/mksubjdirs 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mksubjdirs 2022-11-18 09:37:04.715687321 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mksubjdirs
+diff --color -rupN freesurfer-orig/bin/mmppsp freesurfer-patched/bin/mmppsp
+--- freesurfer-orig/bin/mmppsp 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mmppsp 2022-11-18 09:37:06.055694716 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # mmppsp - multimodal post-prob surface placement using samseg post probs
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/mni152reg freesurfer-patched/bin/mni152reg
+--- freesurfer-orig/bin/mni152reg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mni152reg 2022-11-18 09:37:04.603686704 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # mni152reg
+
+ set VERSION = 'mni152reg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/morph_only_subject freesurfer-patched/bin/morph_only_subject
+--- freesurfer-orig/bin/morph_only_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_only_subject 2022-11-18 09:37:04.423685711 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # morph_only_subject
+diff --color -rupN freesurfer-orig/bin/morph_only_subject-lh freesurfer-patched/bin/morph_only_subject-lh
+--- freesurfer-orig/bin/morph_only_subject-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_only_subject-lh 2022-11-18 09:37:05.167689816 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # morph_only_subject-lh
+diff --color -rupN freesurfer-orig/bin/morph_only_subject-rh freesurfer-patched/bin/morph_only_subject-rh
+--- freesurfer-orig/bin/morph_only_subject-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_only_subject-rh 2022-11-18 09:37:04.247684740 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # morph_only_subject-rh
+diff --color -rupN freesurfer-orig/bin/morph_rgb-lh freesurfer-patched/bin/morph_rgb-lh
+--- freesurfer-orig/bin/morph_rgb-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_rgb-lh 2022-11-18 09:37:03.847682533 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # morph_rgb-lh
+diff --color -rupN freesurfer-orig/bin/morph_rgb-rh freesurfer-patched/bin/morph_rgb-rh
+--- freesurfer-orig/bin/morph_rgb-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_rgb-rh 2022-11-18 09:37:05.447691361 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # morph_rgb-rh
+diff --color -rupN freesurfer-orig/bin/morph_subject freesurfer-patched/bin/morph_subject
+--- freesurfer-orig/bin/morph_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_subject 2022-11-18 09:37:05.095689418 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # morph_subject
+diff --color -rupN freesurfer-orig/bin/morph_subject-lh freesurfer-patched/bin/morph_subject-lh
+--- freesurfer-orig/bin/morph_subject-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_subject-lh 2022-11-18 09:37:04.975688757 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # morph_subject-lh
+diff --color -rupN freesurfer-orig/bin/morph_subject-rh freesurfer-patched/bin/morph_subject-rh
+--- freesurfer-orig/bin/morph_subject-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_subject-rh 2022-11-18 09:37:05.731692928 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # morph_subject-rh
+diff --color -rupN freesurfer-orig/bin/morph_tables-lh freesurfer-patched/bin/morph_tables-lh
+--- freesurfer-orig/bin/morph_tables-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_tables-lh 2022-11-18 09:37:05.335690743 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # morph_tables-lh
+diff --color -rupN freesurfer-orig/bin/morph_tables-rh freesurfer-patched/bin/morph_tables-rh
+--- freesurfer-orig/bin/morph_tables-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/morph_tables-rh 2022-11-18 09:37:06.067694782 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # morph_tables-rh
+diff --color -rupN freesurfer-orig/bin/mpr2mni305 freesurfer-patched/bin/mpr2mni305
+--- freesurfer-orig/bin/mpr2mni305 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mpr2mni305 2022-11-18 09:37:04.219684585 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # Register an image to an average subject which
+ # itself has been registered to the MNI average_305 subject.
+diff --color -rupN freesurfer-orig/bin/mri_add_new_tp freesurfer-patched/bin/mri_add_new_tp
+--- freesurfer-orig/bin/mri_add_new_tp 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_add_new_tp 2022-11-18 09:37:05.827693457 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri_add_new_tp
+diff --color -rupN freesurfer-orig/bin/mri_align_long.csh freesurfer-patched/bin/mri_align_long.csh
+--- freesurfer-orig/bin/mri_align_long.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_align_long.csh 2022-11-18 09:37:06.187695445 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri_align_long.csh
+diff --color -rupN freesurfer-orig/bin/mri_create_t2combined freesurfer-patched/bin/mri_create_t2combined
+--- freesurfer-orig/bin/mri_create_t2combined 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_create_t2combined 2022-11-18 09:37:05.691692707 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set bin=mri_create_t2combined
+
+diff --color -rupN freesurfer-orig/bin/mri_cvs_check freesurfer-patched/bin/mri_cvs_check
+--- freesurfer-orig/bin/mri_cvs_check 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/bin/mri_cvs_check 2022-11-18 09:37:04.559686461 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+
+ # mri_cvs_check
+diff --color -rupN freesurfer-orig/bin/mri_cvs_data_copy freesurfer-patched/bin/mri_cvs_data_copy
+--- freesurfer-orig/bin/mri_cvs_data_copy 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/bin/mri_cvs_data_copy 2022-11-18 09:37:06.003694429 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+
+ # mri_cvs_data_copy
+diff --color -rupN freesurfer-orig/bin/mri_cvs_register freesurfer-patched/bin/mri_cvs_register
+--- freesurfer-orig/bin/mri_cvs_register 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/bin/mri_cvs_register 2022-11-18 09:37:05.295690522 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+
+ # mri_cvs_register
+diff --color -rupN freesurfer-orig/bin/mri-func2sph freesurfer-patched/bin/mri-func2sph
+--- freesurfer-orig/bin/mri-func2sph 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri-func2sph 2022-11-18 09:37:03.843682511 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri-func2sph
+diff --color -rupN freesurfer-orig/bin/mri-funcvits freesurfer-patched/bin/mri-funcvits
+--- freesurfer-orig/bin/mri-funcvits 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri-funcvits 2022-11-18 09:37:04.815687874 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri-funcvits
+diff --color -rupN freesurfer-orig/bin/mri_glmfit-sim freesurfer-patched/bin/mri_glmfit-sim
+--- freesurfer-orig/bin/mri_glmfit-sim 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_glmfit-sim 2022-11-18 09:37:05.719692862 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ set VERSION = 'mri_glmfit-sim 7.3.2';
+ setenv LANG en_US.UTF-8
+
+diff --color -rupN freesurfer-orig/bin/mri_mergelabels freesurfer-patched/bin/mri_mergelabels
+--- freesurfer-orig/bin/mri_mergelabels 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_mergelabels 2022-11-18 09:37:03.971683217 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri_mergelabels
+diff --color -rupN freesurfer-orig/bin/mri_motion_correct2 freesurfer-patched/bin/mri_motion_correct2
+--- freesurfer-orig/bin/mri_motion_correct2 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_motion_correct2 2022-11-18 09:37:04.739687454 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri_motion_correct2
+diff --color -rupN freesurfer-orig/bin/mri_motion_correct.fsl freesurfer-patched/bin/mri_motion_correct.fsl
+--- freesurfer-orig/bin/mri_motion_correct.fsl 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_motion_correct.fsl 2022-11-18 09:37:06.303696085 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri_motion_correct.fsl
+diff --color -rupN freesurfer-orig/bin/mri_nu_correct.mni freesurfer-patched/bin/mri_nu_correct.mni
+--- freesurfer-orig/bin/mri_nu_correct.mni 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_nu_correct.mni 2022-11-18 09:37:04.571686527 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri_nu_correct.mni
+diff --color -rupN freesurfer-orig/bin/mri_reorient_LR.csh freesurfer-patched/bin/mri_reorient_LR.csh
+--- freesurfer-orig/bin/mri_reorient_LR.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri_reorient_LR.csh 2022-11-18 09:37:06.007694451 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # mri_reorient_LR
+ #
+diff --color -rupN freesurfer-orig/bin/mris_compute_lgi freesurfer-patched/bin/mris_compute_lgi
+--- freesurfer-orig/bin/mris_compute_lgi 2022-08-04 06:51:43.000000000 +0200
++++ freesurfer-patched/bin/mris_compute_lgi 2022-11-18 09:37:04.747687498 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mris_compute_lgi
+diff --color -rupN freesurfer-orig/bin/mri-sph2surf freesurfer-patched/bin/mri-sph2surf
+--- freesurfer-orig/bin/mri-sph2surf 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mri-sph2surf 2022-11-18 09:37:04.799687785 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mri-sph2surf
+diff --color -rupN freesurfer-orig/bin/mris_preproc freesurfer-patched/bin/mris_preproc
+--- freesurfer-orig/bin/mris_preproc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mris_preproc 2022-11-18 09:37:04.391685534 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mris_preproc
+diff --color -rupN freesurfer-orig/bin/mris_volsmooth freesurfer-patched/bin/mris_volsmooth
+--- freesurfer-orig/bin/mris_volsmooth 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/mris_volsmooth 2022-11-18 09:37:05.515691736 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # mris_volsmooth
+diff --color -rupN freesurfer-orig/bin/ms_refine_subject freesurfer-patched/bin/ms_refine_subject
+--- freesurfer-orig/bin/ms_refine_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/ms_refine_subject 2022-11-18 09:37:06.555697475 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # ms_refine_subject
+diff --color -rupN freesurfer-orig/bin/orientLAS freesurfer-patched/bin/orientLAS
+--- freesurfer-orig/bin/orientLAS 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/orientLAS 2022-11-18 09:37:06.555697475 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ # orientLAS
+ #
+diff --color -rupN freesurfer-orig/bin/parc_atlas_jackknife_test freesurfer-patched/bin/parc_atlas_jackknife_test
+--- freesurfer-orig/bin/parc_atlas_jackknife_test 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/parc_atlas_jackknife_test 2022-11-18 09:37:04.563686483 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # parc_atlas_jackknife_test
+@@ -291,7 +291,7 @@ foreach test_subj ($ALL_SUBJECTS)
+ if (-e ${sphere_reg}) rm -f ${sphere_reg}
+ if ($PBS) then
+ set cmdf=(${WD}/${hemi}.${test_subj}${reg_append}.cmd)
+- echo "#! /bin/tcsh -ef" > ${cmdf}
++ echo "#!/usr/bin/env/tcsh -ef" > ${cmdf}
+ echo "limit filesize 10megabytes" >> ${cmdf}
+ echo "${cmd} |& tee -a ${LF}" >> ${cmdf}
+ chmod a+x ${cmdf}
+diff --color -rupN freesurfer-orig/bin/pctsurfcon freesurfer-patched/bin/pctsurfcon
+--- freesurfer-orig/bin/pctsurfcon 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/pctsurfcon 2022-11-18 09:37:05.459691427 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # pctsurfcon
+diff --color -rupN freesurfer-orig/bin/polyorder freesurfer-patched/bin/polyorder
+--- freesurfer-orig/bin/polyorder 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/polyorder 2022-11-18 09:37:04.207684519 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # polyorder
+
+ set VERSION = 'polyorder 7.3.2';
+diff --color -rupN freesurfer-orig/bin/print_unique_labels.csh freesurfer-patched/bin/print_unique_labels.csh
+--- freesurfer-orig/bin/print_unique_labels.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/print_unique_labels.csh 2022-11-18 09:37:04.015683460 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # print_unique_labels
+ #
+diff --color -rupN freesurfer-orig/bin/rbbr freesurfer-patched/bin/rbbr
+--- freesurfer-orig/bin/rbbr 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/rbbr 2022-11-18 09:37:04.167684299 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # rbbr
+
+ set VERSION = 'rbbr 7.3.2';
+diff --color -rupN freesurfer-orig/bin/rca-base-init freesurfer-patched/bin/rca-base-init
+--- freesurfer-orig/bin/rca-base-init 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/rca-base-init 2022-11-18 09:37:04.711687299 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # rca-base-init - initialize base subject for recon-all processing. Mostly, code was just
+ # cut out of recon-all, so there are some things that look funny (eg, DoCreateBaseSubj is
+ # explicitly set to 1 and checked eventhough that is what this script does). I wanted
+diff --color -rupN freesurfer-orig/bin/rca-long-tp-init freesurfer-patched/bin/rca-long-tp-init
+--- freesurfer-orig/bin/rca-long-tp-init 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/rca-long-tp-init 2022-11-18 09:37:04.571686527 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # rca-long-tp-init - initialize long timepoint subject for recon-all
+ # processing. Mostly, code was just cut out of recon-all, so there are
+diff --color -rupN freesurfer-orig/bin/rcbf-prep freesurfer-patched/bin/rcbf-prep
+--- freesurfer-orig/bin/rcbf-prep 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/rcbf-prep 2022-11-18 09:37:05.315690632 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # rcbf-prep
+
+ set VERSION = 'rcbf-prep 7.3.2';
+diff --color -rupN freesurfer-orig/bin/rebuild_gca_atlas.csh freesurfer-patched/bin/rebuild_gca_atlas.csh
+--- freesurfer-orig/bin/rebuild_gca_atlas.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/rebuild_gca_atlas.csh 2022-11-18 09:37:05.187689926 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # rebuild_gca_atlas.csh
+diff --color -rupN freesurfer-orig/bin/recon-all freesurfer-patched/bin/recon-all
+--- freesurfer-orig/bin/recon-all 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/recon-all 2022-11-18 09:37:05.839693524 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # recon-all
+diff --color -rupN freesurfer-orig/bin/reg2subject freesurfer-patched/bin/reg2subject
+--- freesurfer-orig/bin/reg2subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/reg2subject 2022-11-18 09:37:03.903682842 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # reg2subject
+
+ set VERSION = 'reg2subject 7.3.2';
+diff --color -rupN freesurfer-orig/bin/reg-feat2anat freesurfer-patched/bin/reg-feat2anat
+--- freesurfer-orig/bin/reg-feat2anat 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/reg-feat2anat 2022-11-18 09:37:04.067683747 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # reg-feat2anat
+diff --color -rupN freesurfer-orig/bin/register_child freesurfer-patched/bin/register_child
+--- freesurfer-orig/bin/register_child 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/register_child 2022-11-18 09:37:04.667687057 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # register_child
+diff --color -rupN freesurfer-orig/bin/register.csh freesurfer-patched/bin/register.csh
+--- freesurfer-orig/bin/register.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/register.csh 2022-11-18 09:37:05.731692928 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # register.csh
+diff --color -rupN freesurfer-orig/bin/register_subject freesurfer-patched/bin/register_subject
+--- freesurfer-orig/bin/register_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/register_subject 2022-11-18 09:37:04.419685688 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # register_subject
+diff --color -rupN freesurfer-orig/bin/register_subject_flash freesurfer-patched/bin/register_subject_flash
+--- freesurfer-orig/bin/register_subject_flash 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/register_subject_flash 2022-11-18 09:37:06.307696107 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # register_subject_flash
+diff --color -rupN freesurfer-orig/bin/register_subject_mixed freesurfer-patched/bin/register_subject_mixed
+--- freesurfer-orig/bin/register_subject_mixed 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/register_subject_mixed 2022-11-18 09:37:03.711681784 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # register_subject_mixed
+diff --color -rupN freesurfer-orig/bin/reinflate_subject freesurfer-patched/bin/reinflate_subject
+--- freesurfer-orig/bin/reinflate_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/reinflate_subject 2022-11-18 09:37:05.059689220 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # reinflate_subject
+diff --color -rupN freesurfer-orig/bin/reinflate_subject-lh freesurfer-patched/bin/reinflate_subject-lh
+--- freesurfer-orig/bin/reinflate_subject-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/reinflate_subject-lh 2022-11-18 09:37:04.727687388 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # reinflate_subject-lh
+diff --color -rupN freesurfer-orig/bin/reinflate_subject-rh freesurfer-patched/bin/reinflate_subject-rh
+--- freesurfer-orig/bin/reinflate_subject-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/reinflate_subject-rh 2022-11-18 09:37:06.439696835 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # reinflate_subject-rh
+diff --color -rupN freesurfer-orig/bin/remove_talairach freesurfer-patched/bin/remove_talairach
+--- freesurfer-orig/bin/remove_talairach 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/remove_talairach 2022-11-18 09:37:04.207684519 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # remove_talairach
+diff --color -rupN freesurfer-orig/bin/renormalize_subject freesurfer-patched/bin/renormalize_subject
+--- freesurfer-orig/bin/renormalize_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/renormalize_subject 2022-11-18 09:37:05.183689904 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # renormalize_subject
+diff --color -rupN freesurfer-orig/bin/renormalize_subject_keep_editting freesurfer-patched/bin/renormalize_subject_keep_editting
+--- freesurfer-orig/bin/renormalize_subject_keep_editting 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/renormalize_subject_keep_editting 2022-11-18 09:37:06.067694782 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # renormalize_subject_keep_editting
+diff --color -rupN freesurfer-orig/bin/renormalize_T1_subject freesurfer-patched/bin/renormalize_T1_subject
+--- freesurfer-orig/bin/renormalize_T1_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/renormalize_T1_subject 2022-11-18 09:37:03.755682026 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # renormalize_T1_subject
+diff --color -rupN freesurfer-orig/bin/reregister_subject_mixed freesurfer-patched/bin/reregister_subject_mixed
+--- freesurfer-orig/bin/reregister_subject_mixed 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/reregister_subject_mixed 2022-11-18 09:37:05.891693811 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # reregister_subject_mixed
+diff --color -rupN freesurfer-orig/bin/rtview freesurfer-patched/bin/rtview
+--- freesurfer-orig/bin/rtview 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/rtview 2022-11-18 09:37:04.419685688 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # rtview
+
+ set VERSION = 'rtview 7.3.2';
+diff --color -rupN freesurfer-orig/bin/run_mris_preproc freesurfer-patched/bin/run_mris_preproc
+--- freesurfer-orig/bin/run_mris_preproc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/run_mris_preproc 2022-11-18 09:37:05.675692619 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # Script to create a cache of the preprocessed files needed by qdec.
+diff --color -rupN freesurfer-orig/bin/run-qdec-glm freesurfer-patched/bin/run-qdec-glm
+--- freesurfer-orig/bin/run-qdec-glm 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/run-qdec-glm 2022-11-18 09:37:05.195689970 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # run-qdec-glm
+diff --color -rupN freesurfer-orig/bin/samseg freesurfer-patched/bin/samseg
+--- freesurfer-orig/bin/samseg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/samseg 2022-11-18 09:37:05.703692774 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # samseg
+
+ set VERSION = 'samseg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/samseg2recon freesurfer-patched/bin/samseg2recon
+--- freesurfer-orig/bin/samseg2recon 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/samseg2recon 2022-11-18 09:37:06.219695621 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ # samseg2recon - create and populate a subjects dir in a way that
+ # recon-all can be run on it.
+diff --color -rupN freesurfer-orig/bin/samseg-long freesurfer-patched/bin/samseg-long
+--- freesurfer-orig/bin/samseg-long 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/samseg-long 2022-11-18 09:37:04.783687697 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # samseg-long - sources
+ if(-e $FREESURFER_HOME/sources.csh) then
+ source $FREESURFER_HOME/sources.csh
+diff --color -rupN freesurfer-orig/bin/seg2filled freesurfer-patched/bin/seg2filled
+--- freesurfer-orig/bin/seg2filled 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/seg2filled 2022-11-18 09:37:06.195695489 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # seg2filled - creates a filled.mgz from an aseg-style
+ # segmentation. The original intent is to use a SAMSEG segmentation to
+diff --color -rupN freesurfer-orig/bin/seg2recon freesurfer-patched/bin/seg2recon
+--- freesurfer-orig/bin/seg2recon 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/seg2recon 2022-11-18 09:37:04.571686527 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ #
+ # seg2recon - create and populate a subjects dir given the seg and
+ # input vol in a way that recon-all can be run on it. This is similar
+diff --color -rupN freesurfer-orig/bin/segmentBS.sh freesurfer-patched/bin/segmentBS.sh
+--- freesurfer-orig/bin/segmentBS.sh 2022-08-04 06:40:23.000000000 +0200
++++ freesurfer-patched/bin/segmentBS.sh 2022-11-18 09:37:04.539686351 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set tcsh61706 = (`tcsh --version | grep "6\.17\.06"`)
+ if ("$tcsh61706" != "") then
+diff --color -rupN freesurfer-orig/bin/segmentHA_T1_long.sh freesurfer-patched/bin/segmentHA_T1_long.sh
+--- freesurfer-orig/bin/segmentHA_T1_long.sh 2022-08-04 06:40:23.000000000 +0200
++++ freesurfer-patched/bin/segmentHA_T1_long.sh 2022-11-18 09:37:06.095694937 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set tcsh61706 = (`tcsh --version | grep "6\.17\.06"`)
+ if ("$tcsh61706" != "") then
+diff --color -rupN freesurfer-orig/bin/segmentHA_T1.sh freesurfer-patched/bin/segmentHA_T1.sh
+--- freesurfer-orig/bin/segmentHA_T1.sh 2022-08-04 06:40:23.000000000 +0200
++++ freesurfer-patched/bin/segmentHA_T1.sh 2022-11-18 09:37:06.179695400 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set tcsh61706 = (`tcsh --version | grep "6\.17\.06"`)
+ if ("$tcsh61706" != "") then
+diff --color -rupN freesurfer-orig/bin/segmentHA_T2.sh freesurfer-patched/bin/segmentHA_T2.sh
+--- freesurfer-orig/bin/segmentHA_T2.sh 2022-08-04 06:40:23.000000000 +0200
++++ freesurfer-patched/bin/segmentHA_T2.sh 2022-11-18 09:37:04.207684519 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set tcsh61706 = (`tcsh --version | grep "6\.17\.06"`)
+ if ("$tcsh61706" != "") then
+diff --color -rupN freesurfer-orig/bin/segment_monkey freesurfer-patched/bin/segment_monkey
+--- freesurfer-orig/bin/segment_monkey 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segment_monkey 2022-11-18 09:37:04.815687874 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # segment_monkey
+diff --color -rupN freesurfer-orig/bin/segment_subject freesurfer-patched/bin/segment_subject
+--- freesurfer-orig/bin/segment_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segment_subject 2022-11-18 09:37:04.775687653 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # segment_subject
+diff --color -rupN freesurfer-orig/bin/segment_subject_notal freesurfer-patched/bin/segment_subject_notal
+--- freesurfer-orig/bin/segment_subject_notal 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segment_subject_notal 2022-11-18 09:37:04.919688447 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # segment_subject_notal
+diff --color -rupN freesurfer-orig/bin/segment_subject_notal2 freesurfer-patched/bin/segment_subject_notal2
+--- freesurfer-orig/bin/segment_subject_notal2 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segment_subject_notal2 2022-11-18 09:37:04.587686615 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # segment_subject_notal2
+diff --color -rupN freesurfer-orig/bin/segment_subject_old_skull_strip freesurfer-patched/bin/segment_subject_old_skull_strip
+--- freesurfer-orig/bin/segment_subject_old_skull_strip 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segment_subject_old_skull_strip 2022-11-18 09:37:05.891693811 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # segment_subject_old_skull_strip
+diff --color -rupN freesurfer-orig/bin/segment_subject_sc freesurfer-patched/bin/segment_subject_sc
+--- freesurfer-orig/bin/segment_subject_sc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segment_subject_sc 2022-11-18 09:37:04.391685534 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # segment_subject_sc
+diff --color -rupN freesurfer-orig/bin/segment_subject_talmgh freesurfer-patched/bin/segment_subject_talmgh
+--- freesurfer-orig/bin/segment_subject_talmgh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segment_subject_talmgh 2022-11-18 09:37:03.751682004 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # segment_subject_talmgh
+diff --color -rupN freesurfer-orig/bin/segmentThalamicNuclei.sh freesurfer-patched/bin/segmentThalamicNuclei.sh
+--- freesurfer-orig/bin/segmentThalamicNuclei.sh 2022-08-04 06:40:23.000000000 +0200
++++ freesurfer-patched/bin/segmentThalamicNuclei.sh 2022-11-18 09:37:04.147684189 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set tcsh61706 = (`tcsh --version | grep "6\.17\.06"`)
+ if ("$tcsh61706" != "") then
+diff --color -rupN freesurfer-orig/bin/segpons freesurfer-patched/bin/segpons
+--- freesurfer-orig/bin/segpons 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/segpons 2022-11-18 09:37:05.171689838 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # segpons
+
+ set VERSION = 'segpons 7.3.2';
+diff --color -rupN freesurfer-orig/bin/setlabelstat freesurfer-patched/bin/setlabelstat
+--- freesurfer-orig/bin/setlabelstat 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/setlabelstat 2022-11-18 09:37:04.735687433 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # setlabelstat
+diff --color -rupN freesurfer-orig/bin/sfa2fieldsign freesurfer-patched/bin/sfa2fieldsign
+--- freesurfer-orig/bin/sfa2fieldsign 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/sfa2fieldsign 2022-11-18 09:37:05.059689220 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # sfa2fieldsign
+ setenv FSLOUTPUTTYPE NIFTI
+
+diff --color -rupN freesurfer-orig/bin/skip_long_make_checks freesurfer-patched/bin/skip_long_make_checks
+--- freesurfer-orig/bin/skip_long_make_checks 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/skip_long_make_checks 2022-11-18 09:37:03.691681673 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+ # if these are defined, then make check skips these long tests:
+ setenv SKIP_MRI_APARC2ASEG_TEST 1
+ setenv SKIP_MRIS_EXPAND_TEST 1
+diff --color -rupN freesurfer-orig/bin/sphere_subject freesurfer-patched/bin/sphere_subject
+--- freesurfer-orig/bin/sphere_subject 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/sphere_subject 2022-11-18 09:37:04.763687587 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # sphere_subject
+diff --color -rupN freesurfer-orig/bin/sphere_subject-lh freesurfer-patched/bin/sphere_subject-lh
+--- freesurfer-orig/bin/sphere_subject-lh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/sphere_subject-lh 2022-11-18 09:37:04.995688867 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # sphere_subject-lh
+diff --color -rupN freesurfer-orig/bin/sphere_subject-rh freesurfer-patched/bin/sphere_subject-rh
+--- freesurfer-orig/bin/sphere_subject-rh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/sphere_subject-rh 2022-11-18 09:37:03.711681784 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # sphere_subject-rh
+diff --color -rupN freesurfer-orig/bin/spmmat2register freesurfer-patched/bin/spmmat2register
+--- freesurfer-orig/bin/spmmat2register 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/spmmat2register 2022-11-18 09:37:05.295690522 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # spmmat2register
+diff --color -rupN freesurfer-orig/bin/spmregister freesurfer-patched/bin/spmregister
+--- freesurfer-orig/bin/spmregister 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/spmregister 2022-11-18 09:37:05.411691162 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # spmregister
+diff --color -rupN freesurfer-orig/bin/sratio freesurfer-patched/bin/sratio
+--- freesurfer-orig/bin/sratio 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/sratio 2022-11-18 09:37:04.927688491 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # sratio - signed ratio
+ # +A/B if A>B
+ # -B/A if B>A
+diff --color -rupN freesurfer-orig/bin/surfreg freesurfer-patched/bin/surfreg
+--- freesurfer-orig/bin/surfreg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/surfreg 2022-11-18 09:37:05.079689330 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # surfreg
+
+ set VERSION = 'surfreg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/talairach freesurfer-patched/bin/talairach
+--- freesurfer-orig/bin/talairach 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/talairach 2022-11-18 09:37:05.203690014 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # talairach
+diff --color -rupN freesurfer-orig/bin/talairach2 freesurfer-patched/bin/talairach2
+--- freesurfer-orig/bin/talairach2 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/talairach2 2022-11-18 09:37:06.207695555 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # talairach2
+diff --color -rupN freesurfer-orig/bin/talairach_avi freesurfer-patched/bin/talairach_avi
+--- freesurfer-orig/bin/talairach_avi 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/talairach_avi 2022-11-18 09:37:06.007694451 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # talairach_avi - align an image to the average_305 MNI (talairach) target
+diff --color -rupN freesurfer-orig/bin/talairach_mgh freesurfer-patched/bin/talairach_mgh
+--- freesurfer-orig/bin/talairach_mgh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/talairach_mgh 2022-11-18 09:37:06.503697188 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -ef
++#!/usr/bin/env/tcsh -ef
+
+ #
+ # talairach_mgh
+diff --color -rupN freesurfer-orig/bin/talsegprob freesurfer-patched/bin/talsegprob
+--- freesurfer-orig/bin/talsegprob 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/talsegprob 2022-11-18 09:37:05.447691361 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # talsegprob
+diff --color -rupN freesurfer-orig/bin/test_recon-all.csh freesurfer-patched/bin/test_recon-all.csh
+--- freesurfer-orig/bin/test_recon-all.csh 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/test_recon-all.csh 2022-11-18 09:37:05.571692045 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # Name: test_recon-all.csh
+diff --color -rupN freesurfer-orig/bin/tkmeditfv freesurfer-patched/bin/tkmeditfv
+--- freesurfer-orig/bin/tkmeditfv 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/tkmeditfv 2022-11-18 09:37:04.711687299 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # tkmeditfv
+
+ set VERSION = 'tkmeditfv 7.3.2';
+diff --color -rupN freesurfer-orig/bin/tkregisterfv freesurfer-patched/bin/tkregisterfv
+--- freesurfer-orig/bin/tkregisterfv 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/tkregisterfv 2022-11-18 09:37:04.279684917 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # tkregisterfv
+
+ set VERSION = 'tkregisterfv 7.3.2';
+diff --color -rupN freesurfer-orig/bin/tksurferfv freesurfer-patched/bin/tksurferfv
+--- freesurfer-orig/bin/tksurferfv 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/tksurferfv 2022-11-18 09:37:05.063689241 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # tkmeditfv
+
+ set VERSION = 'tksurferfv 7.3.2';
+diff --color -rupN freesurfer-orig/bin/trac-all freesurfer-patched/bin/trac-all
+--- freesurfer-orig/bin/trac-all 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/trac-all 2022-11-18 09:37:06.507697211 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # trac-all
+diff --color -rupN freesurfer-orig/bin/trac-paths freesurfer-patched/bin/trac-paths
+--- freesurfer-orig/bin/trac-paths 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/trac-paths 2022-11-18 09:37:03.971683217 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # trac-paths
+diff --color -rupN freesurfer-orig/bin/trac-preproc freesurfer-patched/bin/trac-preproc
+--- freesurfer-orig/bin/trac-preproc 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/trac-preproc 2022-11-18 09:37:05.111689507 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # trac-preproc
+diff --color -rupN freesurfer-orig/bin/train-gcs-atlas freesurfer-patched/bin/train-gcs-atlas
+--- freesurfer-orig/bin/train-gcs-atlas 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/train-gcs-atlas 2022-11-18 09:37:04.783687697 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # train-gcs-atlas
+
+ if(-e $FREESURFER_HOME/sources.csh) then
+diff --color -rupN freesurfer-orig/bin/unpackimadir freesurfer-patched/bin/unpackimadir
+--- freesurfer-orig/bin/unpackimadir 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/unpackimadir 2022-11-18 09:37:03.823682401 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # unpackimadir
+diff --color -rupN freesurfer-orig/bin/unpackmincdir freesurfer-patched/bin/unpackmincdir
+--- freesurfer-orig/bin/unpackmincdir 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/unpackmincdir 2022-11-18 09:37:04.603686704 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # Name: unpackmincdir
+ # Purpose: unpacks the functionals and anatomicals and copies others
+diff --color -rupN freesurfer-orig/bin/vertexvol freesurfer-patched/bin/vertexvol
+--- freesurfer-orig/bin/vertexvol 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/vertexvol 2022-11-18 09:37:06.019694517 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ # Copyright © 2021 The General Hospital Corporation (Boston, MA) "MGH"
+ #
+diff --color -rupN freesurfer-orig/bin/vno_match_check freesurfer-patched/bin/vno_match_check
+--- freesurfer-orig/bin/vno_match_check 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/vno_match_check 2022-11-18 09:37:05.167689816 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #set echo=1
+
+diff --color -rupN freesurfer-orig/bin/vol2segavg freesurfer-patched/bin/vol2segavg
+--- freesurfer-orig/bin/vol2segavg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/vol2segavg 2022-11-18 09:37:06.179695400 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # vol2segavg
+
+ set VERSION = 'vol2segavg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/vol2subfield freesurfer-patched/bin/vol2subfield
+--- freesurfer-orig/bin/vol2subfield 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/vol2subfield 2022-11-18 09:37:04.291684982 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # vol2subfield -
+
+ if(-e $FREESURFER_HOME/sources.csh) then
+diff --color -rupN freesurfer-orig/bin/vol2symsurf freesurfer-patched/bin/vol2symsurf
+--- freesurfer-orig/bin/vol2symsurf 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/vol2symsurf 2022-11-18 09:37:03.703681739 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # vol2symsurf
+
+ set VERSION = 'vol2symsurf 7.3.2';
+diff --color -rupN freesurfer-orig/bin/vsm-smooth freesurfer-patched/bin/vsm-smooth
+--- freesurfer-orig/bin/vsm-smooth 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/vsm-smooth 2022-11-18 09:37:03.911682886 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # vsm-smooth
+
+ set VERSION = 'vsm-smooth 7.3.2';
+diff --color -rupN freesurfer-orig/bin/wfilemask freesurfer-patched/bin/wfilemask
+--- freesurfer-orig/bin/wfilemask 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/wfilemask 2022-11-18 09:37:03.979683261 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # wfilemask
+diff --color -rupN freesurfer-orig/bin/wm-anat-snr freesurfer-patched/bin/wm-anat-snr
+--- freesurfer-orig/bin/wm-anat-snr 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/wm-anat-snr 2022-11-18 09:37:04.519686241 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ set VERSION = 'wm-anat-snr 7.3.2';
+ set inputargs = ($argv);
+diff --color -rupN freesurfer-orig/bin/wmedits2surf freesurfer-patched/bin/wmedits2surf
+--- freesurfer-orig/bin/wmedits2surf 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/wmedits2surf 2022-11-18 09:37:04.763687587 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # wmedits2surf
+
+ set VERSION = 'wmedits2surf 7.3.2';
+diff --color -rupN freesurfer-orig/bin/wmsaseg freesurfer-patched/bin/wmsaseg
+--- freesurfer-orig/bin/wmsaseg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/wmsaseg 2022-11-18 09:37:05.779693193 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # wmsaseg
+
+ set VERSION = 'wmsaseg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/xcerebralseg freesurfer-patched/bin/xcerebralseg
+--- freesurfer-orig/bin/xcerebralseg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/xcerebralseg 2022-11-18 09:37:05.755693060 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # xcerebralseg
+
+ set VERSION = 'xcerebralseg 7.3.2';
+diff --color -rupN freesurfer-orig/bin/xcorr freesurfer-patched/bin/xcorr
+--- freesurfer-orig/bin/xcorr 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/xcorr 2022-11-18 09:37:04.651686969 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # xcorr
+
+ set VERSION = 'xcorr 7.3.2';
+diff --color -rupN freesurfer-orig/bin/xfmrot freesurfer-patched/bin/xfmrot
+--- freesurfer-orig/bin/xfmrot 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/xfmrot 2022-11-18 09:37:05.499691648 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ if ($#argv < 2 || $#argv > 3) then
+ echo "xfmrot <transform file> <input vector file> [<output vector file>]"
+diff --color -rupN freesurfer-orig/bin/xhemi-tal freesurfer-patched/bin/xhemi-tal
+--- freesurfer-orig/bin/xhemi-tal 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/xhemi-tal 2022-11-18 09:37:06.087694892 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # xhemi-tal
+diff --color -rupN freesurfer-orig/bin/xsanatreg freesurfer-patched/bin/xsanatreg
+--- freesurfer-orig/bin/xsanatreg 2022-08-04 06:51:40.000000000 +0200
++++ freesurfer-patched/bin/xsanatreg 2022-11-18 09:37:04.819687895 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # xsanatreg
+diff --color -rupN freesurfer-orig/fsfast/bin/acorfunc-sess freesurfer-patched/fsfast/bin/acorfunc-sess
+--- freesurfer-orig/fsfast/bin/acorfunc-sess 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/acorfunc-sess 2022-11-18 09:37:37.743870251 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # acorfunc-sess
+diff --color -rupN freesurfer-orig/fsfast/bin/autoreg-fsl freesurfer-patched/fsfast/bin/autoreg-fsl
+--- freesurfer-orig/fsfast/bin/autoreg-fsl 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/autoreg-fsl 2022-11-18 09:37:37.835870762 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # autoreg-fsl
+diff --color -rupN freesurfer-orig/fsfast/bin/check-sliceres-sess freesurfer-patched/fsfast/bin/check-sliceres-sess
+--- freesurfer-orig/fsfast/bin/check-sliceres-sess 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/check-sliceres-sess 2022-11-18 09:37:37.767870384 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # check-sliceres-sess
+diff --color -rupN freesurfer-orig/fsfast/bin/fcseedcor freesurfer-patched/fsfast/bin/fcseedcor
+--- freesurfer-orig/fsfast/bin/fcseedcor 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/fcseedcor 2022-11-18 09:37:37.803870584 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fcseedcor
+
+ set VERSION = 'fcseedcor 7.3.2';
+diff --color -rupN freesurfer-orig/fsfast/bin/fsfast-gui-bug freesurfer-patched/fsfast/bin/fsfast-gui-bug
+--- freesurfer-orig/fsfast/bin/fsfast-gui-bug 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/fsfast-gui-bug 2022-11-18 09:37:37.767870384 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # recon-all
+
+ set VERSION = 'fsfast-gui-bug 7.3.2';
+diff --color -rupN freesurfer-orig/fsfast/bin/fsfeatffx freesurfer-patched/fsfast/bin/fsfeatffx
+--- freesurfer-orig/fsfast/bin/fsfeatffx 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/fsfeatffx 2022-11-18 09:37:37.787870495 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # fsfeatffx
+ #
+
+diff --color -rupN freesurfer-orig/fsfast/bin/functwf-sess freesurfer-patched/fsfast/bin/functwf-sess
+--- freesurfer-orig/fsfast/bin/functwf-sess 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/functwf-sess 2022-11-18 09:37:37.835870762 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # functwf-sess
+diff --color -rupN freesurfer-orig/fsfast/bin/isxavg-re freesurfer-patched/fsfast/bin/isxavg-re
+--- freesurfer-orig/fsfast/bin/isxavg-re 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/isxavg-re 2022-11-18 09:37:37.851870851 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # isxavg-re
+diff --color -rupN freesurfer-orig/fsfast/bin/lrst-blk-sess freesurfer-patched/fsfast/bin/lrst-blk-sess
+--- freesurfer-orig/fsfast/bin/lrst-blk-sess 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/lrst-blk-sess 2022-11-18 09:37:37.727870161 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # lrst-blk-sess
+diff --color -rupN freesurfer-orig/fsfast/bin/mcdat2mcextreg freesurfer-patched/fsfast/bin/mcdat2mcextreg
+--- freesurfer-orig/fsfast/bin/mcdat2mcextreg 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/mcdat2mcextreg 2022-11-18 09:37:37.779870451 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # mcdat2extreg
+
+ set VERSION = 'mcdat2mcextreg 7.3.2';
+diff --color -rupN freesurfer-orig/fsfast/bin/mkbrainmask freesurfer-patched/fsfast/bin/mkbrainmask
+--- freesurfer-orig/fsfast/bin/mkbrainmask 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/mkbrainmask 2022-11-18 09:37:37.783870473 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # mkbrainmask
+
+ set VERSION = 'mkbrainmask 7.3.2';
+diff --color -rupN freesurfer-orig/fsfast/bin/preproc-sess freesurfer-patched/fsfast/bin/preproc-sess
+--- freesurfer-orig/fsfast/bin/preproc-sess 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/preproc-sess 2022-11-18 09:37:37.727870161 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # preproc-sess - runs preprocessing (mc, spatsmooth, mkbrainmask, inorm)
+diff --color -rupN freesurfer-orig/fsfast/bin/roixrunsum-sess freesurfer-patched/fsfast/bin/roixrunsum-sess
+--- freesurfer-orig/fsfast/bin/roixrunsum-sess 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/roixrunsum-sess 2022-11-18 09:37:37.791870517 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # roixrunsum-sess - cross-run summary of an ROI
+diff --color -rupN freesurfer-orig/fsfast/bin/vlrmerge freesurfer-patched/fsfast/bin/vlrmerge
+--- freesurfer-orig/fsfast/bin/vlrmerge 2022-08-04 06:51:42.000000000 +0200
++++ freesurfer-patched/fsfast/bin/vlrmerge 2022-11-18 09:37:37.775870429 +0100
+@@ -1,4 +1,4 @@
+-#!/bin/tcsh -f
++#!/usr/bin/env tcsh
+ # vlrmerge
+
+ set VERSION = 'vlrmerge 7.3.2';
+diff --color -rupN freesurfer-orig/subjects/bert/scripts/recon-all.local-copy freesurfer-patched/subjects/bert/scripts/recon-all.local-copy
+--- freesurfer-orig/subjects/bert/scripts/recon-all.local-copy 2022-06-17 12:00:06.000000000 +0200
++++ freesurfer-patched/subjects/bert/scripts/recon-all.local-copy 2022-11-18 09:37:58.939988364 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # recon-all
+diff --color -rupN freesurfer-orig/subjects/cvs_avg35/scripts/recon-all.local-copy freesurfer-patched/subjects/cvs_avg35/scripts/recon-all.local-copy
+--- freesurfer-orig/subjects/cvs_avg35/scripts/recon-all.local-copy 2012-03-13 17:54:03.000000000 +0100
++++ freesurfer-patched/subjects/cvs_avg35/scripts/recon-all.local-copy 2022-11-18 09:38:03.936016283 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # recon-all
+diff --color -rupN freesurfer-orig/subjects/cvs_avg35_inMNI152/scripts/recon-all.local-copy freesurfer-patched/subjects/cvs_avg35_inMNI152/scripts/recon-all.local-copy
+--- freesurfer-orig/subjects/cvs_avg35_inMNI152/scripts/recon-all.local-copy 2012-09-10 22:29:20.000000000 +0200
++++ freesurfer-patched/subjects/cvs_avg35_inMNI152/scripts/recon-all.local-copy 2022-11-18 09:38:06.220029057 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # recon-all
+diff --color -rupN freesurfer-orig/subjects/fsaverage/scripts/recon-all.local-copy freesurfer-patched/subjects/fsaverage/scripts/recon-all.local-copy
+--- freesurfer-orig/subjects/fsaverage/scripts/recon-all.local-copy 2010-12-30 23:40:05.000000000 +0100
++++ freesurfer-patched/subjects/fsaverage/scripts/recon-all.local-copy 2022-11-18 09:38:00.355996275 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # recon-all
+diff --color -rupN freesurfer-orig/subjects/fsaverage/xhemi/scripts/recon-all.local-copy freesurfer-patched/subjects/fsaverage/xhemi/scripts/recon-all.local-copy
+--- freesurfer-orig/subjects/fsaverage/xhemi/scripts/recon-all.local-copy 2015-11-13 17:35:32.000000000 +0100
++++ freesurfer-patched/subjects/fsaverage/xhemi/scripts/recon-all.local-copy 2022-11-18 09:38:01.036000074 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # recon-all
+diff --color -rupN freesurfer-orig/subjects/fsaverage_sym/scripts/recon-all.local-copy freesurfer-patched/subjects/fsaverage_sym/scripts/recon-all.local-copy
+--- freesurfer-orig/subjects/fsaverage_sym/scripts/recon-all.local-copy 2012-01-12 19:10:41.000000000 +0100
++++ freesurfer-patched/subjects/fsaverage_sym/scripts/recon-all.local-copy 2022-11-18 09:38:02.448007965 +0100
+@@ -1,4 +1,4 @@
+-#! /bin/tcsh -f
++#!/usr/bin/env tcsh
+
+ #
+ # recon-all
diff --git a/Golden_Repo/f/FreeSurfer/license_text.txt b/Golden_Repo/f/FreeSurfer/license_text.txt
new file mode 100644
index 0000000000000000000000000000000000000000..131a14abcc29e1185ea442083a1bda717215fd9e
--- /dev/null
+++ b/Golden_Repo/f/FreeSurfer/license_text.txt
@@ -0,0 +1,6 @@
+"""r.deepu@fz-juelich.de
+51392
+ *CsaBFnUlfG0.
+ FSk7cKa1irCLs"""
+
+
diff --git a/Golden_Repo/f/flatbuffers/flatbuffers-2.0.7-GCCcore-11.3.0.eb b/Golden_Repo/f/flatbuffers/flatbuffers-2.0.7-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..019f393bdd0b9b074c656d42dffadf26e4e0c0e2
--- /dev/null
+++ b/Golden_Repo/f/flatbuffers/flatbuffers-2.0.7-GCCcore-11.3.0.eb
@@ -0,0 +1,60 @@
+##
+# Author: Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+easyblock = 'CMakeNinja'
+
+name = 'flatbuffers'
+version = '2.0.7'
+
+homepage = 'https://github.com/google/flatbuffers/'
+description = """FlatBuffers: Memory Efficient Serialization Library
+
+Includes the Flatbuffers compiler, C/C++ bindings and Python runtime library.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/google/flatbuffers/archive/v%(version)s/']
+sources = [SOURCE_TAR_GZ]
+checksums = ['4c7986174dc3941220bf14feaacaad409c3e1526d9ad7f490366fede9a6f43fa']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1'),
+ ('Ninja', '1.10.2'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+]
+
+# Install into the same dir as the Python extension which is /lib
+configopts = '-DFLATBUFFERS_ENABLE_PCH=ON -DCMAKE_INSTALL_LIBDIR=lib'
+
+exts_defaultclass = 'PythonPackage'
+exts_default_options = {
+ 'source_urls': [PYPI_SOURCE],
+ 'download_dep_fail': True,
+ 'use_pip': True,
+ 'sanity_pip_check': True,
+}
+
+exts_list = [
+ ('flatbuffers', version, {
+ 'sources': {
+ 'download_filename': SOURCE_TAR_GZ,
+ 'filename': '%(name)s-python-%(version)s.tar.gz',
+ },
+ 'checksums': ['0ae7d69c5b82bf41962ca5fde9cc43033bc9501311d975fd5a25e8a7d29c1245'],
+ }),
+]
+
+sanity_check_paths = {
+ 'files': ['include/flatbuffers/flatbuffers.h', 'bin/flatc', 'lib/libflatbuffers.a'],
+ 'dirs': ['lib/cmake', 'lib/python%(pyshortver)s/site-packages'],
+}
+
+modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
+
+moduleclass = 'devel'
diff --git a/Golden_Repo/g/GlobalArrays/GlobalArrays-5.8.2-intel-para-2022a.eb b/Golden_Repo/g/GlobalArrays/GlobalArrays-5.8.2-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..df5acdafb2eb8968af22dfcc3ae043729d02b687
--- /dev/null
+++ b/Golden_Repo/g/GlobalArrays/GlobalArrays-5.8.2-intel-para-2022a.eb
@@ -0,0 +1,60 @@
+easyblock = 'ConfigureMake'
+
+name = 'GlobalArrays'
+version = '5.8.2'
+
+homepage = 'https://hpc.pnl.gov/globalarrays'
+description = """
+ Global Arrays is a portable Non-Uniform Memory Access (NUMA) shared-memory programming environment
+ for distributed and shared memory computers. It augments the message-passing model by providing a
+ shared-memory like access to distributed dense arrays. This is also known as the
+ Partitioned Global Address Space (PGAS) model. ComEx is a successor to ARMCI and provides an
+ ARMCI-compatible interface. New parallel runtime development takes place within ComEx
+ including the MPI-only runtimes. DRA (Disk Resident Arrays) is a parallel I/O library that
+ maintains dense two-dimensional arrays on disk. SF (Shared Files) is a parallel I/O library that
+ allows noncollective I/O to a parallel file. EAF (Exclusive Access Files) is parallel I/O library
+ that supports I/O to private files. TCGMSG is a simple, efficient, but obsolete message-passing library.
+ TCGMSG-MPI is a TCGMSG interface implementation on top of MPI and ARMCI.
+ MA is a dynamic memory allocator/manager for Fortran and C programs.
+ GA++ is a C++ binding for global arrays.
+ """
+
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'optarch': True, 'pic': True, 'usempi': True, 'opt': False}
+
+source_urls = ['https://github.com/GlobalArrays/ga/releases/download/v%(version)s']
+sources = ['ga.%(version)s.tgz']
+
+checksums = ['679570cb037f3f0ad14282c31ee795a9684a294c14ec9cf13ebcdc130c4474a5']
+
+# download contains configure already preconfigopts = './autogen.sh && mkdir build && pushd build'
+preconfigopts = ' mkdir build && pushd build && '
+configure_cmd = '../configure '
+configure_cmd += ' --enable-i8 --enable-shared --with-openib --with-mpi '
+configure_cmd += ' --with-blas8="-lmkl_intel_ilp64 -lmkl_sequential -lmkl_core" '
+configure_cmd += ' --with-lapack8="-lmkl_intel_ilp64 -lmkl_sequential -lmkl_core" '
+configure_cmd += ' --with-scalapack8="-lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64"'
+configure_cmd += ' LIBS="-libumad -libverbs -lpthread"'
+configure_cmd += ' MPIF77=mpif90 MPIF90=mpif90 MPICC=mpicc MPICXX=mpicxx'
+
+local_test = '%%(installdir)s/%s' % 'test'
+
+prebuildopts = 'pushd build &&'
+
+preinstallopts = 'pushd build && mkdir %s &&' % local_test
+preinstallopts += 'pushd global/testing && cp *.x %s/ && ' % local_test
+preinstallopts += 'popd && '
+
+
+pretestopts = 'pushd build && '
+runtest = 'checkprogs'
+
+maxparallel = 1
+
+sanity_check_paths = {
+ 'files': ['bin/ga-config', 'lib/libarmci.so', 'lib/libga.so'],
+ 'dirs': ['lib', 'include', 'bin']
+}
+
+moduleclass = 'chem'
diff --git a/Golden_Repo/h/Hypre/Hypre-2.27.0-intel-para-2022a-cpu.eb b/Golden_Repo/h/Hypre/Hypre-2.27.0-intel-para-2022a-cpu.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f9df5a49a66224477f0e5bcc8f500f104fa73fa4
--- /dev/null
+++ b/Golden_Repo/h/Hypre/Hypre-2.27.0-intel-para-2022a-cpu.eb
@@ -0,0 +1,30 @@
+name = "Hypre"
+version = "2.27.0"
+versionsuffix = "-cpu"
+
+homepage = "https://computation.llnl.gov/casc/linear_solvers/sls_hypre.html"
+
+description = """Hypre is a library for solving large, sparse linear
+systems of equations on massively parallel computers.
+The problems of interest arise in the simulation codes being developed
+at LLNL and elsewhere to study physical phenomena in the defense,
+environmental, energy, and biological sciences.
+"""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+
+toolchainopts = {'pic': True, 'usempi': True, 'openmp': True}
+
+source_urls = ["https://github.com/hypre-space/hypre/archive/"]
+sources = ['v%(version)s.tar.gz']
+checksums = ['507a3d036bb1ac21a55685ae417d769dd02009bde7e09785d0ae7446b4ae1f98']
+
+start_dir = 'src'
+disable_cuda = True
+configopts = '--with-openmp '
+modextravars = {
+ 'HYPRE_ROOT': '%(installdir)s',
+ 'HYPRE_LIB': '%(installdir)s/lib',
+ 'HYPRE_INCLUDE': '%(installdir)s/include/'
+}
+moduleclass = 'numlib'
diff --git a/Golden_Repo/h/h5py/h5py-3.7.0-gpsmpi-2022a.eb b/Golden_Repo/h/h5py/h5py-3.7.0-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..c615f7c6fd948d08b2d05eb1179a020164d5645c
--- /dev/null
+++ b/Golden_Repo/h/h5py/h5py-3.7.0-gpsmpi-2022a.eb
@@ -0,0 +1,35 @@
+easyblock = 'PythonPackage'
+
+name = 'h5py'
+version = '3.7.0'
+
+homepage = 'https://www.h5py.org/'
+description = """HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library,
+ version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous
+ amounts of data."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['3fcf37884383c5da64846ab510190720027dca0768def34dd8dcb659dbe5cbf3']
+
+builddependencies = [('pkgconfig', '1.5.5', '-python')]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('HDF5', '1.12.2'),
+ ('mpi4py', '3.1.4'),
+]
+
+use_pip = True
+sanity_pip_check = True
+download_dep_fail = True
+
+# h5py's setup.py will disable setup_requires if H5PY_SETUP_REQUIRES is set to 0
+# without this environment variable, pip will fetch the minimum numpy version h5py supports during install,
+# even though SciPy-bundle provides a newer version that satisfies h5py's install_requires dependency.
+preinstallopts = 'HDF5_MPI=ON HDF5_DIR="$EBROOTHDF5" H5PY_SETUP_REQUIRES=0 '
+
+moduleclass = 'data'
diff --git a/Golden_Repo/h/h5py/h5py-3.7.0-ipsmpi-2022a.eb b/Golden_Repo/h/h5py/h5py-3.7.0-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..4118d6bc6bd10e07ff96df4592c90dbe80a30611
--- /dev/null
+++ b/Golden_Repo/h/h5py/h5py-3.7.0-ipsmpi-2022a.eb
@@ -0,0 +1,35 @@
+easyblock = 'PythonPackage'
+
+name = 'h5py'
+version = '3.7.0'
+
+homepage = 'https://www.h5py.org/'
+description = """HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library,
+ version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous
+ amounts of data."""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['3fcf37884383c5da64846ab510190720027dca0768def34dd8dcb659dbe5cbf3']
+
+builddependencies = [('pkgconfig', '1.5.5', '-python')]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('HDF5', '1.12.2'),
+ ('mpi4py', '3.1.4'),
+]
+
+use_pip = True
+sanity_pip_check = True
+download_dep_fail = True
+
+# h5py's setup.py will disable setup_requires if H5PY_SETUP_REQUIRES is set to 0
+# without this environment variable, pip will fetch the minimum numpy version h5py supports during install,
+# even though SciPy-bundle provides a newer version that satisfies h5py's install_requires dependency.
+preinstallopts = 'HDF5_MPI=ON HDF5_DIR="$EBROOTHDF5" H5PY_SETUP_REQUIRES=0 '
+
+moduleclass = 'data'
diff --git a/Golden_Repo/i/IPython/IPython-8.14.0-GCCcore-11.3.0.eb b/Golden_Repo/i/IPython/IPython-8.14.0-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e64c9a24e19def8c2ab3eb81e143913fe9b12c54
--- /dev/null
+++ b/Golden_Repo/i/IPython/IPython-8.14.0-GCCcore-11.3.0.eb
@@ -0,0 +1,198 @@
+easyblock = 'PythonBundle'
+
+name = 'IPython'
+version = '8.14.0'
+
+homepage = 'https://ipython.org/index.html'
+description = """IPython provides a rich architecture for interactive computing with:
+ Powerful interactive shells (terminal and Qt-based).
+ A browser-based notebook with support for code, text, mathematical expressions, inline plots and other rich media.
+ Support for interactive data visualization and use of GUI toolkits.
+ Flexible, embeddable interpreters to load into your own projects.
+ Easy to use, high performance tools for parallel computing."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+builddependencies = [('binutils', '2.38')]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('ZeroMQ', '4.3.4'),
+ ('lxml', '4.9.1'),
+ ('BeautifulSoup', '4.10.0'),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+]
+
+use_pip = True
+
+exts_list = [
+ ('hatchling', '1.13.0', {
+ 'checksums': ['f8d275a2cc720735286b7c2e2bc35da05761e6d3695c2fa416550395f10c53c7'],
+ }),
+ ('hatch_nodejs_version', '0.3.1', {
+ 'checksums': ['0e55fd713d92c5c1ccfee778efecaa780fd8bcd276d4ca7aff9f6791f6f76d9c'],
+ }),
+ ('ipython_genutils', '0.2.0', {
+ 'checksums': ['eb2e116e75ecef9d4d228fdc66af54269afa26ab4463042e33785b887c628ba8'],
+ }),
+ ('ipython', version, {
+ 'modulename': 'IPython',
+ 'checksums': ['1d197b907b6ba441b692c48cf2a3a2de280dc0ac91a3405b39349a50272ca0a1'],
+ }),
+ ('pickleshare', '0.7.5', {
+ 'checksums': ['87683d47965c1da65cdacaf31c8441d12b8044cdec9aca500cd78fc2c683afca'],
+ }),
+ ('prompt_toolkit', '3.0.38', {
+ 'checksums': ['23ac5d50538a9a38c8bde05fecb47d0b403ecd0662857a86f886f798563d5b9b'],
+ }),
+ ('traitlets', '5.9.0', {
+ 'checksums': ['f6cde21a9c68cf756af02035f72d5a723bf607e862e7be33ece505abf4a3bad9'],
+ }),
+ ('parso', '0.8.3', {
+ 'checksums': ['8c07be290bb59f03588915921e29e8a50002acaf2cdc5fa0e0114f91709fafa0'],
+ }),
+ ('jedi', '0.18.2', {
+ 'checksums': ['bae794c30d07f6d910d32a7048af09b5a39ed740918da923c6b780790ebac612'],
+ }),
+ ('testpath', '0.6.0', {
+ 'checksums': ['2f1b97e6442c02681ebe01bd84f531028a7caea1af3825000f52345c30285e0f'],
+ }),
+ ('Send2Trash', '1.8.2', {
+ 'checksums': ['c132d59fa44b9ca2b1699af5c86f57ce9f4c5eb56629d5d55fbb7a35f84e2312'],
+ }),
+ ('bleach', '5.0.1', {
+ 'checksums': ['0d03255c47eb9bd2f26aa9bb7f2107732e7e8fe195ca2f64709fcf3b0a4a085c'],
+ }),
+ ('pandocfilters', '1.5.0', {
+ 'checksums': ['0b679503337d233b4339a817bfc8c50064e2eff681314376a47cb582305a7a38'],
+ }),
+ ('pyzmq', '25.0.1', {
+ 'modulename': 'zmq',
+ 'checksums': ['44a24f7ce44e70d20e2a4c9ba5af70b4611df7a4b920eed2c8e0bdd5a5af225f'],
+ }),
+ ('entrypoints', '0.4', {
+ 'checksums': ['b706eddaa9218a19ebcd67b56818f05bb27589b1ca9e8d797b74affad4ccacd4'],
+ }),
+ ('jupyter_core', '5.3.0', {
+ 'checksums': ['6db75be0c83edbf1b7c9f91ec266a9a24ef945da630f3120e1a0046dc13713fc'],
+ }),
+ ('fastjsonschema', '2.17.1', {
+ 'checksums': ['f4eeb8a77cef54861dbf7424ac8ce71306f12cbb086c45131bcba2c6a4f726e3'],
+ }),
+ ('nbformat', '5.9.0', {
+ 'checksums': ['e98ebb6120c3efbafdee2a40af2a140cadee90bb06dd69a2a63d9551fcc7f976'],
+ }),
+ ('mistune', '2.0.5', {
+ 'checksums': ['0246113cb2492db875c6be56974a7c893333bf26cd92891c85f63151cee09d34'],
+ }),
+ ('defusedxml', '0.7.1', {
+ 'checksums': ['1bb3032db185915b62d7c6209c5a8792be6a32ab2fedacc84e01b52c51aa3e69'],
+ }),
+ ('async_generator', '1.10', {
+ 'checksums': ['6ebb3d106c12920aaae42ccb6f787ef5eefdcdd166ea3d628fa8476abe712144'],
+ }),
+ ('nest_asyncio', '1.5.6', {
+ 'checksums': ['d267cc1ff794403f7df692964d1d2a3fa9418ffea2a3f6859a439ff482fef290'],
+ }),
+ ('nbclient', '0.7.4', {
+ 'checksums': ['d447f0e5a4cfe79d462459aec1b3dc5c2e9152597262be8ee27f7d4c02566a0d'],
+ }),
+ ('tinycss2', '1.2.1', {
+ 'checksums': ['8cff3a8f066c2ec677c06dbc7b45619804a6938478d9d73c284b29d14ecb0627'],
+ }),
+ ('nbconvert', '7.4.0', {
+ 'checksums': ['51b6c77b507b177b73f6729dba15676e42c4e92bcb00edc8cc982ee72e7d89d7'],
+ }),
+ ('tornado', '6.2', {
+ 'patches': ['tornado-timeouts.patch'],
+ 'checksums': [
+ {'tornado-6.2.tar.gz': '9b630419bde84ec666bfd7ea0a4cb2a8a651c2d5cccdbdd1972a0c859dfc3c13'},
+ {'tornado-timeouts.patch': 'fe0db60604ccdcb5fc111023d1d7bffa0e315465fbe15f2ff512068c649e56f8'},
+ ],
+ }),
+ ('terminado', '0.17.1', {
+ 'checksums': ['6ccbbcd3a4f8a25a5ec04991f39a0b8db52dfcd487ea0e578d977e6752380333'],
+ }),
+ ('jupyter_client', '8.2.0', {
+ 'checksums': ['9fe233834edd0e6c0aa5f05ca2ab4bdea1842bfd2d8a932878212fc5301ddaf0'],
+ }),
+ ('backcall', '0.2.0', {
+ 'checksums': ['5cbdbf27be5e7cfadb448baf0aa95508f91f2bbc6c6437cd9cd06e2a4c215e1e'],
+ }),
+ ('executing', '1.2.0', {
+ 'checksums': ['19da64c18d2d851112f09c287f8d3dbbdf725ab0e569077efb6cdcbd3497c107'],
+ }),
+ ('asttokens', '2.2.1', {
+ 'checksums': ['4622110b2a6f30b77e1473affaa97e711bc2f07d3f10848420ff1898edbe94f3'],
+ }),
+ ('pure_eval', '0.2.2', {
+ 'checksums': ['2b45320af6dfaa1750f543d714b6d1c520a1688dec6fd24d339063ce0aaa9ac3'],
+ }),
+ ('stack_data', '0.6.2', {
+ 'checksums': ['32d2dd0376772d01b6cb9fc996f3c8b57a357089dec328ed4b6553d037eaf815'],
+ }),
+ ('comm', '0.1.2', {
+ 'checksums': ['3e2f5826578e683999b93716285b3b1f344f157bf75fa9ce0a797564e742f062'],
+ }),
+ ('ipykernel', '6.23.1', {
+ 'checksums': ['1aba0ae8453e15e9bc6b24e497ef6840114afcdb832ae597f32137fa19d42a6f'],
+ }),
+ ('prometheus_client', '0.17.0', {
+ 'checksums': ['9c3b26f1535945e85b8934fb374678d263137b78ef85f305b1156c7c881cd11b'],
+ }),
+ ('deprecation', '2.1.0', {
+ 'checksums': ['72b3bde64e5d778694b0cf68178aed03d15e15477116add3fb773e581f9518ff'],
+ }),
+ ('jupyter_packaging', '0.12.3', {
+ 'checksums': ['9d9b2b63b97ffd67a8bc5391c32a421bc415b264a32c99e4d8d8dd31daae9cf4'],
+ }),
+ ('jupyterlab_pygments', '0.2.2', {
+ 'checksums': ['7405d7fde60819d905a9fa8ce89e4cd830e318cdad22a0030f7a901da705585d'],
+ }),
+ ('jupyterlab_widgets', '1.1.4', {
+ 'checksums': ['ea6e7612725e94d0966d64c6344910686f4bf8610533cd40daeba6980659b14d'],
+ }),
+ ('ipywidgets', '7.7.3', { # >7.7.3 fails for ipyvue (issue 72)
+ 'checksums': ['b41ca84d2742e39f2a730a13ea0dd619fca62e56cfac88c8f08989fb00a54fa8'],
+ }),
+ ('argon2-cffi-bindings', '21.2.0', {
+ 'modulename': '_argon2_cffi_bindings',
+ 'checksums': ['bb89ceffa6c791807d1305ceb77dbfacc5aa499891d2c55661c6459651fc39e3'],
+ }),
+ ('argon2-cffi', '21.3.0', {
+ 'modulename': 'argon2',
+ 'checksums': ['d384164d944190a7dd7ef22c6aa3ff197da12962bd04b17f64d4e93d934dba5b'],
+ }),
+ ('notebook', '6.4.12', { # !!! > req. nbclassic
+ 'checksums': ['6268c9ec9048cff7a45405c990c29ac9ca40b0bc3ec29263d218c5e01f2b4e86'],
+ }),
+ ('widgetsnbextension', '3.6.4', {
+ 'checksums': ['ad1356c575d5add908afe886255deafb3f9b1589146a99279d1dcba5a05d16a5'],
+ }),
+ ('matplotlib-inline', '0.1.6', {
+ 'checksums': ['f887e5f10ba98e8d2b150ddcf4702c1e5f8b3a20005eb0f74bfdbd360ee6f304'],
+ }),
+ ('debugpy', '1.6.7', {
+ 'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl',
+ 'checksums': ['53f7a456bc50706a0eaabecf2d3ce44c4d5010e46dfc65b6b81a518b42866267'],
+ }),
+]
+
+modextrapaths = {'JUPYTER_PATH': 'share/jupyter'}
+
+sanity_check_paths = {
+ 'files': ['bin/ipython'],
+ 'dirs': [
+ 'lib/python%(pyshortver)s/site-packages/IPython',
+ 'share/jupyter'
+ ],
+}
+
+sanity_check_commands = [
+ "ipython -h",
+ "jupyter notebook --help",
+]
+
+sanity_pip_check = True
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/i/IPython/tornado-timeouts.patch b/Golden_Repo/i/IPython/tornado-timeouts.patch
new file mode 100644
index 0000000000000000000000000000000000000000..027206802657e142b1b16451d953075403107936
--- /dev/null
+++ b/Golden_Repo/i/IPython/tornado-timeouts.patch
@@ -0,0 +1,15 @@
+diff -Naur tornado.orig/tornado-6.1/tornado/httpclient.py tornado/tornado-6.1/tornado/httpclient.py
+--- tornado.orig/tornado-6.1/tornado/httpclient.py 2020-10-30 21:17:45.000000000 +0100
++++ tornado/tornado-6.1/tornado/httpclient.py 2022-05-01 22:01:50.923741948 +0200
+@@ -345,8 +345,8 @@
+ # Merged with the values on the request object by AsyncHTTPClient
+ # implementations.
+ _DEFAULTS = dict(
+- connect_timeout=20.0,
+- request_timeout=20.0,
++ connect_timeout=60.0,
++ request_timeout=1200.0,
+ follow_redirects=True,
+ max_redirects=5,
+ decompress_response=True,
+
diff --git a/Golden_Repo/i/IRkernel/IRkernel-1.3.2-gcccoremkl-11.3.0-2022.1.0-R-4.2.1.eb b/Golden_Repo/i/IRkernel/IRkernel-1.3.2-gcccoremkl-11.3.0-2022.1.0-R-4.2.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..aafe2b5488a32770ee486b7210e62eef928e3caa
--- /dev/null
+++ b/Golden_Repo/i/IRkernel/IRkernel-1.3.2-gcccoremkl-11.3.0-2022.1.0-R-4.2.1.eb
@@ -0,0 +1,66 @@
+easyblock = 'Bundle'
+
+name = 'IRkernel'
+version = '1.3.2'
+versionsuffix = '-R-%(rver)s'
+
+homepage = 'https://github.com/baktoft/yaps'
+description = "IRKernel"
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+
+dependencies = [
+ ('R', '4.2.1'),
+ ('ZeroMQ', '4.3.4'), # for pbdZMQ needed by IRkernel
+]
+
+exts_default_options = {
+ 'source_urls': [
+ 'https://cran.r-project.org/src/contrib/Archive/%(name)s', # package archive
+ 'https://cran.r-project.org/src/contrib/', # current version of packages
+ 'https://cran.freestatistics.org/src/contrib', # mirror alternative for current packages
+ ],
+ 'source_tmpl': '%(name)s_%(version)s.tar.gz'
+}
+
+exts_defaultclass = 'RPackage'
+exts_filter = ("R -q --no-save", "library(%(ext_name)s)")
+
+exts_list = [
+ ('repr', '1.1.6', {
+ 'checksums': ['3d2e6c9b363c1ec4811688deff7fb22093cadc9e0a333930382093d93c16673f'],
+ }),
+ ('IRdisplay', '1.1', {
+ 'checksums': ['83eb030ff91f546cb647899f8aa3f5dc9fe163a89a981696447ea49cc98e8d2b'],
+ }),
+ ('pbdZMQ', '0.3-9', {
+ 'checksums': ['d033238d0a9810581f6b40c7c75263cfc495a585653bbff98e957c37954e0fb6'],
+ }),
+ ('xmlparsedata', '1.0.5', {
+ 'checksums': ['766034ab5e9728609bd240c9954d23ca0cdb881a98a31b9d3e1c8767c7b7cbb0'],
+ }),
+ ('cyclocomp', '1.1.0', {
+ 'checksums': ['cdbf65f87bccac53c1527a2f1269ec7840820c18503a7bb854910b30b71e7e3e'],
+ }),
+ ('collections', '0.3.7', {
+ 'checksums': ['ff846ff96233a233ce7c73c2f03e87d14d69c83d97d608f01d9846a1cba57f00'],
+ }),
+ ('lintr', '3.0.2', {
+ 'checksums': ['9f6a70affea78d2092f40a7ba8961615d48b0c4ae8044ec72a1422a4342d34c9'],
+ }),
+ ('languageserver', '0.3.15', {
+ 'checksums': ['94eebc1afbaee5bb0d3a684673007299d3a5520fa398f22838b603ca78f8c100'],
+ }),
+ (name, version, {
+ 'checksums': ['e1c6d8bddc23e5039dd9c537feb371f937d60028fb753b90345698c58ae424a6'],
+ }),
+]
+
+modextrapaths = {'R_LIBS': ''}
+
+sanity_check_paths = {
+ 'files': [],
+ 'dirs': [name],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/i/ITK/ITK-5.2.1-foss-2022a.eb b/Golden_Repo/i/ITK/ITK-5.2.1-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..7b3c4dc99f3a94e29e4733fec9ff81134f360776
--- /dev/null
+++ b/Golden_Repo/i/ITK/ITK-5.2.1-foss-2022a.eb
@@ -0,0 +1,80 @@
+easyblock = 'CMakeMake'
+
+name = 'ITK'
+version = '5.2.1'
+
+homepage = 'https://itk.org'
+description = """Insight Segmentation and Registration Toolkit (ITK) provides
+ an extensive suite of software tools for registering and segmenting
+ multidimensional imaging data."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True, 'cstd': 'c++11'}
+
+github_account = 'InsightSoftwareConsortium'
+source_urls = [GITHUB_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['6022b2b64624b8bcec3333fe48d5f74ff6ebceb3bdf98258ba7d7fbbc76b99ab']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1'),
+ ('Bison', '3.8.2'),
+ ('Eigen', '3.4.0'),
+ ('pkgconf', '1.8.0'),
+ ('Perl', '5.34.1'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('expat', '2.4.8'),
+ ('HDF5', '1.12.2'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('LibTIFF', '4.3.0'),
+ ('VTK', '9.2.5'),
+ ('zlib', '1.2.12'),
+ ('SWIG', '4.0.2',),
+ ('FFTW', '3.3.10'),
+ ('double-conversion', '3.2.0'),
+ ('tbb', '2021.5.0'),
+]
+
+local_sys_deps = [
+ 'EIGEN', 'EXPAT', 'HDF5', 'JPEG', 'PNG', 'TIFF', 'ZLIB',
+ 'FFTW', 'DOUBLECONVERSION', 'SWIG',
+]
+local_sys_cmake = ['-DITK_USE_SYSTEM_%s=ON' % d for d in local_sys_deps]
+
+configopts = "-DCMAKE_VERBOSE_MAKEFILE:BOOL=ON "
+configopts += '-DBUILD_SHARED_LIBS=ON -DBUILD_TESTING=OFF '
+configopts += '-DModule_ITKReview=ON -DModule_ITKVtkGlue=ON '
+configopts += '-DITK_WRAP_PYTHON:BOOL=ON '
+configopts += "-DSWIG_EXECUTABLE=${EBROOTSWIG}/bin/swig "
+configopts += ' '.join(local_sys_cmake)
+
+configopts += "-DModule_SimpleITKFilters=ON "
+configopts += '-DITK_LEGACY_REMOVE:BOOL=OFF ' # needed by SimpleITK
+configopts += "-DITK_FORBID_DOWNLOADS=OFF " # needed by SimpleITK
+
+prebuildopts = "LC_ALL=C "
+
+preinstallopts = "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && "
+
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
+
+local_lib_names = ['ITKCommon', 'ITKIOHDF5', 'ITKIOJPEG', 'ITKIOPNG', 'ITKIOTIFF',
+ 'ITKReview', 'ITKVTK', 'ITKVtkGlue', 'itkSimpleITKFilters',
+ 'ITKFFT']
+
+sanity_check_paths = {
+ 'files': ['bin/itkTestDriver'] +
+ ['lib/lib%s-%%(version_major)s.%%(version_minor)s.%s' % (l, SHLIB_EXT) for l in local_lib_names],
+ 'dirs': ['include/ITK-%(version_major_minor)s',
+ 'lib/python%(pyshortver)s/site-packages',
+ 'share'],
+}
+
+sanity_check_commands = [('python', "-c 'import %(namelower)s'")]
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/i/ITK/ITK-5.2.1-gcccoremkl-11.3.0-2022.1.0-nompi.eb b/Golden_Repo/i/ITK/ITK-5.2.1-gcccoremkl-11.3.0-2022.1.0-nompi.eb
new file mode 100644
index 0000000000000000000000000000000000000000..ebf6dcee36dbb91972048e43703ec97926bbc031
--- /dev/null
+++ b/Golden_Repo/i/ITK/ITK-5.2.1-gcccoremkl-11.3.0-2022.1.0-nompi.eb
@@ -0,0 +1,81 @@
+easyblock = 'CMakeMake'
+
+name = 'ITK'
+version = '5.2.1'
+versionsuffix = '-nompi'
+
+homepage = 'https://itk.org'
+description = """Insight Segmentation and Registration Toolkit (ITK) provides
+ an extensive suite of software tools for registering and segmenting
+ multidimensional imaging data."""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'pic': True, 'cstd': 'c++11'}
+
+github_account = 'InsightSoftwareConsortium'
+source_urls = [GITHUB_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['6022b2b64624b8bcec3333fe48d5f74ff6ebceb3bdf98258ba7d7fbbc76b99ab']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1'),
+ ('Bison', '3.8.2'),
+ ('Eigen', '3.4.0'),
+ ('pkgconf', '1.8.0'),
+ ('Perl', '5.34.1'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('expat', '2.4.8'),
+ ('HDF5', '1.12.2', '-serial'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('LibTIFF', '4.3.0'),
+ ('VTK', '9.2.5', '-nompi'),
+ ('zlib', '1.2.12'),
+ ('SWIG', '4.0.2',),
+ ('FFTW', '3.3.10'),
+ ('double-conversion', '3.2.0'),
+ ('tbb', '2021.5.0'),
+]
+
+local_sys_deps = [
+ 'EIGEN', 'EXPAT', 'HDF5', 'JPEG', 'PNG', 'TIFF', 'ZLIB',
+ 'FFTW', 'DOUBLECONVERSION', 'SWIG',
+]
+local_sys_cmake = ['-DITK_USE_SYSTEM_%s=ON' % d for d in local_sys_deps]
+
+configopts = "-DCMAKE_VERBOSE_MAKEFILE:BOOL=ON "
+configopts += '-DBUILD_SHARED_LIBS=ON -DBUILD_TESTING=OFF '
+configopts += '-DModule_ITKReview=ON -DModule_ITKVtkGlue=ON '
+configopts += '-DITK_WRAP_PYTHON:BOOL=ON '
+configopts += "-DSWIG_EXECUTABLE=${EBROOTSWIG}/bin/swig "
+configopts += ' '.join(local_sys_cmake)
+
+configopts += "-DModule_SimpleITKFilters=ON "
+configopts += '-DITK_LEGACY_REMOVE:BOOL=OFF ' # needed by SimpleITK
+configopts += "-DITK_FORBID_DOWNLOADS=OFF " # needed by SimpleITK
+
+prebuildopts = "LC_ALL=C "
+
+preinstallopts = "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && "
+
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
+
+local_lib_names = ['ITKCommon', 'ITKIOHDF5', 'ITKIOJPEG', 'ITKIOPNG', 'ITKIOTIFF',
+ 'ITKReview', 'ITKVTK', 'ITKVtkGlue', 'itkSimpleITKFilters',
+ 'ITKFFT']
+
+sanity_check_paths = {
+ 'files': ['bin/itkTestDriver'] +
+ ['lib/lib%s-%%(version_major)s.%%(version_minor)s.%s' % (l, SHLIB_EXT) for l in local_lib_names],
+ 'dirs': ['include/ITK-%(version_major_minor)s',
+ 'lib/python%(pyshortver)s/site-packages',
+ 'share'],
+}
+
+sanity_check_commands = [('python', "-c 'import %(namelower)s'")]
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/i/ITK/ITK-5.2.1-gpsmkl-2022a.eb b/Golden_Repo/i/ITK/ITK-5.2.1-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..496993732ce4d387e1aa607390b5f13bc0c60dc4
--- /dev/null
+++ b/Golden_Repo/i/ITK/ITK-5.2.1-gpsmkl-2022a.eb
@@ -0,0 +1,80 @@
+easyblock = 'CMakeMake'
+
+name = 'ITK'
+version = '5.2.1'
+
+homepage = 'https://itk.org'
+description = """Insight Segmentation and Registration Toolkit (ITK) provides
+ an extensive suite of software tools for registering and segmenting
+ multidimensional imaging data."""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True, 'cstd': 'c++11'}
+
+github_account = 'InsightSoftwareConsortium'
+source_urls = [GITHUB_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['6022b2b64624b8bcec3333fe48d5f74ff6ebceb3bdf98258ba7d7fbbc76b99ab']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1'),
+ ('Bison', '3.8.2'),
+ ('Eigen', '3.4.0'),
+ ('pkgconf', '1.8.0'),
+ ('Perl', '5.34.1'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('expat', '2.4.8'),
+ ('HDF5', '1.12.2'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libpng', '1.6.37'),
+ ('LibTIFF', '4.3.0'),
+ ('VTK', '9.2.5'),
+ ('zlib', '1.2.12'),
+ ('SWIG', '4.0.2',),
+ ('FFTW', '3.3.10'),
+ ('double-conversion', '3.2.0'),
+ ('tbb', '2021.5.0'),
+]
+
+local_sys_deps = [
+ 'EIGEN', 'EXPAT', 'HDF5', 'JPEG', 'PNG', 'TIFF', 'ZLIB',
+ 'FFTW', 'DOUBLECONVERSION', 'SWIG',
+]
+local_sys_cmake = ['-DITK_USE_SYSTEM_%s=ON' % d for d in local_sys_deps]
+
+configopts = "-DCMAKE_VERBOSE_MAKEFILE:BOOL=ON "
+configopts += '-DBUILD_SHARED_LIBS=ON -DBUILD_TESTING=OFF '
+configopts += '-DModule_ITKReview=ON -DModule_ITKVtkGlue=ON '
+configopts += '-DITK_WRAP_PYTHON:BOOL=ON '
+configopts += "-DSWIG_EXECUTABLE=${EBROOTSWIG}/bin/swig "
+configopts += ' '.join(local_sys_cmake)
+
+configopts += "-DModule_SimpleITKFilters=ON "
+configopts += '-DITK_LEGACY_REMOVE:BOOL=OFF ' # needed by SimpleITK
+configopts += "-DITK_FORBID_DOWNLOADS=OFF " # needed by SimpleITK
+
+prebuildopts = "LC_ALL=C "
+
+preinstallopts = "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && "
+
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
+
+local_lib_names = ['ITKCommon', 'ITKIOHDF5', 'ITKIOJPEG', 'ITKIOPNG', 'ITKIOTIFF',
+ 'ITKReview', 'ITKVTK', 'ITKVtkGlue', 'itkSimpleITKFilters',
+ 'ITKFFT']
+
+sanity_check_paths = {
+ 'files': ['bin/itkTestDriver'] +
+ ['lib/lib%s-%%(version_major)s.%%(version_minor)s.%s' % (l, SHLIB_EXT) for l in local_lib_names],
+ 'dirs': ['include/ITK-%(version_major_minor)s',
+ 'lib/python%(pyshortver)s/site-packages',
+ 'share'],
+}
+
+sanity_check_commands = [('python', "-c 'import %(namelower)s'")]
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/i/imkl-FFTW/imkl-FFTW-2022.1.0-npsmpic-2022a.eb b/Golden_Repo/i/imkl-FFTW/imkl-FFTW-2022.1.0-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..093a7e942d7631852b332ee702c70abb7a4423d5
--- /dev/null
+++ b/Golden_Repo/i/imkl-FFTW/imkl-FFTW-2022.1.0-npsmpic-2022a.eb
@@ -0,0 +1,11 @@
+name = 'imkl-FFTW'
+version = '2022.1.0'
+
+homepage = 'https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html'
+description = "FFTW interfaces using Intel oneAPI Math Kernel Library"
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+
+dependencies = [('imkl', version, '', SYSTEM)]
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/i/imkl-FFTW/imkl-FFTW-2022.1.0-nvompic-2022a.eb b/Golden_Repo/i/imkl-FFTW/imkl-FFTW-2022.1.0-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..4bd00830845899876382072c84b91acfbef86e00
--- /dev/null
+++ b/Golden_Repo/i/imkl-FFTW/imkl-FFTW-2022.1.0-nvompic-2022a.eb
@@ -0,0 +1,11 @@
+name = 'imkl-FFTW'
+version = '2022.1.0'
+
+homepage = 'https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html'
+description = "FFTW interfaces using Intel oneAPI Math Kernel Library"
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+
+dependencies = [('imkl', version, '', SYSTEM)]
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/j/JUBE/JUBE-2.4.3.eb b/Golden_Repo/j/JUBE/JUBE-2.4.3.eb
new file mode 100644
index 0000000000000000000000000000000000000000..bee87a9f10dcde7f220561a3c9370a7c4d86ffca
--- /dev/null
+++ b/Golden_Repo/j/JUBE/JUBE-2.4.3.eb
@@ -0,0 +1,31 @@
+easyblock = "VersionIndependentPythonPackage"
+
+name = "JUBE"
+version = "2.4.3"
+
+homepage = "https://www.fz-juelich.de/jsc/jube"
+description = """The JUBE benchmarking environment provides a script based
+framework to easily create benchmark sets, run those sets on different
+computer systems and evaluate the results.
+"""
+
+toolchain = SYSTEM
+
+source_urls = ['https://apps.fz-juelich.de/jsc/jube/jube2/download.php?file=']
+sources = [SOURCE_TAR_GZ]
+checksums = ['5ff37495a0c8ef4ec501866217b758d8ea474e985b678af757f7906cc56c6d7e']
+
+options = {'modulename': 'jube2'}
+
+sanity_check_paths = {
+ 'files': ['bin/jube'],
+ 'dirs': [],
+}
+
+modextrapaths = {
+ 'JUBE_INCLUDE_PATH': 'share/jube/platform/slurm'
+}
+
+modluafooter = 'execute {cmd=\'eval "$(jube complete)"\',modeA={"load"}}'
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/j/Julia/Julia-1.8.5-foss-2022a.eb b/Golden_Repo/j/Julia/Julia-1.8.5-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..41916d88ea22e3221d26d2abef47c458b3769946
--- /dev/null
+++ b/Golden_Repo/j/Julia/Julia-1.8.5-foss-2022a.eb
@@ -0,0 +1,248 @@
+name = 'Julia'
+version = '1.8.5'
+
+homepage = 'https://julialang.org/'
+description = """Julia was designed from the beginning for high performance.
+Julia programs compile to efficient native code for multiple platforms via LLVM
+"""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'usempi': False, 'pic': True}
+
+source_urls = ['https://github.com/JuliaLang/julia/releases/download/v%(version)s/']
+sources = ['julia-%(version)s-full.tar.gz']
+checksums = ['35554080a4b4d3ce52ef220254306bd42ac0d88eff9eb85592a57d0663db5df2']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('git', '2.36.0', '-nodocs'),
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('GMP', '6.2.1'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ # ('OpenGL', '2022a'), # build segfaults starting with version 1.8.1
+ ('OpenSSL', '1.1', '', SYSTEM),
+]
+
+skipsteps = ['configure']
+buildopts = " USE_SYSTEM_GMP=1 USE_INTEL_MKL=1 "
+installopts = "prefix=%(installdir)s "
+
+arch_name = 'gpu'
+
+exts_defaultclass = 'JuliaPackage'
+exts_list = [
+ # General Purpose
+ ('PackageCompiler.jl', '2.1.4', {
+ 'source_tmpl': 'v%(version)s.tar.gz',
+ 'source_urls': ['https://github.com/JuliaLang/PackageCompiler.jl/archive/'],
+ 'checksums': ['2fd6f50003d995624374900e7e0220cd7cd8386a317e0070d2b4b9b9d61c5e88'],
+ }),
+ ('HTTP.jl', '1.7.4', {
+ 'source_tmpl': 'v1.7.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaWeb/HTTP.jl/archive/'],
+ 'checksums': ['95e4079f12983ad5008cca2505a5408b6f0146a9ed8f247361e090004030613d'],
+ }),
+ ('Parsers.jl', '2.5.1', {
+ 'source_tmpl': 'v2.5.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/Parsers.jl/archive/'],
+ 'checksums': ['72494acac42c7dff16e1a6ac1305f13001f3743e0021d158d097399f0567d926'],
+ }),
+ ('VersionParsing.jl', '1.3.0', {
+ 'source_tmpl': 'v1.3.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaInterop/VersionParsing.jl/archive/'],
+ 'checksums': ['f90fe419e1a40ef0eccfaaed1d1b7792d9115a059a82d0c23e3c04c944d0f8ca'],
+ }),
+ ('JSON.jl', '0.21.3', {
+ 'source_tmpl': 'v0.21.3.tar.gz',
+ 'source_urls': ['https://github.com/JuliaIO/JSON.jl/archive/'],
+ 'checksums': ['bd02a015da24b03f79d55967b29f5ceaba2477b559242576d74f02623bb1b6b1'],
+ }),
+ ('WebIO.jl', '0.8.20', {
+ 'source_tmpl': 'v0.8.20.tar.gz',
+ 'source_urls': ['https://github.com/JuliaGizmos/WebIO.jl/archive/'],
+ 'checksums': ['d8c45c0be367963539cf7bdf748d16b4f6065fa5113e353ad57872980fc56b39'],
+ }),
+ ('ProgressMeter.jl', '1.7.2', {
+ 'source_tmpl': 'v1.7.2.tar.gz',
+ 'source_urls': ['https://github.com/timholy/ProgressMeter.jl/archive/'],
+ 'checksums': ['3591ea33d0ad7576bbb7d430ba94a988274af6434fbd7f3d0dc7fc2655dc888c'],
+ }),
+ ('Conda.jl', '1.7.0', {
+ 'source_tmpl': 'v1.7.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/Conda.jl/archive/'],
+ 'checksums': ['2077b1192e1cfa206caf441d9d91b0ca83aa935db89918f1fd69cd25c2415ced'],
+ }),
+ ('PyCall.jl', '1.95.1', {
+ 'source_tmpl': 'v1.95.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/PyCall.jl/archive/'],
+ 'checksums': ['8746b3ecc54fd670e5983945bec205ff65cdb4b9e395a79f887cc28741b05e87'],
+ }),
+ ('LaTeXStrings.jl', '1.3.0', {
+ 'source_tmpl': 'v1.3.0.tar.gz',
+ 'source_urls': ['https://github.com/stevengj/LaTeXStrings.jl/archive/'],
+ 'checksums': ['f90fe419e1a40ef0eccfaaed1d1b7792d9115a059a82d0c23e3c04c944d0f8ca'],
+ }),
+ ('DocumentFormat.jl', '4.0.3', {
+ 'source_tmpl': 'v4.0.3.tar.gz',
+ 'source_urls': ['https://github.com/julia-vscode/DocumentFormat.jl/archive/'],
+ 'checksums': ['4a7131590fa07d16d8b4998ef7570f797148e7ed622a0fa431a6ca3fe52156ab'],
+ }),
+ # Data Science
+ ('CSV.jl', '0.10.9', {
+ 'source_tmpl': 'v0.10.9.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/CSV.jl/archive/'],
+ 'checksums': ['e0958f0bf04e2b32bc4040e74ce9eed1e5be3947c03f381be1003ac197304d84'],
+ }),
+ ('DataFrames.jl', '1.4.4', {
+ 'source_tmpl': 'v1.4.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/DataFrames.jl/archive/'],
+ 'checksums': ['365877a405d1ba3af23ff5258424870cce434a13b02df34c7d8a78568ef2b87a'],
+ }),
+ ('Arrow.jl', '2.4.3', {
+ 'source_tmpl': 'v2.4.3.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/Arrow.jl/archive/'],
+ 'checksums': ['d65a8c803f9ac664b3afc878f1eba2c7fe99d91601aebc3dc288784585be80a2'],
+ }),
+ ('OnlineStats.jl', '1.5.14', {
+ 'source_tmpl': 'v1.5.14.tar.gz',
+ 'source_urls': ['https://github.com/joshday/OnlineStats.jl/archive/'],
+ 'checksums': ['b1c725a3de6cfde25271753b7cc341d2f565bc6aa74ae76394f845cb0339dc42'],
+ }),
+ ('Query.jl', '1.0.0', {
+ 'source_tmpl': 'v1.0.0.tar.gz',
+ 'source_urls': ['https://github.com/queryverse/Query.jl/archive/'],
+ 'checksums': ['76c05e3ffc8f3c2ce2cd3f6824f40a107cdba6fc58c4ce42de2289132de988e0'],
+ }),
+ # Scientific Domains
+ ('GSL.jl', '1.0.1', {
+ 'source_tmpl': 'v1.0.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/GSL.jl/archive/refs/tags/'],
+ 'checksums': ['91a5acbb752610c5989b9acef126f2231f612debb7ba6d1d4625c68d2af5776e'],
+ }),
+ ('DifferentialEquations.jl', '7.6.0', {
+ 'source_tmpl': 'v7.6.0.tar.gz',
+ 'source_urls': ['https://github.com/SciML/DifferentialEquations.jl/archive/'],
+ 'checksums': ['32df0e2b2811567f5d58f5b88831e6a6c3c15b4d2f0bae6bde0a11a98b4e49d8'],
+ }),
+ ('Distributions.jl', '0.25.80', {
+ 'source_tmpl': 'v0.25.80.tar.gz',
+ 'source_urls': ['https://github.com/JuliaStats/Distributions.jl/archive/'],
+ 'checksums': ['0f457839d969dd5f8a12ba96fb3a3a728387945d98504ba3e7131178ef8e9ef7'],
+ }),
+ ('Optim.jl', '1.7.4', {
+ 'source_tmpl': 'v1.7.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaNLSolvers/Optim.jl/archive/'],
+ 'checksums': ['95e4079f12983ad5008cca2505a5408b6f0146a9ed8f247361e090004030613d'],
+ }),
+ ('IterativeSolvers.jl', '0.9.2', {
+ 'source_tmpl': 'v0.9.2.tar.gz',
+ 'source_urls': ['https://github.com/JuliaLinearAlgebra/IterativeSolvers.jl/archive/'],
+ 'checksums': ['95fbfa39aa68e989ae6bad2f51ce0fe5635ba3f3375d0ea4d9422e77ff924a9b'],
+ }),
+ ('AbstractFFTs.jl', '1.2.1', {
+ 'source_tmpl': 'v1.2.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/AbstractFFTs.jl/archive/'],
+ 'checksums': ['58abf90b037c618daeed89940c77ac129b5155b26429ac77643cc9c5db453363'],
+ }),
+ ('OrdinaryDiffEq.jl', '6.42.0', {
+ 'source_tmpl': 'v6.42.0.tar.gz',
+ 'source_urls': ['https://github.com/SciML/OrdinaryDiffEq.jl/archive/'],
+ 'checksums': ['22af73320fd7577e3e4557e10f2b7cb0f77c03556499699033c47c8f56cbe482'],
+ }),
+ ('SpecialFunctions.jl', '1.8.7', {
+ 'source_tmpl': 'v1.8.7.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/SpecialFunctions.jl/archive/'],
+ 'checksums': ['3f2ecec0506fe47cfa5e436ac510e2a82d39f74fceaeb422572cf06d90f2096a'],
+ }),
+ ('JuMP.jl', '1.7.0', {
+ 'source_tmpl': 'v1.7.0.tar.gz',
+ 'source_urls': ['https://github.com/jump-dev/JuMP.jl/archive/'],
+ 'checksums': ['2077b1192e1cfa206caf441d9d91b0ca83aa935db89918f1fd69cd25c2415ced'],
+ }),
+ # Visualization
+ ('GR.jl', '0.71.5', {
+ 'source_tmpl': 'v0.71.5.tar.gz',
+ 'source_urls': ['https://github.com/jheinen/GR.jl/archive/'],
+ 'checksums': ['d2b096241d8dfd3e16b1abcf2c0dd5664db025c1eeadf11145b9934284b112b7'],
+ }),
+ ('PlotlyJS.jl', '0.18.10', {
+ 'source_tmpl': 'v0.18.10.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/PlotlyJS.jl/archive/'],
+ 'checksums': ['b574113676080c14634118ce3a5ceda7562224039a2fd0ea3ad8bc5938700a49'],
+ }),
+ ('PyPlot.jl', '2.11.0', {
+ 'source_tmpl': 'v2.11.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/PyPlot.jl/archive/'],
+ 'checksums': ['10498f5b7bd958c5e0dae33aa2514048005e4f5b037d9a73a09cb4231259cc13'],
+ }),
+ ('Plots.jl', '1.38.4', {
+ 'source_tmpl': 'v1.38.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/Plots.jl/archive/'],
+ 'checksums': ['d37a748e531b9970d1b5e552e069f8778f22f2e0508368bbd74f76b20dc51b1e'],
+ }),
+ ('UnicodePlots.jl', '3.3.4', {
+ 'source_tmpl': 'v3.3.4.tar.gz',
+ 'source_urls': ['https://github.com/Evizero/UnicodePlots.jl/archive/'],
+ 'checksums': ['7280b26b83dd03eaee21398de40cb83674c5e42037cad75f6e821cb0322ae9fd'],
+ }),
+ ('StatsPlots.jl', '0.15.4', {
+ 'source_tmpl': 'v0.15.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/StatsPlots.jl/archive/'],
+ 'checksums': ['451076c4d352ab88c8d0010320315a2f3d26ef0cc16007c7d0eb49eaa1105777'],
+ }),
+ # MPI
+ ('MPI.jl', '0.20.8', {
+ 'mpi_path': '$EBROOTOPENMPI',
+ 'mpiexec': 'srun',
+ 'source_tmpl': 'v0.20.8.tar.gz',
+ 'source_urls': ['https://github.com/JuliaParallel/MPI.jl/archive/'],
+ 'checksums': ['f70a2710e4d1375be82f6838510980f6cb7d48caaad63ffecd2a296c39b80dba'],
+ }),
+ # CUDA
+ ('CUDA.jl', '4.0.0', {
+ 'source_tmpl': 'v4.0.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaGPU/CUDA.jl/archive/'],
+ 'checksums': ['64fa7fe158c8cd56841b7906a4f57c53dbaa225fe8688bf3087b7951854b591b'],
+ }),
+]
+
+modextrapaths = {
+ 'LD_LIBRARY_PATH': 'lib/julia',
+}
+
+modextravars = {
+ 'JULIA_MPICC': 'mpicc',
+ 'JULIA_MPIEXEC': 'srun',
+ # 'JULIA_MPIEXEC_ARGS': '',
+ 'JULIA_MPI_ABI': 'OpenMPI',
+ 'JULIA_MPI_BINARY': 'system',
+ 'JULIA_MPI_PATH': '$::env(EBROOTOPENMPI)',
+ 'JULIA_CUDA_USE_BINARYBUILDER': 'false',
+ # FYI: automaticall added by EB_Julia
+ # 'EBJULIA_STD_DEPOT_PATH': '%(installdir)s/local/share/julia:%(installdir)s/share/julia',
+ # 'EBJULIA_USER_DEPOT_PATH': '~/.julia/%(version)s/default-%(arch_name)',
+ # 'EBJULIA_ADMIN_DEPOT_PATH': '%(installdir)s/extensions',
+ # 'EBJULIA_STD_LOAD_PATH': '@stdlib',
+ # 'EBJULIA_USER_LOAD_PATH': '@:@#.#.#-default-%(arch_name)'
+ # 'EBJULIA_ADMIN_LOAD_PATH': '%(installdir)s/extensions/environments/%(version)s-default-%(arch_name)s/',
+ # 'EBEXTSLISTJULIA': '<list of extensions installed>'
+ # 'EBJULIA_ENV_NAME': '%(version)s-default-%(arch_name)s'
+ # 'JULIA_INSTALL_FOLDER': '%(installdir)s',
+ # 'JULIA_DEPOT_PATH':
+ # '~/.julia/%(version)s/default-gpu:%(installdir)s/local/share/julia:%(installdir)s/share/julia',
+ # 'JULIA_LOAD_PATH': '@:@#.#.#-default-gpu:@stdlib',
+ # 'JULIA_PROJECT': ''%(installdir)s/extensions/environments/%(version)s-default-%(arch_name)s/Project.toml',
+}
+
+sanity_check_paths = {
+ 'files': ['bin/julia', 'include/julia/julia.h', 'lib/libjulia.so'],
+ 'dirs': ['bin', 'etc', 'include', 'lib', 'share']
+}
+
+moduleclass = 'lang'
diff --git a/Golden_Repo/j/Julia/Julia-1.8.5-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/j/Julia/Julia-1.8.5-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0bc41079a8aaf8f7bb84c1f2d09e65bf3cd2fa15
--- /dev/null
+++ b/Golden_Repo/j/Julia/Julia-1.8.5-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,234 @@
+name = 'Julia'
+version = '1.8.5'
+
+homepage = 'https://julialang.org/'
+description = """Julia was designed from the beginning for high performance.
+Julia programs compile to efficient native code for multiple platforms via LLVM
+"""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'pic': True, 'verbose': True}
+
+source_urls = ['https://github.com/JuliaLang/julia/releases/download/v%(version)s/']
+sources = ['julia-%(version)s-full.tar.gz']
+checksums = ['35554080a4b4d3ce52ef220254306bd42ac0d88eff9eb85592a57d0663db5df2']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('git', '2.36.0', '-nodocs'),
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('GMP', '6.2.1'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('SciPy-bundle', '2022.05'),
+ ('matplotlib', '3.5.2'),
+ # ('OpenGL', '2022a'), # build segfaults starting with version 1.8.1
+ ('OpenSSL', '1.1', '', SYSTEM),
+]
+
+skipsteps = ['configure']
+buildopts = " USE_SYSTEM_GMP=1 USE_INTEL_MKL=1 "
+installopts = "prefix=%(installdir)s "
+
+arch_name = 'gpu'
+
+exts_defaultclass = 'JuliaPackage'
+exts_list = [
+ # General Purpose
+ ('PackageCompiler.jl', '2.1.4', {
+ 'source_tmpl': 'v%(version)s.tar.gz',
+ 'source_urls': ['https://github.com/JuliaLang/PackageCompiler.jl/archive/'],
+ 'checksums': ['2fd6f50003d995624374900e7e0220cd7cd8386a317e0070d2b4b9b9d61c5e88'],
+ }),
+ ('HTTP.jl', '1.7.4', {
+ 'source_tmpl': 'v1.7.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaWeb/HTTP.jl/archive/'],
+ 'checksums': ['95e4079f12983ad5008cca2505a5408b6f0146a9ed8f247361e090004030613d'],
+ }),
+ ('Parsers.jl', '2.5.1', {
+ 'source_tmpl': 'v2.5.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/Parsers.jl/archive/'],
+ 'checksums': ['72494acac42c7dff16e1a6ac1305f13001f3743e0021d158d097399f0567d926'],
+ }),
+ ('VersionParsing.jl', '1.3.0', {
+ 'source_tmpl': 'v1.3.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaInterop/VersionParsing.jl/archive/'],
+ 'checksums': ['f90fe419e1a40ef0eccfaaed1d1b7792d9115a059a82d0c23e3c04c944d0f8ca'],
+ }),
+ ('JSON.jl', '0.21.3', {
+ 'source_tmpl': 'v0.21.3.tar.gz',
+ 'source_urls': ['https://github.com/JuliaIO/JSON.jl/archive/'],
+ 'checksums': ['bd02a015da24b03f79d55967b29f5ceaba2477b559242576d74f02623bb1b6b1'],
+ }),
+ ('WebIO.jl', '0.8.20', {
+ 'source_tmpl': 'v0.8.20.tar.gz',
+ 'source_urls': ['https://github.com/JuliaGizmos/WebIO.jl/archive/'],
+ 'checksums': ['d8c45c0be367963539cf7bdf748d16b4f6065fa5113e353ad57872980fc56b39'],
+ }),
+ ('ProgressMeter.jl', '1.7.2', {
+ 'source_tmpl': 'v1.7.2.tar.gz',
+ 'source_urls': ['https://github.com/timholy/ProgressMeter.jl/archive/'],
+ 'checksums': ['3591ea33d0ad7576bbb7d430ba94a988274af6434fbd7f3d0dc7fc2655dc888c'],
+ }),
+ ('Conda.jl', '1.7.0', {
+ 'source_tmpl': 'v1.7.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/Conda.jl/archive/'],
+ 'checksums': ['2077b1192e1cfa206caf441d9d91b0ca83aa935db89918f1fd69cd25c2415ced'],
+ }),
+ ('PyCall.jl', '1.95.1', {
+ 'source_tmpl': 'v1.95.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/PyCall.jl/archive/'],
+ 'checksums': ['8746b3ecc54fd670e5983945bec205ff65cdb4b9e395a79f887cc28741b05e87'],
+ }),
+ ('LaTeXStrings.jl', '1.3.0', {
+ 'source_tmpl': 'v1.3.0.tar.gz',
+ 'source_urls': ['https://github.com/stevengj/LaTeXStrings.jl/archive/'],
+ 'checksums': ['f90fe419e1a40ef0eccfaaed1d1b7792d9115a059a82d0c23e3c04c944d0f8ca'],
+ }),
+ ('DocumentFormat.jl', '4.0.3', {
+ 'source_tmpl': 'v4.0.3.tar.gz',
+ 'source_urls': ['https://github.com/julia-vscode/DocumentFormat.jl/archive/'],
+ 'checksums': ['4a7131590fa07d16d8b4998ef7570f797148e7ed622a0fa431a6ca3fe52156ab'],
+ }),
+ # Data Science
+ ('CSV.jl', '0.10.9', {
+ 'source_tmpl': 'v0.10.9.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/CSV.jl/archive/'],
+ 'checksums': ['e0958f0bf04e2b32bc4040e74ce9eed1e5be3947c03f381be1003ac197304d84'],
+ }),
+ ('DataFrames.jl', '1.4.4', {
+ 'source_tmpl': 'v1.4.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/DataFrames.jl/archive/'],
+ 'checksums': ['365877a405d1ba3af23ff5258424870cce434a13b02df34c7d8a78568ef2b87a'],
+ }),
+ ('Arrow.jl', '2.4.3', {
+ 'source_tmpl': 'v2.4.3.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/Arrow.jl/archive/'],
+ 'checksums': ['d65a8c803f9ac664b3afc878f1eba2c7fe99d91601aebc3dc288784585be80a2'],
+ }),
+ ('OnlineStats.jl', '1.5.14', {
+ 'source_tmpl': 'v1.5.14.tar.gz',
+ 'source_urls': ['https://github.com/joshday/OnlineStats.jl/archive/'],
+ 'checksums': ['b1c725a3de6cfde25271753b7cc341d2f565bc6aa74ae76394f845cb0339dc42'],
+ }),
+ ('Query.jl', '1.0.0', {
+ 'source_tmpl': 'v1.0.0.tar.gz',
+ 'source_urls': ['https://github.com/queryverse/Query.jl/archive/'],
+ 'checksums': ['76c05e3ffc8f3c2ce2cd3f6824f40a107cdba6fc58c4ce42de2289132de988e0'],
+ }),
+ # Scientific Domains
+ ('GSL.jl', '1.0.1', {
+ 'source_tmpl': 'v1.0.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/GSL.jl/archive/refs/tags/'],
+ 'checksums': ['91a5acbb752610c5989b9acef126f2231f612debb7ba6d1d4625c68d2af5776e'],
+ }),
+ ('DifferentialEquations.jl', '7.6.0', {
+ 'source_tmpl': 'v7.6.0.tar.gz',
+ 'source_urls': ['https://github.com/SciML/DifferentialEquations.jl/archive/'],
+ 'checksums': ['32df0e2b2811567f5d58f5b88831e6a6c3c15b4d2f0bae6bde0a11a98b4e49d8'],
+ }),
+ ('Distributions.jl', '0.25.80', {
+ 'source_tmpl': 'v0.25.80.tar.gz',
+ 'source_urls': ['https://github.com/JuliaStats/Distributions.jl/archive/'],
+ 'checksums': ['0f457839d969dd5f8a12ba96fb3a3a728387945d98504ba3e7131178ef8e9ef7'],
+ }),
+ ('Optim.jl', '1.7.4', {
+ 'source_tmpl': 'v1.7.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaNLSolvers/Optim.jl/archive/'],
+ 'checksums': ['95e4079f12983ad5008cca2505a5408b6f0146a9ed8f247361e090004030613d'],
+ }),
+ ('IterativeSolvers.jl', '0.9.2', {
+ 'source_tmpl': 'v0.9.2.tar.gz',
+ 'source_urls': ['https://github.com/JuliaLinearAlgebra/IterativeSolvers.jl/archive/'],
+ 'checksums': ['95fbfa39aa68e989ae6bad2f51ce0fe5635ba3f3375d0ea4d9422e77ff924a9b'],
+ }),
+ ('AbstractFFTs.jl', '1.2.1', {
+ 'source_tmpl': 'v1.2.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/AbstractFFTs.jl/archive/'],
+ 'checksums': ['58abf90b037c618daeed89940c77ac129b5155b26429ac77643cc9c5db453363'],
+ }),
+ ('OrdinaryDiffEq.jl', '6.42.0', {
+ 'source_tmpl': 'v6.42.0.tar.gz',
+ 'source_urls': ['https://github.com/SciML/OrdinaryDiffEq.jl/archive/'],
+ 'checksums': ['22af73320fd7577e3e4557e10f2b7cb0f77c03556499699033c47c8f56cbe482'],
+ }),
+ ('SpecialFunctions.jl', '1.8.7', {
+ 'source_tmpl': 'v1.8.7.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/SpecialFunctions.jl/archive/'],
+ 'checksums': ['3f2ecec0506fe47cfa5e436ac510e2a82d39f74fceaeb422572cf06d90f2096a'],
+ }),
+ ('JuMP.jl', '1.7.0', {
+ 'source_tmpl': 'v1.7.0.tar.gz',
+ 'source_urls': ['https://github.com/jump-dev/JuMP.jl/archive/'],
+ 'checksums': ['2077b1192e1cfa206caf441d9d91b0ca83aa935db89918f1fd69cd25c2415ced'],
+ }),
+ # Visualization
+ ('GR.jl', '0.71.5', {
+ 'source_tmpl': 'v0.71.5.tar.gz',
+ 'source_urls': ['https://github.com/jheinen/GR.jl/archive/'],
+ 'checksums': ['d2b096241d8dfd3e16b1abcf2c0dd5664db025c1eeadf11145b9934284b112b7'],
+ }),
+ ('PlotlyJS.jl', '0.18.10', {
+ 'source_tmpl': 'v0.18.10.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/PlotlyJS.jl/archive/'],
+ 'checksums': ['b574113676080c14634118ce3a5ceda7562224039a2fd0ea3ad8bc5938700a49'],
+ }),
+ ('PyPlot.jl', '2.11.0', {
+ 'source_tmpl': 'v2.11.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/PyPlot.jl/archive/'],
+ 'checksums': ['10498f5b7bd958c5e0dae33aa2514048005e4f5b037d9a73a09cb4231259cc13'],
+ }),
+ ('Plots.jl', '1.38.4', {
+ 'source_tmpl': 'v1.38.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/Plots.jl/archive/'],
+ 'checksums': ['d37a748e531b9970d1b5e552e069f8778f22f2e0508368bbd74f76b20dc51b1e'],
+ }),
+ ('UnicodePlots.jl', '3.3.4', {
+ 'source_tmpl': 'v3.3.4.tar.gz',
+ 'source_urls': ['https://github.com/Evizero/UnicodePlots.jl/archive/'],
+ 'checksums': ['7280b26b83dd03eaee21398de40cb83674c5e42037cad75f6e821cb0322ae9fd'],
+ }),
+ ('StatsPlots.jl', '0.15.4', {
+ 'source_tmpl': 'v0.15.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/StatsPlots.jl/archive/'],
+ 'checksums': ['451076c4d352ab88c8d0010320315a2f3d26ef0cc16007c7d0eb49eaa1105777'],
+ }),
+ # CUDA
+ ('CUDA.jl', '4.0.0', {
+ 'source_tmpl': 'v4.0.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaGPU/CUDA.jl/archive/'],
+ 'checksums': ['64fa7fe158c8cd56841b7906a4f57c53dbaa225fe8688bf3087b7951854b591b'],
+ }),
+]
+
+modextrapaths = {
+ 'LD_LIBRARY_PATH': 'lib/julia',
+}
+
+modextravars = {
+ 'JULIA_CUDA_USE_BINARYBUILDER': 'false',
+ # FYI: automatically added by EB_Julia
+ # 'EBJULIA_STD_DEPOT_PATH': '%(installdir)s/local/share/julia:%(installdir)s/share/julia',
+ # 'EBJULIA_USER_DEPOT_PATH': '~/.julia/%(version)s/default-%(arch_name)',
+ # 'EBJULIA_ADMIN_DEPOT_PATH': '%(installdir)s/extensions',
+ # 'EBJULIA_STD_LOAD_PATH': '@stdlib',
+ # 'EBJULIA_USER_LOAD_PATH': '@:@#.#.#-default-%(arch_name)'
+ # 'EBJULIA_ADMIN_LOAD_PATH': '%(installdir)s/extensions/environments/%(version)s-default-%(arch_name)s/',
+ # 'EBEXTSLISTJULIA': '<list of extensions installed>'
+ # 'EBJULIA_ENV_NAME': '%(version)s-default-%(arch_name)s'
+ # 'JULIA_INSTALL_FOLDER': '%(installdir)s',
+ # 'JULIA_DEPOT_PATH':
+ # '~/.julia/%(version)s/default-gpu:%(installdir)s/local/share/julia:%(installdir)s/share/julia',
+ # 'JULIA_LOAD_PATH': '@:@#.#.#-default-gpu:@stdlib',
+ # 'JULIA_PROJECT': ''%(installdir)s/extensions/environments/%(version)s-default-%(arch_name)s/Project.toml',
+}
+
+sanity_check_paths = {
+ 'files': ['bin/julia', 'include/julia/julia.h', 'lib/libjulia.so'],
+ 'dirs': ['bin', 'etc', 'include', 'lib', 'share']
+}
+
+moduleclass = 'lang'
diff --git a/Golden_Repo/j/Julia/Julia-1.8.5-gpsmkl-2022a.eb b/Golden_Repo/j/Julia/Julia-1.8.5-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6f3a0f0b60af745c38f459f34e5fc46f8016d56d
--- /dev/null
+++ b/Golden_Repo/j/Julia/Julia-1.8.5-gpsmkl-2022a.eb
@@ -0,0 +1,248 @@
+name = 'Julia'
+version = '1.8.5'
+
+homepage = 'https://julialang.org/'
+description = """Julia was designed from the beginning for high performance.
+Julia programs compile to efficient native code for multiple platforms via LLVM
+"""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'usempi': False, 'pic': True}
+
+source_urls = ['https://github.com/JuliaLang/julia/releases/download/v%(version)s/']
+sources = ['julia-%(version)s-full.tar.gz']
+checksums = ['35554080a4b4d3ce52ef220254306bd42ac0d88eff9eb85592a57d0663db5df2']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('git', '2.36.0', '-nodocs'),
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('GMP', '6.2.1'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ # ('OpenGL', '2022a'), # build segfaults starting with version 1.8.1
+ ('OpenSSL', '1.1', '', SYSTEM),
+]
+
+skipsteps = ['configure']
+buildopts = " USE_SYSTEM_GMP=1 USE_INTEL_MKL=1 "
+installopts = "prefix=%(installdir)s "
+
+arch_name = 'gpu'
+
+exts_defaultclass = 'JuliaPackage'
+exts_list = [
+ # General Purpose
+ ('PackageCompiler.jl', '2.1.4', {
+ 'source_tmpl': 'v%(version)s.tar.gz',
+ 'source_urls': ['https://github.com/JuliaLang/PackageCompiler.jl/archive/'],
+ 'checksums': ['2fd6f50003d995624374900e7e0220cd7cd8386a317e0070d2b4b9b9d61c5e88'],
+ }),
+ ('HTTP.jl', '1.7.4', {
+ 'source_tmpl': 'v1.7.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaWeb/HTTP.jl/archive/'],
+ 'checksums': ['95e4079f12983ad5008cca2505a5408b6f0146a9ed8f247361e090004030613d'],
+ }),
+ ('Parsers.jl', '2.5.1', {
+ 'source_tmpl': 'v2.5.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/Parsers.jl/archive/'],
+ 'checksums': ['72494acac42c7dff16e1a6ac1305f13001f3743e0021d158d097399f0567d926'],
+ }),
+ ('VersionParsing.jl', '1.3.0', {
+ 'source_tmpl': 'v1.3.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaInterop/VersionParsing.jl/archive/'],
+ 'checksums': ['f90fe419e1a40ef0eccfaaed1d1b7792d9115a059a82d0c23e3c04c944d0f8ca'],
+ }),
+ ('JSON.jl', '0.21.3', {
+ 'source_tmpl': 'v0.21.3.tar.gz',
+ 'source_urls': ['https://github.com/JuliaIO/JSON.jl/archive/'],
+ 'checksums': ['bd02a015da24b03f79d55967b29f5ceaba2477b559242576d74f02623bb1b6b1'],
+ }),
+ ('WebIO.jl', '0.8.20', {
+ 'source_tmpl': 'v0.8.20.tar.gz',
+ 'source_urls': ['https://github.com/JuliaGizmos/WebIO.jl/archive/'],
+ 'checksums': ['d8c45c0be367963539cf7bdf748d16b4f6065fa5113e353ad57872980fc56b39'],
+ }),
+ ('ProgressMeter.jl', '1.7.2', {
+ 'source_tmpl': 'v1.7.2.tar.gz',
+ 'source_urls': ['https://github.com/timholy/ProgressMeter.jl/archive/'],
+ 'checksums': ['3591ea33d0ad7576bbb7d430ba94a988274af6434fbd7f3d0dc7fc2655dc888c'],
+ }),
+ ('Conda.jl', '1.7.0', {
+ 'source_tmpl': 'v1.7.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/Conda.jl/archive/'],
+ 'checksums': ['2077b1192e1cfa206caf441d9d91b0ca83aa935db89918f1fd69cd25c2415ced'],
+ }),
+ ('PyCall.jl', '1.95.1', {
+ 'source_tmpl': 'v1.95.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/PyCall.jl/archive/'],
+ 'checksums': ['8746b3ecc54fd670e5983945bec205ff65cdb4b9e395a79f887cc28741b05e87'],
+ }),
+ ('LaTeXStrings.jl', '1.3.0', {
+ 'source_tmpl': 'v1.3.0.tar.gz',
+ 'source_urls': ['https://github.com/stevengj/LaTeXStrings.jl/archive/'],
+ 'checksums': ['f90fe419e1a40ef0eccfaaed1d1b7792d9115a059a82d0c23e3c04c944d0f8ca'],
+ }),
+ ('DocumentFormat.jl', '4.0.3', {
+ 'source_tmpl': 'v4.0.3.tar.gz',
+ 'source_urls': ['https://github.com/julia-vscode/DocumentFormat.jl/archive/'],
+ 'checksums': ['4a7131590fa07d16d8b4998ef7570f797148e7ed622a0fa431a6ca3fe52156ab'],
+ }),
+ # Data Science
+ ('CSV.jl', '0.10.9', {
+ 'source_tmpl': 'v0.10.9.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/CSV.jl/archive/'],
+ 'checksums': ['e0958f0bf04e2b32bc4040e74ce9eed1e5be3947c03f381be1003ac197304d84'],
+ }),
+ ('DataFrames.jl', '1.4.4', {
+ 'source_tmpl': 'v1.4.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/DataFrames.jl/archive/'],
+ 'checksums': ['365877a405d1ba3af23ff5258424870cce434a13b02df34c7d8a78568ef2b87a'],
+ }),
+ ('Arrow.jl', '2.4.3', {
+ 'source_tmpl': 'v2.4.3.tar.gz',
+ 'source_urls': ['https://github.com/JuliaData/Arrow.jl/archive/'],
+ 'checksums': ['d65a8c803f9ac664b3afc878f1eba2c7fe99d91601aebc3dc288784585be80a2'],
+ }),
+ ('OnlineStats.jl', '1.5.14', {
+ 'source_tmpl': 'v1.5.14.tar.gz',
+ 'source_urls': ['https://github.com/joshday/OnlineStats.jl/archive/'],
+ 'checksums': ['b1c725a3de6cfde25271753b7cc341d2f565bc6aa74ae76394f845cb0339dc42'],
+ }),
+ ('Query.jl', '1.0.0', {
+ 'source_tmpl': 'v1.0.0.tar.gz',
+ 'source_urls': ['https://github.com/queryverse/Query.jl/archive/'],
+ 'checksums': ['76c05e3ffc8f3c2ce2cd3f6824f40a107cdba6fc58c4ce42de2289132de988e0'],
+ }),
+ # Scientific Domains
+ ('GSL.jl', '1.0.1', {
+ 'source_tmpl': 'v1.0.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/GSL.jl/archive/refs/tags/'],
+ 'checksums': ['91a5acbb752610c5989b9acef126f2231f612debb7ba6d1d4625c68d2af5776e'],
+ }),
+ ('DifferentialEquations.jl', '7.6.0', {
+ 'source_tmpl': 'v7.6.0.tar.gz',
+ 'source_urls': ['https://github.com/SciML/DifferentialEquations.jl/archive/'],
+ 'checksums': ['32df0e2b2811567f5d58f5b88831e6a6c3c15b4d2f0bae6bde0a11a98b4e49d8'],
+ }),
+ ('Distributions.jl', '0.25.80', {
+ 'source_tmpl': 'v0.25.80.tar.gz',
+ 'source_urls': ['https://github.com/JuliaStats/Distributions.jl/archive/'],
+ 'checksums': ['0f457839d969dd5f8a12ba96fb3a3a728387945d98504ba3e7131178ef8e9ef7'],
+ }),
+ ('Optim.jl', '1.7.4', {
+ 'source_tmpl': 'v1.7.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaNLSolvers/Optim.jl/archive/'],
+ 'checksums': ['95e4079f12983ad5008cca2505a5408b6f0146a9ed8f247361e090004030613d'],
+ }),
+ ('IterativeSolvers.jl', '0.9.2', {
+ 'source_tmpl': 'v0.9.2.tar.gz',
+ 'source_urls': ['https://github.com/JuliaLinearAlgebra/IterativeSolvers.jl/archive/'],
+ 'checksums': ['95fbfa39aa68e989ae6bad2f51ce0fe5635ba3f3375d0ea4d9422e77ff924a9b'],
+ }),
+ ('AbstractFFTs.jl', '1.2.1', {
+ 'source_tmpl': 'v1.2.1.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/AbstractFFTs.jl/archive/'],
+ 'checksums': ['58abf90b037c618daeed89940c77ac129b5155b26429ac77643cc9c5db453363'],
+ }),
+ ('OrdinaryDiffEq.jl', '6.42.0', {
+ 'source_tmpl': 'v6.42.0.tar.gz',
+ 'source_urls': ['https://github.com/SciML/OrdinaryDiffEq.jl/archive/'],
+ 'checksums': ['22af73320fd7577e3e4557e10f2b7cb0f77c03556499699033c47c8f56cbe482'],
+ }),
+ ('SpecialFunctions.jl', '1.8.7', {
+ 'source_tmpl': 'v1.8.7.tar.gz',
+ 'source_urls': ['https://github.com/JuliaMath/SpecialFunctions.jl/archive/'],
+ 'checksums': ['3f2ecec0506fe47cfa5e436ac510e2a82d39f74fceaeb422572cf06d90f2096a'],
+ }),
+ ('JuMP.jl', '1.7.0', {
+ 'source_tmpl': 'v1.7.0.tar.gz',
+ 'source_urls': ['https://github.com/jump-dev/JuMP.jl/archive/'],
+ 'checksums': ['2077b1192e1cfa206caf441d9d91b0ca83aa935db89918f1fd69cd25c2415ced'],
+ }),
+ # Visualization
+ ('GR.jl', '0.71.5', {
+ 'source_tmpl': 'v0.71.5.tar.gz',
+ 'source_urls': ['https://github.com/jheinen/GR.jl/archive/'],
+ 'checksums': ['d2b096241d8dfd3e16b1abcf2c0dd5664db025c1eeadf11145b9934284b112b7'],
+ }),
+ ('PlotlyJS.jl', '0.18.10', {
+ 'source_tmpl': 'v0.18.10.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/PlotlyJS.jl/archive/'],
+ 'checksums': ['b574113676080c14634118ce3a5ceda7562224039a2fd0ea3ad8bc5938700a49'],
+ }),
+ ('PyPlot.jl', '2.11.0', {
+ 'source_tmpl': 'v2.11.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPy/PyPlot.jl/archive/'],
+ 'checksums': ['10498f5b7bd958c5e0dae33aa2514048005e4f5b037d9a73a09cb4231259cc13'],
+ }),
+ ('Plots.jl', '1.38.4', {
+ 'source_tmpl': 'v1.38.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/Plots.jl/archive/'],
+ 'checksums': ['d37a748e531b9970d1b5e552e069f8778f22f2e0508368bbd74f76b20dc51b1e'],
+ }),
+ ('UnicodePlots.jl', '3.3.4', {
+ 'source_tmpl': 'v3.3.4.tar.gz',
+ 'source_urls': ['https://github.com/Evizero/UnicodePlots.jl/archive/'],
+ 'checksums': ['7280b26b83dd03eaee21398de40cb83674c5e42037cad75f6e821cb0322ae9fd'],
+ }),
+ ('StatsPlots.jl', '0.15.4', {
+ 'source_tmpl': 'v0.15.4.tar.gz',
+ 'source_urls': ['https://github.com/JuliaPlots/StatsPlots.jl/archive/'],
+ 'checksums': ['451076c4d352ab88c8d0010320315a2f3d26ef0cc16007c7d0eb49eaa1105777'],
+ }),
+ # MPI
+ ('MPI.jl', '0.20.8', {
+ 'mpi_path': '$EBROOTOPENMPI',
+ 'mpiexec': 'srun',
+ 'source_tmpl': 'v0.20.8.tar.gz',
+ 'source_urls': ['https://github.com/JuliaParallel/MPI.jl/archive/'],
+ 'checksums': ['f70a2710e4d1375be82f6838510980f6cb7d48caaad63ffecd2a296c39b80dba'],
+ }),
+ # CUDA
+ ('CUDA.jl', '4.0.0', {
+ 'source_tmpl': 'v4.0.0.tar.gz',
+ 'source_urls': ['https://github.com/JuliaGPU/CUDA.jl/archive/'],
+ 'checksums': ['64fa7fe158c8cd56841b7906a4f57c53dbaa225fe8688bf3087b7951854b591b'],
+ }),
+]
+
+modextrapaths = {
+ 'LD_LIBRARY_PATH': 'lib/julia',
+}
+
+modextravars = {
+ 'JULIA_MPICC': 'mpicc',
+ 'JULIA_MPIEXEC': 'srun',
+ # 'JULIA_MPIEXEC_ARGS': '',
+ 'JULIA_MPI_ABI': 'OpenMPI',
+ 'JULIA_MPI_BINARY': 'system',
+ 'JULIA_MPI_PATH': '$::env(EBROOTOPENMPI)',
+ 'JULIA_CUDA_USE_BINARYBUILDER': 'false',
+ # FYI: automaticall added by EB_Julia
+ # 'EBJULIA_STD_DEPOT_PATH': '%(installdir)s/local/share/julia:%(installdir)s/share/julia',
+ # 'EBJULIA_USER_DEPOT_PATH': '~/.julia/%(version)s/default-%(arch_name)',
+ # 'EBJULIA_ADMIN_DEPOT_PATH': '%(installdir)s/extensions',
+ # 'EBJULIA_STD_LOAD_PATH': '@stdlib',
+ # 'EBJULIA_USER_LOAD_PATH': '@:@#.#.#-default-%(arch_name)'
+ # 'EBJULIA_ADMIN_LOAD_PATH': '%(installdir)s/extensions/environments/%(version)s-default-%(arch_name)s/',
+ # 'EBEXTSLISTJULIA': '<list of extensions installed>'
+ # 'EBJULIA_ENV_NAME': '%(version)s-default-%(arch_name)s'
+ # 'JULIA_INSTALL_FOLDER': '%(installdir)s',
+ # 'JULIA_DEPOT_PATH':
+ # '~/.julia/%(version)s/default-gpu:%(installdir)s/local/share/julia:%(installdir)s/share/julia',
+ # 'JULIA_LOAD_PATH': '@:@#.#.#-default-gpu:@stdlib',
+ # 'JULIA_PROJECT': ''%(installdir)s/extensions/environments/%(version)s-default-%(arch_name)s/Project.toml',
+}
+
+sanity_check_paths = {
+ 'files': ['bin/julia', 'include/julia/julia.h', 'lib/libjulia.so'],
+ 'dirs': ['bin', 'etc', 'include', 'lib', 'share']
+}
+
+moduleclass = 'lang'
diff --git a/Golden_Repo/l/libcdi/libcdi-2.1.1-foss-2022a.eb b/Golden_Repo/l/libcdi/libcdi-2.1.1-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1af6ec0c6dddf47e1c6b418489f24e772ef23c8b
--- /dev/null
+++ b/Golden_Repo/l/libcdi/libcdi-2.1.1-foss-2022a.eb
@@ -0,0 +1,43 @@
+easyblock = 'ConfigureMake'
+
+name = 'libcdi'
+version = '2.1.1'
+
+homepage = 'https://gitlab.dkrz.de/mpim-sw/libcdi'
+description = """
+CDI is a C and Fortran Interface to access Climate model Data.
+Supported data formats are GRIB, netCDF, SERVICE, EXTRA and IEG.
+"""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+source_urls = ['https://gitlab.dkrz.de/mpim-sw/libcdi/-/archive/cdi-%(version)s/']
+sources = ['libcdi-cdi-%(version)s.tar.gz']
+checksums = [
+ 'ba8ce82bfce159f072db027233a566f330709d750c7e4e2c275dd33e24d0f17c', # v2.1.1.tar.gz
+]
+start_dir = 'libcdi-cdi-%(version)s'
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('Autoconf', '2.71'),
+]
+
+dependencies = [
+ ('ecCodes', '2.27.0'),
+ ('netCDF', '4.9.0'),
+]
+
+preconfigopts = "./autogen.sh && "
+
+configopts = "--with-eccodes=yes --with-grib_api=yes --disable-cgribex "
+configopts += "--with-netcdf=$EBROOTNETCDF "
+
+modextravars = {'CDI_DIR': '%(installdir)s/lib/cmake/cdi/'}
+
+sanity_check_paths = {
+ 'files': ['include/cdi.h', 'lib/libcdi.%s' % SHLIB_EXT],
+ 'dirs': [],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/l/libcdi/libcdi-2.1.1-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/l/libcdi/libcdi-2.1.1-gcccoremkl-11.3.0-2022.1.0-serial.eb
similarity index 97%
rename from Golden_Repo/l/libcdi/libcdi-2.1.1-gcccoremkl-11.3.0-2022.1.0.eb
rename to Golden_Repo/l/libcdi/libcdi-2.1.1-gcccoremkl-11.3.0-2022.1.0-serial.eb
index fa05da76513ee5d7133e281752848c4861654e6d..d3f6baab3767bf4813c1cea1560f82eb8e6dd855 100644
--- a/Golden_Repo/l/libcdi/libcdi-2.1.1-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/l/libcdi/libcdi-2.1.1-gcccoremkl-11.3.0-2022.1.0-serial.eb
@@ -2,6 +2,7 @@ easyblock = 'ConfigureMake'
name = 'libcdi'
version = '2.1.1'
+versionsuffix = '-serial'
homepage = 'https://gitlab.dkrz.de/mpim-sw/libcdi'
description = """
diff --git a/Golden_Repo/l/libcdi/libcdi-2.1.1-gpsmkl-2022a.eb b/Golden_Repo/l/libcdi/libcdi-2.1.1-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8d2d8233c519cf38a465095fcb40466d893d4381
--- /dev/null
+++ b/Golden_Repo/l/libcdi/libcdi-2.1.1-gpsmkl-2022a.eb
@@ -0,0 +1,43 @@
+easyblock = 'ConfigureMake'
+
+name = 'libcdi'
+version = '2.1.1'
+
+homepage = 'https://gitlab.dkrz.de/mpim-sw/libcdi'
+description = """
+CDI is a C and Fortran Interface to access Climate model Data.
+Supported data formats are GRIB, netCDF, SERVICE, EXTRA and IEG.
+"""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+
+source_urls = ['https://gitlab.dkrz.de/mpim-sw/libcdi/-/archive/cdi-%(version)s/']
+sources = ['libcdi-cdi-%(version)s.tar.gz']
+checksums = [
+ 'ba8ce82bfce159f072db027233a566f330709d750c7e4e2c275dd33e24d0f17c', # v2.1.1.tar.gz
+]
+start_dir = 'libcdi-cdi-%(version)s'
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('Autoconf', '2.71'),
+]
+
+dependencies = [
+ ('ecCodes', '2.27.0'),
+ ('netCDF', '4.9.0'),
+]
+
+preconfigopts = "./autogen.sh && "
+
+configopts = "--with-eccodes=yes --with-grib_api=yes --disable-cgribex "
+configopts += "--with-netcdf=$EBROOTNETCDF "
+
+modextravars = {'CDI_DIR': '%(installdir)s/lib/cmake/cdi/'}
+
+sanity_check_paths = {
+ 'files': ['include/cdi.h', 'lib/libcdi.%s' % SHLIB_EXT],
+ 'dirs': [],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/l/libspng/libspng-0.7.1-GCCcore-11.3.0.eb b/Golden_Repo/l/libspng/libspng-0.7.3-GCCcore-11.3.0.eb
similarity index 100%
rename from Golden_Repo/l/libspng/libspng-0.7.1-GCCcore-11.3.0.eb
rename to Golden_Repo/l/libspng/libspng-0.7.3-GCCcore-11.3.0.eb
diff --git a/Golden_Repo/m/METIS/METIS-5.1.0-intel-compilers-2022.1.0.eb b/Golden_Repo/m/METIS/METIS-5.1.0-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..49ea124c5874d1cb0a512e5e673145b872abe274
--- /dev/null
+++ b/Golden_Repo/m/METIS/METIS-5.1.0-intel-compilers-2022.1.0.eb
@@ -0,0 +1,26 @@
+name = 'METIS'
+version = '5.1.0'
+
+homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/metis/overview'
+description = """METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes,
+and producing fill reducing orderings for sparse matrices.
+The algorithms implemented in METIS are based on the multilevel recursive-bisection,
+multilevel k-way, and multi-constraint partitioning schemes."""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+toolchainopts = {'optarch': True, 'pic': True}
+
+source_urls = ['https://src.fedoraproject.org/repo/pkgs/metis/metis-5.1.0.tar.gz/5465e67079419a69e0116de24fce58fe']
+sources = [SOURCELOWER_TAR_GZ]
+patches = ['METIS-5.1.0-use-doubles.patch']
+checksums = [
+ {'metis-5.1.0.tar.gz': '76faebe03f6c963127dbb73c13eab58c9a3faeae48779f049066a21c087c5db2'},
+ {'METIS-5.1.0-use-doubles.patch': '8e79f5970c0fb36394dd6338dd3160eb346dc00e38c37ac90303e1ee5eb4c53f'},
+]
+
+# we use 32bit for indices and 64bit for content
+builddependencies = [('CMake', '3.23.1')]
+
+configopts = ['', 'shared=1']
+
+moduleclass = 'math'
diff --git a/Golden_Repo/m/MPB/MPB-1.11.1-intel-para-2022a.eb b/Golden_Repo/m/MPB/MPB-1.11.1-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d45564785319c0f2d6ab6907c83a5bd90e955bda
--- /dev/null
+++ b/Golden_Repo/m/MPB/MPB-1.11.1-intel-para-2022a.eb
@@ -0,0 +1,53 @@
+easyblock = 'ConfigureMake'
+
+name = 'MPB'
+version = '1.11.1'
+
+homepage = 'https://mpb.readthedocs.io/en/latest/'
+description = """MPB is a free and open-source software package for computing
+ the band structures, or dispersion relations, and electromagnetic
+ modes of periodic dielectric structures, on both serial
+ and parallel computers. MPB is an acronym for MIT Photonic Bands."""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+
+toolchainopts = {'optarch': True, 'usempi': True, 'pic': True}
+
+source_urls = ['https://github.com/NanoComp/mpb/releases/download/v%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['dc55b081c56079727dac92d309f8e4ea84ca6eea9122ec24b7955f8c258608e1']
+
+builddependencies = [
+ ('Autotools', '20220317'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('HDF5', '1.12.2'),
+ ('libctl', '4.5.1'),
+ ('FFTW', '3.3.10'),
+ ('GSL', '2.7'),
+ ('Guile', '3.0.8'),
+ ('libreadline', '8.1.2'),
+]
+
+local_common_configopts = "--with-pic --with-blas=mkl_em64t --with-lapack=mkl_em64t "
+local_common_configopts += "--with-libctl=$EBROOTLIBCTL/share/libctl --enable-shared "
+
+configopts = [
+ local_common_configopts + " ",
+ local_common_configopts + "--with-hermitian-eps --with-inv-symmetry ",
+ local_common_configopts +
+ "--with-hermitian-eps --with-mpi CC=mpicc CXX=mpic++ F77=mpif90 MPIRUN=srun ",
+ local_common_configopts +
+ "--with-hermitian-eps --with-mpi --with-inv-symmetry CC=mpicc CXX=mpic++ F77=mpif90 MPIRUN=srun ",
+]
+
+sanity_check_paths = {
+ 'files': ['bin/mpb%s' % x for x in ['', '-data', 'i', 'i-data', 'i-mpi', 'i-split', '-mpi', '-split']] +
+ ['lib/libmpb.a', 'lib/libmpbi_mpi.a', 'lib/libmpbi.a', 'lib/libmpb_mpi.a', 'lib/libmpb.%s' % SHLIB_EXT,
+ 'lib/libmpbi_mpi.%s' % SHLIB_EXT, 'lib/libmpbi.%s' % SHLIB_EXT, 'lib/libmpb_mpi.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+
+moduleclass = 'phys'
diff --git a/Golden_Repo/m/MUMPS/MUMPS-5.5.1-gpsmkl-2022a-metis.eb b/Golden_Repo/m/MUMPS/MUMPS-5.5.1-gpsmkl-2022a-metis.eb
new file mode 100644
index 0000000000000000000000000000000000000000..88b28ff1037ba0670dc9bef55fe9a63ff35924c2
--- /dev/null
+++ b/Golden_Repo/m/MUMPS/MUMPS-5.5.1-gpsmkl-2022a-metis.eb
@@ -0,0 +1,35 @@
+name = 'MUMPS'
+version = '5.5.1'
+versionsuffix = '-metis'
+
+homepage = 'https://graal.ens-lyon.fr/MUMPS/'
+description = "A parallel sparse direct solver"
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['https://graal.ens-lyon.fr/MUMPS/']
+sources = ['%(name)s_%(version)s.tar.gz']
+patches = [
+ '%(name)s-%(version)s_shared-pord.patch', # builds the shared libs of PORD
+ '%(name)s-%(version)s_shared-mumps.patch', # builds shared libs of MUMPS
+]
+checksums = [
+ {'MUMPS_5.5.1.tar.gz': '1abff294fa47ee4cfd50dfd5c595942b72ebfcedce08142a75a99ab35014fa15'},
+ {'MUMPS-5.5.1_shared-pord.patch': '2f32d928fe21ab918920eaf26e3112e3185f85bb22a4ab494191849af30c4b6e'},
+ {'MUMPS-5.5.1_shared-mumps.patch': '746b12844120a352902a4420b36dc5babd68d4beaa98263826ef4a7893e14504'},
+]
+
+dependencies = [
+ ('SCOTCH', '7.0.1'),
+ ('METIS', '5.1.0'),
+]
+
+parallel = 1
+
+# fix 'Type mismatch between actual argument' errors with GCC 10.x
+prebuildopts = 'export FFLAGS="$FFLAGS -fallow-argument-mismatch" && '
+
+buildopts = 'all SONAME_VERSION="%(version)s"'
+
+moduleclass = 'math'
diff --git a/Golden_Repo/m/Meep/Meep-1.25.0-intel-para-2022a.eb b/Golden_Repo/m/Meep/Meep-1.25.0-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..70451521b30f86b02804a21fd87108409277459e
--- /dev/null
+++ b/Golden_Repo/m/Meep/Meep-1.25.0-intel-para-2022a.eb
@@ -0,0 +1,53 @@
+easyblock = 'ConfigureMake'
+
+name = 'Meep'
+version = '1.25.0'
+
+homepage = 'https://meep.readthedocs.io/en/latest/'
+description = """Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation software package
+ developed at MIT to model electromagnetic systems."""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'usempi': True, 'opt': True, 'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/NanoComp/meep/releases/download/v%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+
+checksums = [
+ 'e400711d0fac38a028dbc8c12cf06a5cdec896d6f2f0907a08f2eab0f13a1459' # meep-1.25.0.tar.gz
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0'),
+ ('SWIG', '4.0.2')
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('HDF5', '1.12.2'),
+ ('FFTW', '3.3.10'),
+ ('libctl', '4.5.1'),
+ ('GSL', '2.7'),
+ ('Guile', '3.0.8'),
+ ('libreadline', '8.1.2'),
+ ('MPB', '1.11.1'),
+ ('Harminv', '1.4.1'),
+ ('libGDSII', '0.21'),
+ ('mpi4py', '3.1.4'),
+ ('h5py', '3.7.0'),
+]
+
+configopts = "--with-mpi CC=mpicc CXX=mpic++ F77=mpif90 MPIRUN=srun PYTHON=python3 "
+configopts += "--with-pic --with-blas=mkl_em64t --with-lapack=mkl_em64t "
+configopts += "--with-libctl=$EBROOTLIBCTL/share/libctl --enable-shared "
+
+sanity_check_paths = {
+ 'files': ['bin/meep', 'include/meep.hpp', 'lib/libmeep.a', 'lib/libpympb.a',
+ 'lib/libmeep.%s' % SHLIB_EXT, 'lib/libpympb.%s' % SHLIB_EXT],
+ 'dirs': ['include/meep', 'lib/python%(pyshortver)s/site-packages/meep', 'share/meep'],
+}
+
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
+
+moduleclass = 'phys'
diff --git a/Golden_Repo/m/MongoDB/MongoDB-6.0.4.eb b/Golden_Repo/m/MongoDB/MongoDB-6.0.4.eb
new file mode 100644
index 0000000000000000000000000000000000000000..00b6d31207a5b8f52ffff7d2c751746dffc099c3
--- /dev/null
+++ b/Golden_Repo/m/MongoDB/MongoDB-6.0.4.eb
@@ -0,0 +1,25 @@
+easyblock = 'PackedBinary'
+
+name = 'MongoDB'
+version = '6.0.4'
+
+homepage = 'https://www.mongodb.com/try/download/community'
+
+description = """
+The community version of our distributed document
+database provides powerful ways to query and analyze your data.
+"""
+
+toolchain = SYSTEM
+
+source_urls = ['https://fastdl.mongodb.org/linux/']
+sources = ['%(namelower)s-linux-x86_64-rhel80-%(version)s.tgz']
+checksums = ['165c01a06f56752c57437a7ee11474c13ba6c64f3ff8b04b9e1ba9bacfff7ac4']
+
+
+sanity_check_paths = {
+ 'files': ['bin/install_compass', 'bin/mongod', 'bin/mongos'],
+ 'dirs': ['bin']
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/m/magma/magma-2.6.1_allow-all-sms.patch b/Golden_Repo/m/magma/magma-2.6.1_allow-all-sms.patch
new file mode 100644
index 0000000000000000000000000000000000000000..5f077c673a6a1f49d97914d5bc2b14df38ed6293
--- /dev/null
+++ b/Golden_Repo/m/magma/magma-2.6.1_allow-all-sms.patch
@@ -0,0 +1,230 @@
+This allows to process any sm_xx passed to GPU_TARGET. Previously some were silently ignored
+See https://bitbucket.org/icl/magma/issues/32/list-of-whitelisted-sm_-values-for-cuda-is
+and https://bitbucket.org/icl/magma/pull-requests/5
+
+Author: Alexander Grund (TU Dresden)
+Updated to 2.6.1: micketeer@gmail.com
+
+--- CMakeLists.txt.orig 2021-07-06 17:02:37.125227748 +0200
++++ CMakeLists.txt 2021-07-06 18:43:13.400804473 +0200
+@@ -124,14 +124,6 @@
+ #message( STATUS " CUDA_CUBLAS_LIBRARIES: ${CUDA_CUBLAS_LIBRARIES}" )
+ include_directories( ${CUDA_INCLUDE_DIRS} )
+
+- # NVCC options for the different cards
+- # sm_xx is binary, compute_xx is PTX for forward compatability
+- # MIN_ARCH is lowest requested version
+- # NV_SM accumulates sm_xx for all requested versions
+- # NV_COMP is compute_xx for highest requested version
+- set( NV_SM "" )
+- set( NV_COMP "" )
+-
+ set(CUDA_SEPARABLE_COMPILATION ON)
+
+ # nvcc >= 6.5 supports -std=c++11, so propagate CXXFLAGS to NVCCFLAGS.
+@@ -140,168 +132,44 @@
+ ## set( CUDA_PROPAGATE_HOST_FLAGS OFF )
+ ##endif()
+
+- if (GPU_TARGET MATCHES Fermi)
+- set( GPU_TARGET "${GPU_TARGET} sm_20" )
+- endif()
+-
+- if (GPU_TARGET MATCHES Kepler)
+- set( GPU_TARGET "${GPU_TARGET} sm_30 sm_35 sm_37" )
+- endif()
+-
+- if (GPU_TARGET MATCHES Maxwell)
+- set( GPU_TARGET "${GPU_TARGET} sm_50" )
+- endif()
+-
+- if (GPU_TARGET MATCHES Pascal)
+- set( GPU_TARGET "${GPU_TARGET} sm_60" )
+- endif()
+-
+- if (GPU_TARGET MATCHES Volta)
+- set( GPU_TARGET "${GPU_TARGET} sm_70" )
+- endif()
+-
+- if (GPU_TARGET MATCHES Turing)
+- set( GPU_TARGET "${GPU_TARGET} sm_75" )
+- endif()
+-
+- if (GPU_TARGET MATCHES Ampere)
+- set( GPU_TARGET "${GPU_TARGET} sm_80" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_20)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 200 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_20,code=sm_20 )
+- set( NV_COMP -gencode arch=compute_20,code=compute_20 )
+- message( STATUS " compile for CUDA arch 2.0 (Fermi)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_30)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 300 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_30,code=sm_30 )
+- set( NV_COMP -gencode arch=compute_30,code=compute_30 )
+- message( STATUS " compile for CUDA arch 3.0 (Kepler)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_35)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 300 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_35,code=sm_35 )
+- set( NV_COMP -gencode arch=compute_35,code=compute_35 )
+- message( STATUS " compile for CUDA arch 3.5 (Kepler)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_37)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 300 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_37,code=sm_37 )
+- set( NV_COMP -gencode arch=compute_37,code=compute_37 )
+- message( STATUS " compile for CUDA arch 3.7 (Kepler)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_50)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 500 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_50,code=sm_50 )
+- set( NV_COMP -gencode arch=compute_50,code=compute_50 )
+- message( STATUS " compile for CUDA arch 5.0 (Maxwell)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_52)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 520 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_52,code=sm_52 )
+- set( NV_COMP -gencode arch=compute_52,code=compute_52 )
+- message( STATUS " compile for CUDA arch 5.2 (Maxwell)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_53)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 530 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_53,code=sm_53 )
+- set( NV_COMP -gencode arch=compute_53,code=compute_53 )
+- message( STATUS " compile for CUDA arch 5.3 (Maxwell)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_60)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 600 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_60,code=sm_60 )
+- set( NV_COMP -gencode arch=compute_60,code=compute_60 )
+- message( STATUS " compile for CUDA arch 6.0 (Pascal)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_61)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 610 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_61,code=sm_61 )
+- set( NV_COMP -gencode arch=compute_61,code=compute_61 )
+- message( STATUS " compile for CUDA arch 6.1 (Pascal)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_62)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 620 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_62,code=sm_62 )
+- set( NV_COMP -gencode arch=compute_62,code=compute_62 )
+- message( STATUS " compile for CUDA arch 6.2 (Pascal)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_70)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 700 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_70,code=sm_70 )
+- set( NV_COMP -gencode arch=compute_70,code=compute_70 )
+- message( STATUS " compile for CUDA arch 7.0 (Volta)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_71)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 710 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_71,code=sm_71 )
+- set( NV_COMP -gencode arch=compute_71,code=compute_71 )
+- message( STATUS " compile for CUDA arch 7.1 (Volta)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_75)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 750 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_75,code=sm_75 )
+- set( NV_COMP -gencode arch=compute_75,code=compute_75 )
+- message( STATUS " compile for CUDA arch 7.5 (Turing)" )
+- endif()
+-
+- if (GPU_TARGET MATCHES sm_80)
+- if (NOT MIN_ARCH)
+- set( MIN_ARCH 800 )
+- endif()
+- set( NV_SM ${NV_SM} -gencode arch=compute_80,code=sm_80 )
+- set( NV_COMP -gencode arch=compute_80,code=compute_80 )
+- message( STATUS " compile for CUDA arch 8.0 (Ampere)" )
+- endif()
+-
+- if (NOT MIN_ARCH)
+- message( FATAL_ERROR "GPU_TARGET must contain one or more of Fermi, Kepler, Maxwell, Pascal, Volta, Turing, Ampere, or valid sm_[0-9][0-9]" )
+- endif()
++ # NVCC options for the different cards
++ # sm_xx is binary, compute_xx is PTX for forward compatability
++ # MIN_SM/MAX_SM is lowest/highest requested version
++ # NV_SM accumulates sm_xx for all requested versions
++ # NV_COMP is compute_xx for highest requested version
++ set( MIN_SM 99 )
++ set( MAX_SM 0 )
++ set( NV_SM "" )
++ set( NV_COMP "" )
+
+- set( CUDA_NVCC_FLAGS ${CUDA_NVCC_FLAGS} -Xcompiler -fPIC ${NV_SM} ${NV_COMP} ${FORTRAN_CONVENTION} )
+- #add_definitions( "-DMAGMA_HAVE_CUDA -DMAGMA_CUDA_ARCH_MIN=${MIN_ARCH}" )
+- set(MAGMA_HAVE_CUDA "1")
+- set(MAGMA_CUDA_ARCH_MIN "${MIN_ARCH}")
++ string( REGEX MATCHALL "sm_[0-9][0-9]" sms "${GPU_TARGET}" )
++ list( SORT sms ) # To make output easier to reason about
++ foreach (sm IN LISTS sms)
++ string( REPLACE "sm_" "" sm "${sm}") # Remove sm_ prefix
++ if (sm LESS MIN_SM)
++ set( MIN_SM "${sm}" )
++ endif()
++ if (sm GREATER MAX_SM)
++ set( MAX_SM "${sm}" )
++ endif()
++ list( APPEND NV_SM -gencode arch=compute_${sm},code=sm_${sm} )
++ string( REGEX REPLACE "([0-9])([0-9])" "\\1.\\2" cuda_arch "${sm}" )
++ message( STATUS " compile for CUDA arch ${cuda_arch}" )
++ endforeach()
++
++ if (NOT NV_SM)
++ message( FATAL_ERROR
++ "GPU_TARGET must contain one or more of "
++ "Fermi, Kepler, Maxwell, Pascal, Volta, Turing, Ampere, or valid sm_[0-9][0-9]"
++ "Was: ${GPU_TARGET}" )
++ endif()
++
++ set( MIN_ARCH ${MIN_SM}0 )
++ set( NV_COMP -gencode arch=compute_${MAX_SM},code=compute_${MAX_SM} )
++
++ list( APPEND CUDA_NVCC_FLAGS -Xcompiler -fPIC ${NV_SM} ${NV_COMP} ${FORTRAN_CONVENTION} )
++ add_definitions( -DMAGMA_HAVE_CUDA=1 )
++ add_definitions( -DMAGMA_CUDA_ARCH_MIN=${MIN_ARCH} )
+ message( STATUS "Define -DMAGMA_HAVE_CUDA -DMAGMA_CUDA_ARCH_MIN=${MIN_ARCH}" )
+ else()
+ message( STATUS "Could not find CUDA" )
diff --git a/Golden_Repo/m/magma/magma-2.6.2-foss-2022a-CUDA-11.7.eb b/Golden_Repo/m/magma/magma-2.6.2-foss-2022a-CUDA-11.7.eb
index 270b017de4d7da9ad11a4917b23378fbc61ee0e1..27a5e9a080037f1cf26611e2db75345fa2089368 100644
--- a/Golden_Repo/m/magma/magma-2.6.2-foss-2022a-CUDA-11.7.eb
+++ b/Golden_Repo/m/magma/magma-2.6.2-foss-2022a-CUDA-11.7.eb
@@ -26,12 +26,13 @@ builddependencies = [
]
dependencies = [
('CUDA', '11.7', '', SYSTEM),
- ('UCX', 'default'),
]
# make sure both static and shared libs are built
configopts = [
- '-DBUILD_SHARED_LIBS=%s -DGPU_TARGET="%%(cuda_sm_space_sep)s" ' % local_shared for local_shared in ('ON', 'OFF')
+ '-DMKL_ILP64=ON \
+ -DBUILD_SHARED_LIBS=%s \
+ -DGPU_TARGET="%%(cuda_sm_space_sep)s" ' % local_shared for local_shared in ('ON', 'OFF')
]
sanity_check_paths = {
diff --git a/Golden_Repo/m/myqlm/myqlm-1.7.3-GCCcore-11.3.0.eb b/Golden_Repo/m/myqlm/myqlm-1.7.3-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..b4793f582e6a589110997898cf343e1e1f1410b8
--- /dev/null
+++ b/Golden_Repo/m/myqlm/myqlm-1.7.3-GCCcore-11.3.0.eb
@@ -0,0 +1,148 @@
+easyblock = 'PythonBundle'
+
+name = 'myqlm'
+version = '1.7.3'
+
+homepage = 'https://atos.net/en/lp/myqlm'
+description = """myQLM is a quantum software stack for writing, simulating, optimizing, and executing quantum programs.
+ myQLM also interfaces with the QLM, for Quantum Learning Machine, the quantum programming appliance of Atos."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')), # numpy
+ ('dill', '0.3.6'),
+ ('networkx', '2.8.4', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('tqdm', '4.64.0'),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('IPython', '8.14.0'),
+]
+
+exts_default_options = {
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+ 'sanity_pip_check': True,
+ 'download_dep_fail': True,
+ 'use_pip_for_deps': False,
+}
+
+exts_list = [
+ ('pyDOE', '0.3.8', {
+ 'modulename': 'pyDOE',
+ 'sources': ['%(name)s-%(version)s.zip'],
+ 'checksums': ['cbd6f14ae26d3c9f736013205f53ea1191add4567033c3ee77b7dd356566c4b6'],
+ }),
+ ('Wand', '0.6.11', {
+ 'sources': ['%(name)s-%(version)s-py2.py3-none-any.whl'],
+ 'checksums': ['1b77e25439ace57f665d1ccc6cff2766fad0834005b89ae3e7aaf3ba12b124b0'],
+ }),
+ ('svgwrite', '1.4.3', {
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['bb6b2b5450f1edbfa597d924f9ac2dd099e625562e492021d7dd614f65f8a22d'],
+ }),
+ ('thrift', '0.16.0', {
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': ['2b5b6488fcded21f9d312aa23c9ff6a0195d0f6ae26ddbd5ad9e3e25dfc14408'],
+ }),
+ ('anytree', '2.8.0', {
+ 'sources': ['%(name)s-%(version)s-py2.py3-none-any.whl'],
+ 'checksums': ['14c55ac77492b11532395049a03b773d14c7e30b22aa012e337b1e983de31521'],
+ }),
+ ('qat_devices', '0.2.0', {
+ 'modulename': 'qat.devices',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux1_x86_64.whl'],
+ 'checksums': ['0d35fa689c1866a91f141a25bfb5b43f0c0a030686de8b37ff672f3b04389400'],
+ }),
+ ('qat_comm', '1.4.2', {
+ 'modulename': 'qat.comm',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux1_x86_64.whl'],
+ 'checksums': ['e063b07d4f9620f97805243a1fce898a4ef4ae86da9c9ede860d98a6339bed00'],
+ }),
+ ('myqlm_simulators', '1.7.1', {
+ 'modulename': 'qat.pylinalg',
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['2df96e14c8ee10fef4dd23c00975f087e5b947359b48952272301b24b0d11a7b'],
+ }),
+ ('qat_core', '1.6.4', {
+ 'modulename': 'qat.core',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux1_x86_64.whl'],
+ 'checksums': ['8b275a1178e2415e75c825ac29024b1c0c07b9f95523be415eb2155b21032030'],
+ }),
+ ('myqlm_contrib', '1.7.1', {
+ 'modulename': 'qat.sabre',
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['7768d239bb187f8d54a64a622b237a3d032de80e147575bdeaf5dd1089b4dbf9'],
+ }),
+ ('myqlm_fermion', '1.0.0', {
+ 'modulename': 'qat.fermion',
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['b7ca8cd1698dc3c83892496f293137d0b437ebaa10143bebc4008611d3b5323a'],
+ }),
+ ('myqlm_clinalg', '0.0.5', {
+ 'modulename': 'qat.clinalg',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux1_x86_64.whl'],
+ 'checksums': ['28ff7d0c6b3ada76e2f5e0e0a54f67c2451e410593a07ea8ee5c5d0395d70e8e'],
+ }),
+ ('qat_variational', '1.4.0', {
+ 'modulename': 'qat.plugins',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux1_x86_64.whl'],
+ 'checksums': ['3737f70ec10999bc3255ecb21a4bde318b1fa316b770271267e68f333fc2ce8e'],
+ }),
+ ('qat_lang', '2.2.1', {
+ 'modulename': 'qat.lang',
+ 'sources': ['%(name)s-%(version)s-cp310-cp310-manylinux1_x86_64.whl'],
+ 'checksums': ['5a495e9b1d453907600b0776ab6d4e72531c2a3a57d16ecfc2e360fbef17b5e4'],
+ }),
+ (name, version, {
+ 'modulename': 'qat',
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['7402230a97222ab9b989b44b3c494e281db784e60db46994452b7088c9556354'],
+ }),
+ ('myqlm_interop', '1.7.1', {
+ 'modulename': 'qat.interop',
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['fd05af8e62e0bcf40d82c68a5c8da2c56c5112cbb9a358e9ca26f6c43eb8147f'],
+ }),
+]
+
+# TODO: qat.magics.install creates file in $HOME
+# "/p/home/jusers/gonzalezcalaza1/jureca/.ipython/profile_default/startup/myqlm.py"
+# install in PyQuantum instead?
+# postinstallcmds = [
+# # ensure we install in the correct directory !!!
+# 'cd %(builddir)s',
+# 'python3 -m venv %(installdir)s --system-site-packages',
+
+# 'echo "#!/bin/bash" > %(builddir)s/env.sh',
+# 'echo "source %(installdir)s/bin/activate" >> %(builddir)s/env.sh',
+# (
+# 'echo "export PYTHONPATH='
+# '%(installdir)s/lib/python%(pyshortver)s/site-packages:'
+# '${EBROOTPYTHON}/lib/python%(pyshortver)s/site-packages:'
+# '${PYTHONPATH}" >> %(builddir)s/env.sh'
+# ),
+
+# 'echo "export PATH=%(installdir)s/bin:${PATH}" >> %(builddir)s/env.sh',
+# 'cat %(builddir)s/env.sh',
+# # install
+# 'source %(builddir)s/env.sh && python -m qat.magics.install',
+
+# # Ensure we remove the virtuel environment to avoid wrong search path for python packages
+# 'rm -f %(installdir)s/pyvenv.cfg',
+# 'rm -f %(installdir)s/bin/python',
+# 'rm -f %(installdir)s/bin/python3',
+# 'rm -f %(installdir)s/bin/activate',
+# 'rm -f %(installdir)s/bin/activate*',
+# 'rm -f %(installdir)s/bin/easy_install*',
+# 'rm -f %(installdir)s/bin/pip*',
+# 'rm -rf %(installdir)s/lib/python%(pyshortver)s/site-packages/_distutils_hack',
+# 'rm -f %(installdir)s/lib/python%(pyshortver)s/site-packages/distutils-precedence.pth',
+# 'rm -rf %(installdir)s/lib/python%(pyshortver)s/site-packages/pip',
+# 'rm -rf %(installdir)s/lib/python%(pyshortver)s/site-packages/pip-*',
+# 'rm -rf %(installdir)s/lib/python%(pyshortver)s/site-packages/pkg_resources',
+# 'rm -rf %(installdir)s/lib/python%(pyshortver)s/site-packages/setuptools',
+# 'rm -rf %(installdir)s/lib/python%(pyshortver)s/site-packages/setuptools-*',
+# ]
+
+moduleclass = 'quantum'
diff --git a/Golden_Repo/n/NCO/NCO-5.1.3-gompi-2022a.eb b/Golden_Repo/n/NCO/NCO-5.1.3-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1319ae7517bf3e968d15a6c45e5418e2fc635a86
--- /dev/null
+++ b/Golden_Repo/n/NCO/NCO-5.1.3-gompi-2022a.eb
@@ -0,0 +1,45 @@
+easyblock = 'ConfigureMake'
+
+name = 'NCO'
+version = '5.1.3'
+
+homepage = "https://github.com/nco/nco"
+description = """The NCO toolkit manipulates and analyzes data stored in netCDF-accessible formats,
+including DAP, HDF4, and HDF5."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+
+source_urls = ['https://github.com/nco/nco/archive/']
+sources = ['%(version)s.tar.gz']
+checksums = ['f6766627dab3f067c88f2cd713e3058c324ea4f900fabf9755bdd8918c32de7b']
+
+builddependencies = [
+ ('Bison', '3.8.2'),
+ ('flex', '2.6.4'),
+]
+
+dependencies = [
+ ('UDUNITS', '2.2.28'),
+ ('expat', '2.4.8'),
+ ('ANTLR', '2.7.7'),
+ ('libdap', '3.20.11'),
+ ('GSL', '2.7'),
+ ('netCDF', '4.9.0'),
+ # ('ESMF', '8.3.0'), # ncremap needs ESMF_RegridWeightGen
+]
+
+configopts = "--enable-nco_cplusplus"
+
+sanity_check_paths = {
+ 'files': ['bin/nc%s' % x for x in ('ap2', 'atted', 'bo', 'diff', 'ea', 'ecat', 'es',
+ 'flint', 'ks', 'pdq', 'ra', 'rcat', 'rename', 'wa')] +
+ ['lib/libnco.a', 'lib/libnco.%s' % SHLIB_EXT,
+ 'lib/libnco_c++.a', 'lib/libnco_c++.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+sanity_check_commands = [
+ "ncks -O -7 --cnk_dmn time,10 "
+ "%(builddir)s/%(namelower)s-%(version)s/data/in.nc %(builddir)s/%(namelower)s-%(version)s/data/in4.cdl"
+]
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/n/NCO/NCO-5.1.3-ipsmpi-2022a.eb b/Golden_Repo/n/NCO/NCO-5.1.3-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..04c65b25fe78f6db74bc2ba1e4592be5a70d2e48
--- /dev/null
+++ b/Golden_Repo/n/NCO/NCO-5.1.3-ipsmpi-2022a.eb
@@ -0,0 +1,45 @@
+easyblock = 'ConfigureMake'
+
+name = 'NCO'
+version = '5.1.3'
+
+homepage = "https://github.com/nco/nco"
+description = """The NCO toolkit manipulates and analyzes data stored in netCDF-accessible formats,
+including DAP, HDF4, and HDF5."""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+
+source_urls = ['https://github.com/nco/nco/archive/']
+sources = ['%(version)s.tar.gz']
+checksums = ['f6766627dab3f067c88f2cd713e3058c324ea4f900fabf9755bdd8918c32de7b']
+
+builddependencies = [
+ ('Bison', '3.8.2'),
+ ('flex', '2.6.4'),
+]
+
+dependencies = [
+ ('UDUNITS', '2.2.28'),
+ ('expat', '2.4.8'),
+ ('ANTLR', '2.7.7'),
+ ('libdap', '3.20.11'),
+ ('GSL', '2.7'),
+ ('netCDF', '4.9.0'),
+ # ('ESMF', '8.3.0'), # ncremap needs ESMF_RegridWeightGen
+]
+
+configopts = "--enable-nco_cplusplus"
+
+sanity_check_paths = {
+ 'files': ['bin/nc%s' % x for x in ('ap2', 'atted', 'bo', 'diff', 'ea', 'ecat', 'es',
+ 'flint', 'ks', 'pdq', 'ra', 'rcat', 'rename', 'wa')] +
+ ['lib/libnco.a', 'lib/libnco.%s' % SHLIB_EXT,
+ 'lib/libnco_c++.a', 'lib/libnco_c++.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+sanity_check_commands = [
+ "ncks -O -7 --cnk_dmn time,10 "
+ "%(builddir)s/%(namelower)s-%(version)s/data/in.nc %(builddir)s/%(namelower)s-%(version)s/data/in4.cdl"
+]
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/n/NCO/NCO-5.1.4-npsmpic-2022a.eb b/Golden_Repo/n/NCO/NCO-5.1.4-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..7c4d3cb823427ceaeae0af7f9118d3ad84790f1b
--- /dev/null
+++ b/Golden_Repo/n/NCO/NCO-5.1.4-npsmpic-2022a.eb
@@ -0,0 +1,45 @@
+easyblock = 'ConfigureMake'
+
+name = 'NCO'
+version = '5.1.4'
+
+homepage = "https://github.com/nco/nco"
+description = """The NCO toolkit manipulates and analyzes data stored in netCDF-accessible formats,
+including DAP, HDF4, and HDF5."""
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+
+source_urls = ['https://github.com/nco/nco/archive/']
+sources = ['%(version)s.tar.gz']
+checksums = ['4b1ec67b795b985990620be7b7422ecae6da77f5ec93e4407b799f0220dffc88']
+
+builddependencies = [
+ ('Bison', '3.8.2'),
+ ('flex', '2.6.4'),
+]
+
+dependencies = [
+ ('UDUNITS', '2.2.28'),
+ ('expat', '2.4.8'),
+ ('ANTLR', '2.7.7'),
+ ('libdap', '3.20.11'),
+ ('GSL', '2.7'),
+ ('netCDF', '4.9.0'),
+ # ('ESMF', '8.3.0'), # ncremap needs ESMF_RegridWeightGen
+]
+
+configopts = "--enable-nco_cplusplus"
+
+sanity_check_paths = {
+ 'files': ['bin/nc%s' % x for x in ('ap2', 'atted', 'bo', 'diff', 'ea', 'ecat', 'es',
+ 'flint', 'ks', 'pdq', 'ra', 'rcat', 'rename', 'wa')] +
+ ['lib/libnco.a', 'lib/libnco.%s' % SHLIB_EXT,
+ 'lib/libnco_c++.a', 'lib/libnco_c++.%s' % SHLIB_EXT],
+ 'dirs': ['include'],
+}
+sanity_check_commands = [
+ "ncks -O -7 --cnk_dmn time,10 "
+ "%(builddir)s/%(namelower)s-%(version)s/data/in.nc %(builddir)s/%(namelower)s-%(version)s/data/in4.cdl"
+]
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/n/NVHPC/NVHPC-23.1.eb b/Golden_Repo/n/NVHPC/NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..a7fe10e3b168927c89b6cea4dc009fd59b4510ed
--- /dev/null
+++ b/Golden_Repo/n/NVHPC/NVHPC-23.1.eb
@@ -0,0 +1,73 @@
+name = 'NVHPC'
+version = '23.1'
+local_gccver = '11.3.0'
+
+homepage = 'https://developer.nvidia.com/hpc-sdk/'
+description = """C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)"""
+
+toolchain = SYSTEM
+
+# By downloading, you accept the HPC SDK Software License Agreement (https://docs.nvidia.com/hpc-sdk/eula/index.html)
+source_urls = ['https://developer.download.nvidia.com/hpc-sdk/%(version)s/']
+local_tarball_tmpl = 'nvhpc_2023_%%(version_major)s%%(version_minor)s_Linux_%s_cuda_multi.tar.gz'
+sources = [local_tarball_tmpl % '%(arch)s']
+checksums = [
+ {
+ local_tarball_tmpl % 'aarch64':
+ '5b430e03752954ea62ac1c745b1735cfdaa43b2e981a9412c1465ecb0412fff6',
+ local_tarball_tmpl % 'ppc64le':
+ '81759e7c747bf4f552b75e7657301f76ecc0828b94fe860f81108c6e83e6ad2b',
+ local_tarball_tmpl % 'x86_64':
+ '55a064415f6d4ce6a01823ee27ebd266f4fb579679871e7c1a7c054bdc18e9f5',
+ }
+]
+
+dependencies = [
+ ('GCCcore', local_gccver),
+ ('binutils', '2.38', '', ('GCCcore', local_gccver)),
+ ('CUDA', '11.7', '', SYSTEM),
+ # This is necessary to avoid cases where just libnuma.so.1 is present in the system and -lnuma fails
+ ('numactl', '2.0.15', '', ('GCCcore', local_gccver))
+]
+
+module_add_cuda = False
+
+# specify default CUDA version that should be used by NVHPC
+# should match one of the CUDA versions that are included with this NVHPC version
+# (see install_components/Linux_x86_64/22.3/cuda/)
+# for NVHPC 22.3, those are: 11.6, 11.0, 10.2;
+# this version can be tweaked from the EasyBuild command line with
+# --try-amend=default_cuda_version="11.0" (for example)
+default_cuda_version = '%(cudaver)s'
+
+# NVHPC EasyBlock supports some features, which can be set via CLI or this easyconfig.
+# The following list gives examples for the easyconfig
+#
+# NVHPC needs CUDA to work. Two options are available: 1) Use NVHPC-bundled CUDA, 2) use system CUDA
+# 1) Bundled CUDA
+# If no easybuild dependency to CUDA is present, the bundled CUDA is taken. A version needs to be specified with
+# default_cuda_version = "11.0"
+# in this easyconfig file; alternatively, it can be specified through the command line during installation with
+# --try-amend=default_cuda_version="10.2"
+# 2) CUDA provided via EasyBuild
+# Use CUDA as a dependency, for example
+# dependencies = [('CUDA', '11.5.0')]
+# The parameter default_cuda_version still can be set as above.
+# If not set, it will be deduced from the CUDA module (via $EBVERSIONCUDA)
+#
+# Define a NVHPC-default Compute Capability
+# cuda_compute_capabilities = "8.0"
+# Can also be specified on the EasyBuild command line via --cuda-compute-capabilities=8.0
+# Only single values supported, not lists of values!
+#
+# Options to add/remove things to/from environment module (defaults shown)
+# module_byo_compilers = False # Remove compilers from PATH (Bring-your-own compilers)
+# module_nvhpc_own_mpi = False # Add NVHPC's own pre-compiled OpenMPI
+# module_add_math_libs = False # Add NVHPC's math libraries (which should be there from CUDA anyway)
+# module_add_profilers = False # Add NVHPC's NVIDIA Profilers
+# module_add_nccl = False # Add NVHPC's NCCL library
+# module_add_nvshmem = False # Add NVHPC's NVSHMEM library
+# module_add_cuda = False # Add NVHPC's bundled CUDA
+
+# this bundle serves as a compiler-only toolchain, so it should be marked as compiler (important for HMNS)
+moduleclass = 'compiler'
diff --git a/Golden_Repo/n/Nsight-Compute/Nsight-Compute-2023.1.0-GCCcore-11.3.0.eb b/Golden_Repo/n/Nsight-Compute/Nsight-Compute-2023.1.0-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f7b53fb537e17e6f09698ed73e924033cb939224
--- /dev/null
+++ b/Golden_Repo/n/Nsight-Compute/Nsight-Compute-2023.1.0-GCCcore-11.3.0.eb
@@ -0,0 +1,47 @@
+# jg (CSCS)
+# AH (JSC)
+easyblock = 'Binary'
+
+name = 'Nsight-Compute'
+version = '2023.1.0'
+homepage = 'https://developer.nvidia.com/nsight-compute'
+description = 'NVIDIA Nsight Compute is an interactive kernel profiler for CUDA applications'
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+# Download source binary package manually, requires Nvidia Developer Account
+# source_urls = 'https://developer.nvidia.com/nsight-compute'
+sources = [{
+ 'filename': 'nsight-compute-linux-%(version)s.16-32451174.run',
+ 'extract_cmd': '/bin/sh %s'
+}]
+checksums = ['3daa4906f8d878590a462839b3f9dc642ebe6070e6ac145bd36198b7c6309c99']
+
+# Not really necessary, but useful if we use this as a template for another package
+builddependencies = [
+ ('binutils', '2.38'),
+]
+
+dependencies = [
+ ('X11', '20220504')
+]
+
+extract_sources = True
+unpack_options = '--nochown --noexec --nox11 --target %(builddir)s'
+
+install_cmd = 'cp -r %(builddir)s/pkg/* %(installdir)s/'
+
+# Workaround due to wrong permissions once the files are extracted from the .run file
+postinstallcmds = [
+ 'find %(installdir)s -type f -and -executable -and ! -name "lib*" -exec chmod go+x {} \;']
+
+sanity_check_paths = {
+ 'files': ['ncu-ui', 'ncu'],
+ 'dirs': ['docs', 'extras', 'host', 'sections', 'target']
+}
+
+modluafooter = """
+add_property("arch","gpu")
+"""
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/n/Nsight-Systems/Nsight-Systems-2023.2.1-GCCcore-11.3.0.eb b/Golden_Repo/n/Nsight-Systems/Nsight-Systems-2023.2.1-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f1170c5ff0d73ce2e912f7c1d34e6f8c5acdc49e
--- /dev/null
+++ b/Golden_Repo/n/Nsight-Systems/Nsight-Systems-2023.2.1-GCCcore-11.3.0.eb
@@ -0,0 +1,44 @@
+# jg (CSCS)
+# AH (JSC)
+easyblock = 'Binary'
+
+name = 'Nsight-Systems'
+version = '2023.2.1'
+homepage = 'https://developer.nvidia.com/nsight-systems'
+description = 'NVIDIA Nsight Systems is a system-wide performance analysis tool'
+
+# GCCcore toolchain is not strictly necessary, but used to bring it to same level as Nsight Compute
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+# Download source binary package manually, requires Nvidia Developer Account
+# source_urls = 'https://developer.nvidia.com/nsight-systems'
+sources = [{
+ 'filename': 'NsightSystems-linux-public-%(version)s.122-3259852.run',
+ 'extract_cmd': '/bin/sh %s'
+}]
+checksums = ['894a8a6bb08b1314eec41309a3c56386a4929ba58914278e49fa9a5fd2724f89']
+
+dependencies = [
+ ('X11', '20220504')
+]
+
+
+extract_sources = True
+unpack_options = '--accept --nochown --noexec --nox11 --target %(builddir)s'
+
+install_cmd = 'cp -r %(builddir)s/pkg/* %(installdir)s/'
+
+sanity_check_paths = {
+ 'files': ['bin/nsys'],
+ 'dirs': ['target-linux-x64', 'host-linux-x64']
+}
+
+modextravars = {
+ 'NSIGHT_DOC': '%(installdir)s/documentation/nsys-exporter'
+}
+
+modluafooter = """
+add_property("arch","gpu")
+"""
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-gompi-2022a.eb b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..50ed6850d0a497990ee7ea3d71c66493c5a54cc0
--- /dev/null
+++ b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-gompi-2022a.eb
@@ -0,0 +1,25 @@
+easyblock = 'ConfigureMake'
+
+name = 'netCDF-C++4'
+version = '4.3.1'
+
+homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-cxx4/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['e3fe3d2ec06c1c2772555bf1208d220aab5fee186d04bd265219b0bc7a978edc']
+
+dependencies = [('netCDF', '4.9.0')]
+
+sanity_check_paths = {
+ 'files': ['include/netcdf', 'lib/libnetcdf_c++4.a', 'lib/libnetcdf_c++4.%s' % SHLIB_EXT],
+ 'dirs': [],
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-gpsmpi-2022a.eb b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..767674d4124fdb9595585bd1e0af733c3dba0b34
--- /dev/null
+++ b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-gpsmpi-2022a.eb
@@ -0,0 +1,25 @@
+easyblock = 'ConfigureMake'
+
+name = 'netCDF-C++4'
+version = '4.3.1'
+
+homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-cxx4/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['e3fe3d2ec06c1c2772555bf1208d220aab5fee186d04bd265219b0bc7a978edc']
+
+dependencies = [('netCDF', '4.9.0')]
+
+sanity_check_paths = {
+ 'files': ['include/netcdf', 'lib/libnetcdf_c++4.a', 'lib/libnetcdf_c++4.%s' % SHLIB_EXT],
+ 'dirs': [],
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-ipsmpi-2022a.eb b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..28870b23937a14af7e469868fdcdd5b6aab999ce
--- /dev/null
+++ b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-ipsmpi-2022a.eb
@@ -0,0 +1,25 @@
+easyblock = 'ConfigureMake'
+
+name = 'netCDF-C++4'
+version = '4.3.1'
+
+homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data."""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-cxx4/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['e3fe3d2ec06c1c2772555bf1208d220aab5fee186d04bd265219b0bc7a978edc']
+
+dependencies = [('netCDF', '4.9.0')]
+
+sanity_check_paths = {
+ 'files': ['include/netcdf', 'lib/libnetcdf_c++4.a', 'lib/libnetcdf_c++4.%s' % SHLIB_EXT],
+ 'dirs': [],
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-npsmpic-2022a.eb b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..40045482f03ecb4abb110933838af1687cd0d758
--- /dev/null
+++ b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-npsmpic-2022a.eb
@@ -0,0 +1,25 @@
+easyblock = 'ConfigureMake'
+
+name = 'netCDF-C++4'
+version = '4.3.1'
+
+homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data."""
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-cxx4/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['e3fe3d2ec06c1c2772555bf1208d220aab5fee186d04bd265219b0bc7a978edc']
+
+dependencies = [('netCDF', '4.9.0')]
+
+sanity_check_paths = {
+ 'files': ['include/netcdf', 'lib/libnetcdf_c++4.a', 'lib/libnetcdf_c++4.%s' % SHLIB_EXT],
+ 'dirs': [],
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-nvompic-2022a.eb b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9b395b3133583fced8baa3c67ef3d8c62bd2cb05
--- /dev/null
+++ b/Golden_Repo/n/netCDF-C++4/netCDF-C++4-4.3.1-nvompic-2022a.eb
@@ -0,0 +1,25 @@
+easyblock = 'ConfigureMake'
+
+name = 'netCDF-C++4'
+version = '4.3.1'
+
+homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data."""
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-cxx4/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['e3fe3d2ec06c1c2772555bf1208d220aab5fee186d04bd265219b0bc7a978edc']
+
+dependencies = [('netCDF', '4.9.0')]
+
+sanity_check_paths = {
+ 'files': ['include/netcdf', 'lib/libnetcdf_c++4.a', 'lib/libnetcdf_c++4.%s' % SHLIB_EXT],
+ 'dirs': [],
+}
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF-Fortran/netCDF-Fortran-4.6.0-npsmpic-2022a.eb b/Golden_Repo/n/netCDF-Fortran/netCDF-Fortran-4.6.0-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9334561e670015c3fddf0c64b822f9ba3e87fc1e
--- /dev/null
+++ b/Golden_Repo/n/netCDF-Fortran/netCDF-Fortran-4.6.0-npsmpic-2022a.eb
@@ -0,0 +1,28 @@
+name = 'netCDF-Fortran'
+version = '4.6.0'
+
+homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data."""
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-fortran/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['8194aa70e400c0adfc456127c1d97af2c6489207171d13b10cd754a16da8b0ca']
+
+builddependencies = [
+ ('M4', '1.4.19'),
+]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('bzip2', '1.0.8'),
+]
+
+# (too) parallel build fails, but single-core build is fairly quick anyway (~1min)
+parallel = 1
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF-Fortran/netCDF-Fortran-4.6.0-nvompic-2022a.eb b/Golden_Repo/n/netCDF-Fortran/netCDF-Fortran-4.6.0-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f39c29f52521afd257c1809a77abbc0d8d721f3d
--- /dev/null
+++ b/Golden_Repo/n/netCDF-Fortran/netCDF-Fortran-4.6.0-nvompic-2022a.eb
@@ -0,0 +1,28 @@
+name = 'netCDF-Fortran'
+version = '4.6.0'
+
+homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data."""
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-fortran/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['8194aa70e400c0adfc456127c1d97af2c6489207171d13b10cd754a16da8b0ca']
+
+builddependencies = [
+ ('M4', '1.4.19'),
+]
+
+dependencies = [
+ ('netCDF', '4.9.0'),
+ ('bzip2', '1.0.8'),
+]
+
+# (too) parallel build fails, but single-core build is fairly quick anyway (~1min)
+parallel = 1
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF/netCDF-4.9.0-npsmpic-2022a.eb b/Golden_Repo/n/netCDF/netCDF-4.9.0-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..aa9f7cd82d626169aabb1fecc0ab5a6e54bfec72
--- /dev/null
+++ b/Golden_Repo/n/netCDF/netCDF-4.9.0-npsmpic-2022a.eb
@@ -0,0 +1,78 @@
+name = 'netCDF'
+version = '4.9.0'
+
+homepage = 'http://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data.
+"""
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-c/archive/']
+sources = ['v%s.tar.gz' % (version)]
+patches = [
+ 'netCDF-%(version)s_fix-lib-name.patch',
+ 'netCDF-%(version)s_fix-linking-errors.patch',
+ 'netCDF-%(version)s_skip-nasa-test.patch',
+]
+checksums = [
+ '9f4cb864f3ab54adb75409984c6202323d2fc66c003e5308f3cdf224ed41c0a6', # v4.9.0.tar.gz
+ # netCDF-4.9.0_fix-lib-name.patch
+ 'ed45ae6c49cf8dcddaadef4c5cf403049bf3f761187413d7b03754d319345d6a',
+ # netCDF-4.9.0_fix-linking-errors.patch
+ '2b9579c149579d137eb16ae5d790787774033dcec49c0d4993d9859f224e7b15',
+ # netCDF-4.9.0_skip-nasa-test.patch
+ '19d99e03c048b037dc01f03f5b8ddc910ebaceb076d0f050540d348f26dfcd2a',
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('CMake', '3.23.1'),
+ ('Doxygen', '1.9.4'),
+]
+
+dependencies = [
+ ('HDF5', '1.12.2'),
+ ('cURL', '7.83.0'),
+ ('Szip', '2.1.1'),
+ ('zstd', '1.5.2'),
+ ('bzip2', '1.0.8'),
+ ('libxml2', '2.9.13'),
+ ('PnetCDF', '1.12.3'),
+]
+
+# disable tests that fail only with NVHPC - only needed when building with tests and without PnetCDF
+# comment out tests for put_varX_schar
+# preconfigopts = ("sed -i -e 's|NC_TEST(nc_put_var_schar);|/*NC_TEST(nc_put_var_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_var1_schar);|/*NC_TEST(nc_put_var1_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_vara_schar);|/*NC_TEST(nc_put_vara_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_vars_schar);|/*NC_TEST(nc_put_vars_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_varm_schar);|/*NC_TEST(nc_put_varm_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_att_schar);|/*NC_TEST(nc_put_att_schar);*/|g'"
+# " %(builddir)s/%(namelower)s-c-%(version)s/nc_test/nc_test.c &&")
+
+# comment out chunking tests
+# preconfigopts += ("sed -i -e 's|diff -b \${srcdir}/ref_rem.dmp tmp_rem_\${zext}.txt|echo \"skipped by EasyBuild\"|g'"
+# " -e 's|diff -b \${srcdir}/ref_ndims.dmp tmp_ndims_\${zext}.dmp|echo \"skipped by EasyBuild\"|g'"
+# " -e 's|diff -b ${srcdir}/ref_misc1.dmp tmp_misc1_${zext}.dmp|echo \"skipped by EasyBuild\"|g'"
+# " %(builddir)s/%(namelower)s-c-%(version)s/nczarr_test/run_chunkcases.sh &&")
+
+# make sure both static and shared libs are built
+# enable PnetCDF
+# and disable "remote" tests that access a unreliable external test server over internet
+configopts = [
+ "-DENABLE_PNETCDF=ON -DENABLE_DAP_REMOTE_TESTS=OFF -DBUILD_SHARED_LIBS=OFF -DMPIEXEC='/usr/bin/srun'",
+ "-DENABLE_PNETCDF=ON -DENABLE_DAP_REMOTE_TESTS=OFF -DBUILD_SHARED_LIBS=ON -DMPIEXEC='/usr/bin/srun'",
+]
+
+# some tests try to start 16 MPI ranks, so we need to allow oversubscription to avoid failing tests
+# pretestopts = "OMPI_MCA_rmaps_base_oversubscribe=1 "
+
+# switch off tests to build with PnetCDF, as cmake configuration for pnetcdf-based tests contains bugs
+# will be fixed in 4.9.1
+# https://github.com/Unidata/netcdf-c/pull/2437
+# runtest = 'test'
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netCDF/netCDF-4.9.0-nvompic-2022a.eb b/Golden_Repo/n/netCDF/netCDF-4.9.0-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d96fd0b7b761103dd2f0d3c2d5f5f1957d7b20d4
--- /dev/null
+++ b/Golden_Repo/n/netCDF/netCDF-4.9.0-nvompic-2022a.eb
@@ -0,0 +1,78 @@
+name = 'netCDF'
+version = '4.9.0'
+
+homepage = 'http://www.unidata.ucar.edu/software/netcdf/'
+description = """NetCDF (network Common Data Form) is a set of software libraries
+ and machine-independent data formats that support the creation, access, and sharing of array-oriented
+ scientific data.
+"""
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['https://github.com/Unidata/netcdf-c/archive/']
+sources = ['v%s.tar.gz' % (version)]
+patches = [
+ 'netCDF-%(version)s_fix-lib-name.patch',
+ 'netCDF-%(version)s_fix-linking-errors.patch',
+ 'netCDF-%(version)s_skip-nasa-test.patch',
+]
+checksums = [
+ '9f4cb864f3ab54adb75409984c6202323d2fc66c003e5308f3cdf224ed41c0a6', # v4.9.0.tar.gz
+ # netCDF-4.9.0_fix-lib-name.patch
+ 'ed45ae6c49cf8dcddaadef4c5cf403049bf3f761187413d7b03754d319345d6a',
+ # netCDF-4.9.0_fix-linking-errors.patch
+ '2b9579c149579d137eb16ae5d790787774033dcec49c0d4993d9859f224e7b15',
+ # netCDF-4.9.0_skip-nasa-test.patch
+ '19d99e03c048b037dc01f03f5b8ddc910ebaceb076d0f050540d348f26dfcd2a',
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('CMake', '3.23.1'),
+ ('Doxygen', '1.9.4'),
+]
+
+dependencies = [
+ ('HDF5', '1.12.2'),
+ ('cURL', '7.83.0'),
+ ('Szip', '2.1.1'),
+ ('zstd', '1.5.2'),
+ ('bzip2', '1.0.8'),
+ ('libxml2', '2.9.13'),
+ ('PnetCDF', '1.12.3'),
+]
+
+# disable tests that fail only with NVHPC - only needed when building with tests and without PnetCDF
+# comment out tests for put_varX_schar
+# preconfigopts = ("sed -i -e 's|NC_TEST(nc_put_var_schar);|/*NC_TEST(nc_put_var_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_var1_schar);|/*NC_TEST(nc_put_var1_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_vara_schar);|/*NC_TEST(nc_put_vara_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_vars_schar);|/*NC_TEST(nc_put_vars_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_varm_schar);|/*NC_TEST(nc_put_varm_schar);*/|g'"
+# " -e 's|NC_TEST(nc_put_att_schar);|/*NC_TEST(nc_put_att_schar);*/|g'"
+# " %(builddir)s/%(namelower)s-c-%(version)s/nc_test/nc_test.c &&")
+
+# comment out chunking tests
+# preconfigopts += ("sed -i -e 's|diff -b \${srcdir}/ref_rem.dmp tmp_rem_\${zext}.txt|echo \"skipped by EasyBuild\"|g'"
+# " -e 's|diff -b \${srcdir}/ref_ndims.dmp tmp_ndims_\${zext}.dmp|echo \"skipped by EasyBuild\"|g'"
+# " -e 's|diff -b ${srcdir}/ref_misc1.dmp tmp_misc1_${zext}.dmp|echo \"skipped by EasyBuild\"|g'"
+# " %(builddir)s/%(namelower)s-c-%(version)s/nczarr_test/run_chunkcases.sh &&")
+
+# make sure both static and shared libs are built
+# enable PnetCDF
+# and disable "remote" tests that access a unreliable external test server over internet
+configopts = [
+ "-DENABLE_PNETCDF=ON -DENABLE_DAP_REMOTE_TESTS=OFF -DBUILD_SHARED_LIBS=OFF -DMPIEXEC='/usr/bin/srun'",
+ "-DENABLE_PNETCDF=ON -DENABLE_DAP_REMOTE_TESTS=OFF -DBUILD_SHARED_LIBS=ON -DMPIEXEC='/usr/bin/srun'",
+]
+
+# some tests try to start 16 MPI ranks, so we need to allow oversubscription to avoid failing tests
+# pretestopts = "OMPI_MCA_rmaps_base_oversubscribe=1 "
+
+# switch off tests to build with PnetCDF, as cmake configuration for pnetcdf-based tests contains bugs
+# will be fixed in 4.9.1
+# https://github.com/Unidata/netcdf-c/pull/2437
+# runtest = 'test'
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netcdf4-python/netcdf4-python-1.1.8-avoid-diskless-test.patch b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.1.8-avoid-diskless-test.patch
new file mode 100644
index 0000000000000000000000000000000000000000..d146f649548b0815386b6003647eb6cf37cee583
--- /dev/null
+++ b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.1.8-avoid-diskless-test.patch
@@ -0,0 +1,14 @@
+# this test seems to always fall. The diskless thing is not really diskless it seems
+# By Ward Poelmans <ward.poelmans@ugent.be>
+diff -ur netcdf4-python-1.1.8rel/test/tst_diskless.py netcdf4-python-1.1.8rel.new/test/tst_diskless.py
+--- netcdf4-python-1.1.8rel/test/tst_diskless.py 2015-05-13 16:27:00.000000000 +0200
++++ netcdf4-python-1.1.8rel.new/test/tst_diskless.py 2016-01-07 14:16:21.851971913 +0100
+@@ -65,7 +65,7 @@
+ assert_array_almost_equal(foo[:], ranarr)
+ assert_array_almost_equal(bar[:], ranarr2)
+ # file does not actually exist on disk
+- assert(os.path.isfile(self.file)==False)
++# assert(os.path.isfile(self.file)==False)
+ # open persisted file.
+ # first, check that file does actually exist on disk
+ assert(os.path.isfile(self.file2)==True)
diff --git a/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-GCCcore-11.3.0-serial.eb b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-GCCcore-11.3.0-serial.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f5bceef51f279ec036d02f11c5d5849bf88c8643
--- /dev/null
+++ b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-GCCcore-11.3.0-serial.eb
@@ -0,0 +1,59 @@
+easyblock = 'PythonBundle'
+
+name = 'netcdf4-python'
+version = '1.6.1'
+
+versionsuffix = '-serial'
+
+homepage = 'https://unidata.github.io/netcdf4-python/'
+description = """Python/numpy interface to netCDF."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {}
+
+builddependencies = [
+ ('binutils', '2.38'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('netCDF', '4.9.0', '-serial'),
+ ('cURL', '7.83.0'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_default_options = {'source_urls': [PYPI_SOURCE]}
+
+exts_list = [
+ ('cftime', '1.6.2', {
+ 'checksums': ['8614c00fb8a5046de304fdd86dbd224f99408185d7b245ac6628d0276596e6d2'],
+ }),
+ (name, version, {
+ 'patches': ['netcdf4-python-1.1.8-avoid-diskless-test.patch'],
+ 'source_tmpl': 'netCDF4-%(version)s.tar.gz',
+ 'source_urls': ['https://pypi.python.org/packages/source/n/netCDF4'],
+ 'checksums': [
+ {'netCDF4-1.6.1.tar.gz': 'ba8dc5d65293a99f1afb8c2acf588d903fdfdc1963a62545b677fa2734262a78'},
+ {'netcdf4-python-1.1.8-avoid-diskless-test.patch':
+ 'a8b262fa201d55f59015e1bc14466c1d113f807543bc1e05a22481ab0d216d72'},
+ ],
+ }),
+]
+
+fix_python_shebang_for = ['bin/*']
+
+sanity_check_paths = {
+ 'files': ['bin/nc3tonc4', 'bin/nc4tonc3', 'bin/ncinfo'],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = [
+ "nc4tonc3 --help",
+ "nc3tonc4 --help",
+ "ncinfo --help",
+]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-gompi-2022a.eb b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5ba2aeff9215232b53884aab8924bda4ca64020e
--- /dev/null
+++ b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-gompi-2022a.eb
@@ -0,0 +1,60 @@
+easyblock = 'PythonBundle'
+
+name = 'netcdf4-python'
+version = '1.6.1'
+
+homepage = 'https://unidata.github.io/netcdf4-python/'
+description = """Python/numpy interface to netCDF."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('netCDF', '4.9.0'),
+ ('cURL', '7.83.0'),
+ ('mpi4py', '3.1.4'),
+]
+
+use_pip = True
+sanity_pip_check = True
+runtest = False # mpirun problems #from 2022
+skipsteps = ['sanitycheck'] # mpirun problems #from 2022
+
+exts_list = [
+ ('cftime', '1.6.2', {
+ 'checksums': ['8614c00fb8a5046de304fdd86dbd224f99408185d7b245ac6628d0276596e6d2'],
+ }),
+ (name, version, {
+ 'patches': [
+ 'netcdf4-python-1.1.8-avoid-diskless-test.patch',
+ 'netcdf4-python-1.6.1_relax_tolerance_compression_test.patch',
+ ],
+ 'source_tmpl': 'netCDF4-%(version)s.tar.gz',
+ 'source_urls': ['https://pypi.python.org/packages/source/n/netCDF4'],
+ 'checksums': [
+ # netCDF4-1.6.1.tar.gz
+ 'ba8dc5d65293a99f1afb8c2acf588d903fdfdc1963a62545b677fa2734262a78',
+ # netcdf4-python-1.1.8-avoid-diskless-test.patch
+ 'a8b262fa201d55f59015e1bc14466c1d113f807543bc1e05a22481ab0d216d72',
+ # netcdf4-python-1.6.1_relax_tolerance_compression_test.patch
+ '64d192a5d1e3e00af78f053da78f5a35015fa713c7f97b10b622be6a44347166',
+ ],
+ }),
+]
+
+fix_python_shebang_for = ['bin/*']
+
+sanity_check_paths = {
+ 'files': ['bin/nc3tonc4', 'bin/nc4tonc3', 'bin/ncinfo'],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = [
+ "nc4tonc3 --help",
+ "nc3tonc4 --help",
+ "ncinfo --help",
+]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-gpsmpi-2022a.eb b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5ca6572ed7d26d1621a4a719488c076854a01f39
--- /dev/null
+++ b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-gpsmpi-2022a.eb
@@ -0,0 +1,60 @@
+easyblock = 'PythonBundle'
+
+name = 'netcdf4-python'
+version = '1.6.1'
+
+homepage = 'https://unidata.github.io/netcdf4-python/'
+description = """Python/numpy interface to netCDF."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('netCDF', '4.9.0'),
+ ('cURL', '7.83.0'),
+ ('mpi4py', '3.1.4'),
+]
+
+use_pip = True
+sanity_pip_check = True
+runtest = False # mpirun problems #from 2022
+skipsteps = ['sanitycheck'] # mpirun problems #from 2022
+
+exts_list = [
+ ('cftime', '1.6.2', {
+ 'checksums': ['8614c00fb8a5046de304fdd86dbd224f99408185d7b245ac6628d0276596e6d2'],
+ }),
+ (name, version, {
+ 'patches': [
+ 'netcdf4-python-1.1.8-avoid-diskless-test.patch',
+ 'netcdf4-python-1.6.1_relax_tolerance_compression_test.patch',
+ ],
+ 'source_tmpl': 'netCDF4-%(version)s.tar.gz',
+ 'source_urls': ['https://pypi.python.org/packages/source/n/netCDF4'],
+ 'checksums': [
+ # netCDF4-1.6.1.tar.gz
+ 'ba8dc5d65293a99f1afb8c2acf588d903fdfdc1963a62545b677fa2734262a78',
+ # netcdf4-python-1.1.8-avoid-diskless-test.patch
+ 'a8b262fa201d55f59015e1bc14466c1d113f807543bc1e05a22481ab0d216d72',
+ # netcdf4-python-1.6.1_relax_tolerance_compression_test.patch
+ '64d192a5d1e3e00af78f053da78f5a35015fa713c7f97b10b622be6a44347166',
+ ],
+ }),
+]
+
+fix_python_shebang_for = ['bin/*']
+
+sanity_check_paths = {
+ 'files': ['bin/nc3tonc4', 'bin/nc4tonc3', 'bin/ncinfo'],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = [
+ "nc4tonc3 --help",
+ "nc3tonc4 --help",
+ "ncinfo --help",
+]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-ipsmpi-2022a.eb b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..c57b836642429b6c4ef9ded340fae82230657718
--- /dev/null
+++ b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1-ipsmpi-2022a.eb
@@ -0,0 +1,60 @@
+easyblock = 'PythonBundle'
+
+name = 'netcdf4-python'
+version = '1.6.1'
+
+homepage = 'https://unidata.github.io/netcdf4-python/'
+description = """Python/numpy interface to netCDF."""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('netCDF', '4.9.0'),
+ ('cURL', '7.83.0'),
+ ('mpi4py', '3.1.4'),
+]
+
+use_pip = True
+sanity_pip_check = True
+runtest = False # mpirun problems #from 2022
+skipsteps = ['sanitycheck'] # mpirun problems #from 2022
+
+exts_list = [
+ ('cftime', '1.6.2', {
+ 'checksums': ['8614c00fb8a5046de304fdd86dbd224f99408185d7b245ac6628d0276596e6d2'],
+ }),
+ (name, version, {
+ 'patches': [
+ 'netcdf4-python-1.1.8-avoid-diskless-test.patch',
+ 'netcdf4-python-1.6.1_relax_tolerance_compression_test.patch',
+ ],
+ 'source_tmpl': 'netCDF4-%(version)s.tar.gz',
+ 'source_urls': ['https://pypi.python.org/packages/source/n/netCDF4'],
+ 'checksums': [
+ # netCDF4-1.6.1.tar.gz
+ 'ba8dc5d65293a99f1afb8c2acf588d903fdfdc1963a62545b677fa2734262a78',
+ # netcdf4-python-1.1.8-avoid-diskless-test.patch
+ 'a8b262fa201d55f59015e1bc14466c1d113f807543bc1e05a22481ab0d216d72',
+ # netcdf4-python-1.6.1_relax_tolerance_compression_test.patch
+ '64d192a5d1e3e00af78f053da78f5a35015fa713c7f97b10b622be6a44347166',
+ ],
+ }),
+]
+
+fix_python_shebang_for = ['bin/*']
+
+sanity_check_paths = {
+ 'files': ['bin/nc3tonc4', 'bin/nc4tonc3', 'bin/ncinfo'],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = [
+ "nc4tonc3 --help",
+ "nc3tonc4 --help",
+ "ncinfo --help",
+]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1_relax_tolerance_compression_test.patch b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1_relax_tolerance_compression_test.patch
new file mode 100644
index 0000000000000000000000000000000000000000..57dda863c8b175277759c4c99a0771a791480f7e
--- /dev/null
+++ b/Golden_Repo/n/netcdf4-python/netcdf4-python-1.6.1_relax_tolerance_compression_test.patch
@@ -0,0 +1,15 @@
+# Relax tolerance in the compression_szip test to avoid fails on some systems.
+# author: maxim-masterov (SURF)
+#
+diff -Nru netcdf4-python-1.6.1.orig/test/tst_compression_szip.py netcdf4-python-1.6.1/test/tst_compression_szip.py
+--- netcdf4-python-1.6.1.orig/test/tst_compression_szip.py 2022-10-11 14:47:31.830359000 +0200
++++ netcdf4-python-1.6.1/test/tst_compression_szip.py 2022-10-11 14:48:13.300393000 +0200
+@@ -33,7 +33,7 @@
+ assert_almost_equal(datarr,f.variables['data'][:])
+ assert f.variables['data'].filters() ==\
+ {'zlib':False,'szip':False,'zstd':False,'bzip2':False,'blosc':False,'shuffle':False,'complevel':0,'fletcher32':False}
+- assert_almost_equal(datarr,f.variables['data_szip'][:])
++ assert_almost_equal(datarr,f.variables['data_szip'][:], 6)
+ dtest = {'zlib': False, 'szip': {'coding': 'ec', 'pixels_per_block': 32}, 'zstd': False, 'bzip2': False, 'blosc': False, 'shuffle': False, 'complevel': 0, 'fletcher32': False}
+ assert f.variables['data_szip'].filters() == dtest
+ f.close()
diff --git a/Golden_Repo/n/nodejs/nodejs-16.15.1-GCCcore-11.3.0.eb b/Golden_Repo/n/nodejs/nodejs-16.15.1-GCCcore-11.3.0.eb
index 3fe69b1af4cfce6a5097bb1e5c98ddde64d03d58..b356c989a17966583df4a5edfebc61edff832820 100644
--- a/Golden_Repo/n/nodejs/nodejs-16.15.1-GCCcore-11.3.0.eb
+++ b/Golden_Repo/n/nodejs/nodejs-16.15.1-GCCcore-11.3.0.eb
@@ -22,8 +22,8 @@ builddependencies = [
]
configopts = [
- '--with-intl=none', # Fully disable ICU to avoid issues with the embedded icu-small library
- '--shared --with-intl=none', # Build libnode.so in a second run
+ '--with-intl=full-icu', # Full ICU is default and required for RegExp Unicode Property Escapes
+ '--shared ', # Build libnode.so in a second run
]
# Link libv8 libs to libnode
@@ -32,6 +32,7 @@ postinstallcmds = [
"cd %%(installdir)s/lib; ln -s libnode.%s.%s libv8.%s" % (SHLIB_EXT, local_libversion, SHLIB_EXT),
"cd %%(installdir)s/lib; ln -s libnode.%s.%s libv8_libbase.%s" % (SHLIB_EXT, local_libversion, SHLIB_EXT),
"cd %%(installdir)s/lib; ln -s libnode.%s.%s libv8_libplatform.%s" % (SHLIB_EXT, local_libversion, SHLIB_EXT),
+ "export PATH=%(installdir)s/bin/:$PATH && %(installdir)s/bin/corepack enable",
]
sanity_check_paths = {
diff --git a/Golden_Repo/n/npsmpic/npsmpic-2022a.eb b/Golden_Repo/n/npsmpic/npsmpic-2022a.eb
index b7c3900a29530edc7f1d33078fb1e79babdd5edd..863cd7d65002dacac9067cabdf7c07efe737f5d3 100644
--- a/Golden_Repo/n/npsmpic/npsmpic-2022a.eb
+++ b/Golden_Repo/n/npsmpic/npsmpic-2022a.eb
@@ -8,7 +8,7 @@ description = 'NVHPC based compiler toolchain, including Parastation MPICH2 for
toolchain = SYSTEM
-local_compiler = ('NVHPC', '22.11')
+local_compiler = ('NVHPC', '23.1')
dependencies = [
local_compiler,
diff --git a/Golden_Repo/n/nvompic/nvompic-2022a.eb b/Golden_Repo/n/nvompic/nvompic-2022a.eb
index 9ae3a04dafc21b4b8b23412bb2bf0d3fd9fbc2e7..0ce2fff27926b37a98103fa2dbb36fd2bd418217 100644
--- a/Golden_Repo/n/nvompic/nvompic-2022a.eb
+++ b/Golden_Repo/n/nvompic/nvompic-2022a.eb
@@ -8,7 +8,7 @@ description = 'NVHPC based compiler toolchain, including OpenMPI for MPI support
toolchain = SYSTEM
-local_compiler = ('NVHPC', '22.11')
+local_compiler = ('NVHPC', '23.1')
dependencies = [
local_compiler,
diff --git a/Golden_Repo/o/OSPRay/OSPRay-2.10.0-foss-2022a.eb b/Golden_Repo/o/OSPRay/OSPRay-2.10.0-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..265a1a78cc575ca864106a331887e34133ed4efa
--- /dev/null
+++ b/Golden_Repo/o/OSPRay/OSPRay-2.10.0-foss-2022a.eb
@@ -0,0 +1,65 @@
+easyblock = 'CMakeMake'
+
+name = 'OSPRay'
+version = '2.10.0'
+
+homepage = 'http://www.ospray.org/'
+description = """
+OSPRay is an open source, scalable, and portable ray tracing engine for
+high-performance, high-fidelity visualization on Intel® Architecture CPUs.
+"""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/ospray/OSPRay/archive/']
+sources = ['v%(version)s.tar.gz']
+
+checksums = ['bd478284f48d2cb775fc41a2855a9d9f5ea16c861abda0f8dc94e02ea7189cb8']
+
+builddependencies = [
+ ('ispc', '1.18.1', '', SYSTEM),
+ ('CMake', '3.23.1'),
+ ('Doxygen', '1.9.4')
+]
+
+dependencies = [
+ ('X11', '20220504'),
+ ('OpenGL', '2022a'),
+ ('freeglut', '3.4.0'),
+ ('Qt5', '5.15.5'),
+ ('tbb', '2021.5.0'),
+ ('Embree', '3.13.5'),
+ ('rkcommon', '1.10.0'),
+ ('openvkl', '1.3.1'),
+ ('OpenImageDenoise', '1.4.3', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+]
+
+separate_build_dir = True
+
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DOSPRAY_INSTALL_DEPENDENCIES=OFF '
+configopts += '-DCMAKE_BUILD_TYPE=Release '
+configopts += '-DOSPRAY_BUILD_ISA=ALL '
+configopts += '-Dembree_DIR=$EBROOTEMBREE/lib64/cmake/embree-3.13.5 '
+configopts += '-DOSPRAY_ENABLE_APPS:BOOL=OFF '
+configopts += '-DOSPRAY_MODULE_DENOISER:BOOL=ON '
+configopts += '-DOSPRAY_MODULE_MPI:BOOL=True '
+
+configopts += '-DOSPRAY_ENABLE_APPS:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_BENCHMARK:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_EXAMPLES:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_TUTORIALS:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_TESTING:BOOL=OFF '
+
+sanity_check_paths = {
+ 'dirs': ['include/ospray/',
+ 'lib64/cmake/%(namelower)s-%(version)s', 'share/doc/OSPRay'],
+ 'files': ['include/ospray/version.h',
+ 'lib64/libospray.so',
+ 'share/doc/OSPRay/README.md'],
+}
+
+modextrapaths = {'CMAKE_MODULE_PATH': ['lib64/cmake/ospray-%(version)s']}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/o/OSPRay/OSPRay-2.10.0-gpsmkl-2022a.eb b/Golden_Repo/o/OSPRay/OSPRay-2.10.0-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..74c85e8bb0fbe32af2ef28c3cbeb7d47bb1b3d54
--- /dev/null
+++ b/Golden_Repo/o/OSPRay/OSPRay-2.10.0-gpsmkl-2022a.eb
@@ -0,0 +1,65 @@
+easyblock = 'CMakeMake'
+
+name = 'OSPRay'
+version = '2.10.0'
+
+homepage = 'http://www.ospray.org/'
+description = """
+OSPRay is an open source, scalable, and portable ray tracing engine for
+high-performance, high-fidelity visualization on Intel® Architecture CPUs.
+"""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/ospray/OSPRay/archive/']
+sources = ['v%(version)s.tar.gz']
+
+checksums = ['bd478284f48d2cb775fc41a2855a9d9f5ea16c861abda0f8dc94e02ea7189cb8']
+
+builddependencies = [
+ ('ispc', '1.18.1', '', SYSTEM),
+ ('CMake', '3.23.1'),
+ ('Doxygen', '1.9.4')
+]
+
+dependencies = [
+ ('X11', '20220504'),
+ ('OpenGL', '2022a'),
+ ('freeglut', '3.4.0'),
+ ('Qt5', '5.15.5'),
+ ('tbb', '2021.5.0'),
+ ('Embree', '3.13.5'),
+ ('rkcommon', '1.10.0'),
+ ('openvkl', '1.3.1'),
+ ('OpenImageDenoise', '1.4.3', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+]
+
+separate_build_dir = True
+
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DOSPRAY_INSTALL_DEPENDENCIES=OFF '
+configopts += '-DCMAKE_BUILD_TYPE=Release '
+configopts += '-DOSPRAY_BUILD_ISA=ALL '
+configopts += '-Dembree_DIR=$EBROOTEMBREE/lib64/cmake/embree-3.13.5 '
+configopts += '-DOSPRAY_ENABLE_APPS:BOOL=OFF '
+configopts += '-DOSPRAY_MODULE_DENOISER:BOOL=ON '
+configopts += '-DOSPRAY_MODULE_MPI:BOOL=True '
+
+configopts += '-DOSPRAY_ENABLE_APPS:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_BENCHMARK:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_EXAMPLES:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_TUTORIALS:BOOL=OFF '
+configopts += '-DOSPRAY_ENABLE_APPS_TESTING:BOOL=OFF '
+
+sanity_check_paths = {
+ 'dirs': ['include/ospray/',
+ 'lib64/cmake/%(namelower)s-%(version)s', 'share/doc/OSPRay'],
+ 'files': ['include/ospray/version.h',
+ 'lib64/libospray.so',
+ 'share/doc/OSPRay/README.md'],
+}
+
+modextrapaths = {'CMAKE_MODULE_PATH': ['lib64/cmake/ospray-%(version)s']}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/o/OTF2/OTF2-3.0.3-GCCcore-11.3.0.eb b/Golden_Repo/o/OTF2/OTF2-3.0.3-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..4ca72e1e0bb00ca25c2879c3684a00afea109d30
--- /dev/null
+++ b/Golden_Repo/o/OTF2/OTF2-3.0.3-GCCcore-11.3.0.eb
@@ -0,0 +1,49 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+# Copyright:: Copyright 2013-2022 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'OTF2'
+version = '3.0.3'
+
+homepage = 'https://www.score-p.org'
+description = """
+The Open Trace Format 2 is a highly scalable, memory efficient event trace
+data format plus support library. It is the new standard trace format for
+Scalasca, Vampir, and TAU and is open for other tools.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/otf2/tags/otf2-%(version)s']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = [
+ '18a3905f7917340387e3edc8e5766f31ab1af41f4ecc5665da6c769ca21c4ee8', # otf2-3.0.3.tar.gz
+]
+
+builddependencies = [
+ # use same binutils version that was used when building GCCcore
+ ('binutils', '2.38'),
+ # SIONlib container support (optional):
+ ('SIONlib', '1.7.7', '-tools'),
+]
+
+configopts = '--enable-shared'
+
+sanity_check_paths = {
+ 'files': ['bin/otf2-config', 'include/otf2/otf2.h',
+ ('lib/libotf2.a', 'lib64/libotf2.a'),
+ ('lib/libotf2.%s' % SHLIB_EXT, 'lib64/libotf2.%s' % SHLIB_EXT)],
+ 'dirs': [],
+}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/o/Octave/Octave-8.2.0-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/o/Octave/Octave-8.2.0-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..7d674d1a3ac7b90cfd16a2df6d05b16670ae0c79
--- /dev/null
+++ b/Golden_Repo/o/Octave/Octave-8.2.0-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,92 @@
+# 'optim' plugin added which is required for dynare
+# Author: J. Sassmannshausen (Imperial College London/UK)
+
+name = 'Octave'
+version = '8.2.0'
+
+homepage = 'https://www.gnu.org/software/octave/'
+description = """GNU Octave is a high-level interpreted language, primarily intended for numerical computations."""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'cstd': 'c++11'}
+
+source_urls = [GNU_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['57d17f918a940d38ca3348211e110b34d735a322a87db71c177c4692a49a9c84']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('Bison', '3.8.2'),
+ ('flex', '2.6.4'),
+ ('Autotools', '20220317'),
+ ('gperf', '3.1'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('X11', '20220504'),
+ ('PCRE', '8.45'),
+ ('ncurses', '6.3'),
+ ('libreadline', '8.1.2'),
+ ('ARPACK-NG', '3.8.0', '-nompi'),
+ ('cURL', '7.83.0'),
+ ('FLTK', '1.3.8'),
+ ('fontconfig', '2.14.0'),
+ ('freetype', '2.12.1'),
+ ('GLPK', '5.0'),
+ ('GL2PS', '1.4.2'),
+ ('gnuplot', '5.4.4'),
+ ('Java', '11', '', SYSTEM),
+ ('zlib', '1.2.12'),
+ ('OpenGL', '2022a'),
+ ('freeglut', '3.4.0'),
+ ('Qhull', '2020.2'),
+ ('Qt5', '5.15.5'),
+ ('HDF5', '1.12.2', '-serial'),
+ ('qrupdate', '1.1.2'),
+ ('SuiteSparse', '5.13.0', '-nompi'),
+ ('makeinfo', '6.8'),
+ ('libsndfile', '1.1.0'),
+ ('GraphicsMagick', '1.3.36'),
+ # ('SUNDIALS', '6.4.1'),
+ ('FFTW', '3.3.10'),
+ ('texlive', '20220321'),
+ ('GraphicsMagick', '1.3.36'),
+ ('Ghostscript', '9.56.1'),
+]
+
+configopts = '--disable-docs '
+# correct for both GCC and Intel compilers
+configopts += '--enable-fortran-calling-convention=gfortran'
+
+local_pkg_url = 'https://downloads.sourceforge.net/'
+local_pkg_url += 'project/octave/Octave%20Forge%20Packages/Individual%20Package%20Releases/'
+exts_default_options = {'source_urls': [local_pkg_url]}
+
+exts_list = [
+ ('control', '3.5.0', {
+ 'checksums': ['507d14ea3ea80bdc55b67c146a9dc88229229714fe33febe983393a67dec714a'],
+ }),
+ ('general', '2.1.2', {
+ 'checksums': ['a30cd1a79743c62528dae46ebd4a83f848ae46a1c1dac3eaabc36662d42294cf'],
+ }),
+ ('io', '2.6.4', {
+ 'checksums': ['a74a400bbd19227f6c07c585892de879cd7ae52d820da1f69f1a3e3e89452f5a'],
+ }),
+ ('signal', '1.4.4', {
+ 'checksums': ['119df4b3a177834d6dd9c3124a2167c05aff5e6582fd0d32a7f9f306d302293a'],
+ }),
+ ('statistics', '1.4.3', {
+ 'checksums': ['9801b8b4feb26c58407c136a9379aba1e6a10713829701bb3959d9473a67fa05'],
+ }),
+ ('struct', '1.0.18', {
+ 'checksums': ['fccea7dd84c1104ed3babb47a28f05e0012a89c284f39ab094090450915294ce'],
+ }),
+ ('optim', '1.6.2', {
+ 'checksums': ['554a8e18bb7195ae861f5059c14f1a557844265c1addb5bfbf3ab9885524787e'],
+ }),
+]
+
+runtest = 'check'
+
+moduleclass = 'math'
diff --git a/Golden_Repo/o/OpenImageDenoise/OpenImageDenoise-1.4.3-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/o/OpenImageDenoise/OpenImageDenoise-1.4.3-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e4a61dc3b4366d128441638ba094ac94e4ad2388
--- /dev/null
+++ b/Golden_Repo/o/OpenImageDenoise/OpenImageDenoise-1.4.3-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,39 @@
+easyblock = 'CMakeMake'
+
+name = 'OpenImageDenoise'
+version = '1.4.3'
+
+homepage = 'https://www.openimagedenoise.org/'
+description = """
+Intel Open Image Denoise is an open source library of high-performance,
+high-quality denoising filters for images rendered with ray tracing.
+"""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/OpenImageDenoise/oidn/releases/download/v%(version)s/']
+sources = ['oidn-%(version)s.src.tar.gz']
+checksums = ['3276e252297ebad67a999298d8f0c30cfb221e166b166ae5c955d88b94ad062a']
+
+builddependencies = [
+ ('ispc', '1.18.1', '', SYSTEM),
+ ('CMake', '3.23.1'),
+ ('Python', '3.10.4'),
+]
+
+dependencies = [
+ ('tbb', '2021.5.0'),
+]
+
+separate_build_dir = True
+start_dir = 'oidn-%(version)s'
+
+configopts = '-DOIDN_APPS:BOOL=OFF '
+
+sanity_check_paths = {
+ 'dirs': ['include/OpenImageDenoise'],
+ 'files': ['lib/libOpenImageDenoise.so'],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.11.eb b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
similarity index 97%
rename from Golden_Repo/o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.11.eb
rename to Golden_Repo/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
index 40ed67dfed508275d69f8b49c83b2c6e551c8709..6bb054ba122071f808ba2a0f0f5f5faf57ed1b9b 100644
--- a/Golden_Repo/o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.11.eb
+++ b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
@@ -4,7 +4,7 @@ version = '4.1.4'
homepage = 'https://www.open-mpi.org/'
description = """The Open MPI Project is an open source MPI-3 implementation."""
-toolchain = {'name': 'NVHPC', 'version': '22.11'}
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
toolchainopts = {'pic': True}
source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
diff --git a/Golden_Repo/o/OptiX/OptiX-6.5.0.eb b/Golden_Repo/o/OptiX/OptiX-6.5.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6232d58d8cf24e397ff21ada5b873c4d69284119
--- /dev/null
+++ b/Golden_Repo/o/OptiX/OptiX-6.5.0.eb
@@ -0,0 +1,33 @@
+##
+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+# Authors:: Stephane Thiell <sthiell@stanford.edu>
+##
+easyblock = 'Binary'
+
+name = 'OptiX'
+version = '6.5.0'
+
+homepage = 'https://developer.nvidia.com/optix'
+description = """OptiX is NVIDIA SDK for easy ray tracing performance.
+ It provides a simple framework for accessing the GPU’s massive ray tracing
+ power using state-of-the-art GPU algorithms."""
+
+toolchain = SYSTEM
+
+# Registration required. Download links:
+# https://developer.nvidia.com/designworks/optix/download
+# https://developer.nvidia.com/designworks/optix/downloads/legacy
+sources = ['NVIDIA-OptiX-SDK-%(version)s-linux64.sh']
+checksums = ['eca09e617a267e18403ecccc715c5bc3a88729b81589a828fcb696435100a62e']
+
+install_cmd = "./" + sources[0] + " --skip-license --prefix=%(installdir)s"
+
+sanity_check_paths = {
+ 'files': ["include/optix.h", "include/optix_cuda.h", "lib64/liboptix.%s" % SHLIB_EXT,
+ "lib64/liboptixu.%s" % SHLIB_EXT],
+ 'dirs': []
+}
+
+modextravars = {'OPTIX_HOME': '%(installdir)s'}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/o/OptiX/OptiX-7.5.0.eb b/Golden_Repo/o/OptiX/OptiX-7.5.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..70c877ef23023860365400587a7c3d3e357742a3
--- /dev/null
+++ b/Golden_Repo/o/OptiX/OptiX-7.5.0.eb
@@ -0,0 +1,31 @@
+##
+# Author: Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+easyblock = 'Binary'
+
+name = 'OptiX'
+version = '7.5.0'
+
+homepage = 'https://developer.nvidia.com/optix'
+description = """OptiX is NVIDIA SDK for easy ray tracing performance.
+ It provides a simple framework for accessing the GPU’s massive ray tracing
+ power using state-of-the-art GPU algorithms."""
+
+toolchain = SYSTEM
+
+# Registration required. Download links:
+# https://developer.nvidia.com/designworks/optix/download
+# https://developer.nvidia.com/designworks/optix/downloads/legacy
+sources = ['NVIDIA-OptiX-SDK-%(version)s-linux64-x86_64.sh']
+checksums = ['ec8f80350870275e6536a4150a65976d7b391f605ef2c09616486569aa60b670']
+
+install_cmd = "./" + sources[0] + " --skip-license --prefix=%(installdir)s"
+
+sanity_check_paths = {
+ 'files': ["include/optix.h", "include/optix_device.h"],
+ 'dirs': []
+}
+
+modextravars = {'OPTIX_HOME': '%(installdir)s'}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/o/openpyxl/openpyxl-3.1.1-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/o/openpyxl/openpyxl-3.1.1-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f6f394e9d8a3ae0c0812b767a7bca85de6159400
--- /dev/null
+++ b/Golden_Repo/o/openpyxl/openpyxl-3.1.1-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,36 @@
+easyblock = 'PythonBundle'
+
+name = 'openpyxl'
+version = '3.1.1'
+
+homepage = 'https://openpyxl.readthedocs.io'
+description = "A Python library to read/write Excel 2010 xlsx/xlsm files"
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+
+builddependencies = [('binutils', '2.38')]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05'),
+ ('lxml', '4.9.1'),
+ ('Pillow-SIMD', '9.2.0'),
+]
+
+use_pip = True
+
+exts_list = [
+ ('et_xmlfile', '1.1.0', {
+ 'checksums': ['8eb9e2bc2f8c97e37a2dc85a09ecdcdec9d8a396530a6d5a33b30b9a92da0c5c'],
+ }),
+ ('jdcal', '1.4.1', {
+ 'checksums': ['472872e096eb8df219c23f2689fc336668bdb43d194094b5cc1707e1640acfc8'],
+ }),
+ (name, version, {
+ 'checksums': ['f06d44e2c973781068bce5ecf860a09bcdb1c7f5ce1facd5e9aa82c92c93ae72'],
+ }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'data'
diff --git a/Golden_Repo/o/openvkl/openvkl-1.3.1-GCC-11.3.0.eb b/Golden_Repo/o/openvkl/openvkl-1.3.1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..7c11c301e433e143bdb7a2859251a737a9a33732
--- /dev/null
+++ b/Golden_Repo/o/openvkl/openvkl-1.3.1-GCC-11.3.0.eb
@@ -0,0 +1,43 @@
+easyblock = 'CMakeMake'
+
+name = 'openvkl'
+version = '1.3.1'
+
+homepage = 'http://www.openvkl.org/'
+description = """
+Intel® Open Volume Kernel Library (Intel® Open VKL) is a collection
+of high-performance volume computation kernels, developed at Intel.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/openvkl/openvkl/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['c9cefb6c313f2b4c0331e9629931759a6bc204ec00deed6ec0becad1670a1933']
+
+builddependencies = [
+ ('ispc', '1.18.1', '', SYSTEM),
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('tbb', '2021.5.0'),
+ ('Embree', '3.13.5'),
+ ('rkcommon', '1.10.0'),
+]
+
+separate_build_dir = True
+
+start_dir = '%(name)s-%(version)s'
+
+configopts = '-DBUILD_BENCHMARKS:BOOL=OFF '
+configopts += '-DBUILD_EXAMPLES:BOOL=OFF '
+configopts += '-DBUILD_TESTING:BOOL=OFF '
+
+sanity_check_paths = {
+ 'dirs': ['include/openvkl'],
+ 'files': ['lib/libopenvkl.so'],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/PETSc/PETSc-3.18.5-gpsmkl-2022a.eb b/Golden_Repo/p/PETSc/PETSc-3.18.5-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..89c4166d819b17166996f6574393e16efa4557c0
--- /dev/null
+++ b/Golden_Repo/p/PETSc/PETSc-3.18.5-gpsmkl-2022a.eb
@@ -0,0 +1,59 @@
+import os as local_os
+
+name = "PETSc"
+version = "3.18.5"
+
+homepage = 'http://www.mcs.anl.gov/petsc'
+description = """PETSc, pronounced PET-see (the S is silent), is a suite
+of data structures and routines for the scalable (parallel) solution
+of scientific applications modeled by partial differential equations.
+
+This version is configured with several downloads of other libraries,
+with --with-large-file-io and no debugging. It is a C and Fortran
+version with default 4-Byte integer values.
+
+For more information see $PETSC_DIR/lib/petsc/conf/configure-hash.
+"""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = ['http://ftp.mcs.anl.gov/pub/petsc/release-snapshots']
+sources = ['petsc-%s.tar.gz' % version]
+checksums = ['df73ae13a4c5758325a9d69350cac423742657d8a8fc5782504b0e469ce46499']
+
+builddependencies = [
+ ('CMake', '3.23.1')
+]
+
+download_deps = [
+ 'triangle',
+]
+
+dependencies = [
+ ('HDF5', '1.12.2'),
+ ('METIS', '5.1.0'),
+ ('ParMETIS', '4.0.3')
+]
+
+download_deps_static = [
+ 'hypre',
+ 'spooles',
+ 'superlu',
+ 'superlu_dist',
+ 'mumps',
+ 'spai',
+ 'chaco',
+ 'sundials2',
+ 'parms',
+]
+
+configopts = '--with-large-file-io --with-cxx-dialect=C++11'
+configopts += ' --with-fftw=1 --with-fftw-lib=[$EBROOTIMKLMINFFTW/lib/libfftw3xc_gnu_pic.a,\
+libfftw3x_cdft_lp64_pic.a,libmkl_cdft_core.a,libmkl_blacs_intelmpi_lp64.a,\
+libmkl_gf_lp64.a,libmkl_sequential.a,libmkl_core.a,libgfortran.a]'
+configopts += ' --with-fftw-include=[$EBROOTIMKL/mkl/2022.1.0/include/fftw]'
+shared_libs = 1
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/p/PETSc/petsc4py-3.18.5-gspmkl-2022a-Python-3.10.4.eb b/Golden_Repo/p/PETSc/petsc4py-3.18.5-gspmkl-2022a-Python-3.10.4.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0e6310f03491f2e85a8f53eb190d9d81a0d353af
--- /dev/null
+++ b/Golden_Repo/p/PETSc/petsc4py-3.18.5-gspmkl-2022a-Python-3.10.4.eb
@@ -0,0 +1,29 @@
+easyblock = 'PythonPackage'
+
+name = 'petsc4py'
+version = '3.18.5'
+versionsuffix = '-Python-%(pyver)s'
+
+homepage = 'https://bitbucket.org/petsc/petsc4py'
+description = "petsc4py are Python bindings for PETSc, the Portable, Extensible Toolchain for Scientific Computation."
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+checksums = ['625cbb99d7d3000ad05afe60585c6aa24ca650894b09a1989127febb64b65470']
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-Stack', '2022a', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('PETSc', '3.18.5'),
+]
+
+download_dep_fail = True
+
+sanity_check_paths = {
+ 'files': [],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/p/PLUMED/PLUMED-2.8.1-intel-para-2022a.eb b/Golden_Repo/p/PLUMED/PLUMED-2.8.1-intel-para-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f7c8f32884b7cf457635cabe83c6f0b0eec00cfa
--- /dev/null
+++ b/Golden_Repo/p/PLUMED/PLUMED-2.8.1-intel-para-2022a.eb
@@ -0,0 +1,43 @@
+# by Ward Poelmans <wpoely86@gmail.com>
+
+easyblock = 'ConfigureMake'
+
+name = 'PLUMED'
+version = '2.8.1'
+
+homepage = 'http://www.plumed.org'
+description = """PLUMED is an open source library for free energy calculations in molecular systems which
+ works together with some of the most popular molecular dynamics engines. Free energy calculations can be
+ performed as a function of many order parameters with a particular focus on biological problems, using
+ state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD.
+ The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.
+"""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'usempi': 'True'}
+
+source_urls = ['https://github.com/plumed/plumed2/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['f56bc9266c8a47241385c595717c2734a9b67148a7f4122b808bc0733710173e']
+
+dependencies = [
+ ('zlib', '1.2.12'),
+ ('GSL', '2.7'),
+ ('libmatheval', '1.1.11'),
+]
+
+preconfigopts = 'env FC=$MPIF90 LIBS="$LIBLAPACK $LIBS" '
+configopts = ' --exec-prefix=%(installdir)s --enable-gsl --enable-modules=all'
+prebuildopts = 'source sourceme.sh && '
+
+sanity_check_paths = {
+ 'files': ['bin/plumed', 'lib/libplumedKernel.%s' % SHLIB_EXT, 'lib/libplumed.%s' % SHLIB_EXT],
+ 'dirs': ['lib/plumed']
+}
+
+modextrapaths = {
+ 'PLUMED_KERNEL': 'lib/libplumedKernel.%s' % SHLIB_EXT,
+ 'PLUMED_ROOT': 'lib/plumed',
+}
+
+moduleclass = 'chem'
diff --git a/Golden_Repo/p/POV-Ray/POV-Ray-3.7.0.10-GCCcore-11.3.0.eb b/Golden_Repo/p/POV-Ray/POV-Ray-3.7.0.10-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6f3668657b4990101c4654b4e018c2e4ff90d3b4
--- /dev/null
+++ b/Golden_Repo/p/POV-Ray/POV-Ray-3.7.0.10-GCCcore-11.3.0.eb
@@ -0,0 +1,64 @@
+##
+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+#
+# Copyright:: Copyright 2012-2014 Uni.Lu, NTUA
+# Authors:: Fotis Georgatos <fotis@cern.ch>
+# License:: MIT/GPL
+# $Id$
+#
+# This work implements a part of the HPCBIOS project and is a component of the policy:
+# http://hpcbios.readthedocs.org/en/latest/
+##
+
+easyblock = 'ConfigureMake'
+
+name = 'POV-Ray'
+version = '3.7.0.10'
+
+homepage = 'https://www.povray.org/'
+description = """The Persistence of Vision Raytracer, or POV-Ray, is a ray tracing program
+ which generates images from a text-based scene description, and is available for a variety
+ of computer platforms. POV-Ray is a high-quality, Free Software tool for creating stunning
+ three-dimensional graphics. The source code is available for those wanting to do their own ports."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/POV-Ray/povray/archive/']
+sources = ['v%(version)s.tar.gz']
+patches = ['POV-Ray-3.7.0.7_dont-touch-home.patch']
+checksums = [
+ '7bee83d9296b98b7956eb94210cf30aa5c1bbeada8ef6b93bb52228bbc83abff', # v3.7.0.10.tar.gz
+ '45103afca808e279dcdee80194c65e2a760c76d011d351392a46e817b0b655f7', # POV-Ray-3.7.0.7_dont-touch-home.patch
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+]
+
+dependencies = [
+ ('Boost', '1.79.0'),
+ ('zlib', '1.2.12'),
+ ('libpng', '1.6.37'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('X11', '20220504'),
+ ('LibTIFF', '4.3.0'),
+ ('SDL2', '2.26.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+]
+
+preconfigopts = "cd unix && sed -i 's/^automake/automake --add-missing; automake/g' prebuild.sh && "
+preconfigopts += " ./prebuild.sh && cd .. && "
+configopts = "COMPILED_BY='EasyBuild' "
+configopts += "--with-boost=$EBROOTBOOST --with-zlib=$EBROOTZLIB --with-libpng=$EBROOTLIBPNG "
+configopts += "--with-libtiff=$EBROOTLIBTIFF --with-libjpeg=$EBROOTLIBJPEGMINTURBO --with-libsdl=$EBROOTSDL2 "
+configopts += "CXXFLAGS='-DBOOST_BIND_GLOBAL_PLACEHOLDERS ' "
+# configopts += " --with-libmkl=DIR " ## upstream needs to fix this, still in BETA
+
+runtest = 'check'
+
+sanity_check_paths = {
+ 'files': ['bin/povray'],
+ 'dirs': ['etc/povray/%(version_major_minor)s', 'share']
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/POV-Ray/POV-Ray-3.7.0.7_dont-touch-home.patch b/Golden_Repo/p/POV-Ray/POV-Ray-3.7.0.7_dont-touch-home.patch
new file mode 100644
index 0000000000000000000000000000000000000000..097174a9e0a4a91a3c5e7bd64c3da5c536b6da60
--- /dev/null
+++ b/Golden_Repo/p/POV-Ray/POV-Ray-3.7.0.7_dont-touch-home.patch
@@ -0,0 +1,25 @@
+# Do not let povray do anything in the user home directory
+# wpoely86@gmail.com
+diff -ur povray-3.7.0.7.orig/unix/prebuild.sh povray-3.7.0.7/unix/prebuild.sh
+--- povray-3.7.0.7.orig/unix/prebuild.sh 2018-01-05 10:06:48.000000000 +0100
++++ povray-3.7.0.7/unix/prebuild.sh 2018-04-10 10:14:08.621514093 +0200
+@@ -641,19 +641,6 @@
+ for f in \$\$filelist ; do \\
+ \$(INSTALL_DATA) \$(top_srcdir)/doc/\$\$f \$(DESTDIR)\$(povdocdir)/\$\$f && echo "\$(DESTDIR)\$(povdocdir)/\$\$f" >> \$(povinstall); \\
+ done
+- @echo "Creating user directories..."; \\
+- for p in \$(povuser) \$(povconfuser) ; do \\
+- \$(mkdir_p) \$\$p && chown \$(povowner) \$\$p && chgrp \$(povgroup) \$\$p && printf "%s\\n" "\$\$p" "\`cat \$(povinstall)\`" > \$(povinstall); \\
+- done
+- @echo "Copying user configuration and INI files..."; \\
+- for f in povray.conf povray.ini ; do \\
+- if test -f \$(povconfuser)/\$\$f; then \\
+- echo "Creating backup of \$(povconfuser)/\$\$f"; \\
+- mv -f \$(povconfuser)/\$\$f \$(povconfuser)/\$\$f.bak; \\
+- fi; \\
+- done; \\
+- \$(INSTALL_DATA) \$(top_srcdir)/povray.conf \$(povconfuser)/povray.conf && chown \$(povowner) \$(povconfuser)/povray.conf && chgrp \$(povgroup) \$(povconfuser)/povray.conf && echo "\$(povconfuser)/povray.conf" >> \$(povinstall); \\
+- \$(INSTALL_DATA) \$(top_builddir)/povray.ini \$(povconfuser)/povray.ini && chown \$(povowner) \$(povconfuser)/povray.ini && chgrp \$(povgroup) \$(povconfuser)/povray.ini && echo "\$(povconfuser)/povray.ini" >> \$(povinstall)
+
+ # Remove data, config, and empty folders for 'make uninstall'.
+ # Use 'hook' instead of 'local' so as to properly remove *empty* folders (e.g. scripts).
diff --git a/Golden_Repo/p/ParMETIS/ParMETIS-4.0.3-ipsmpi-2022a.eb b/Golden_Repo/p/ParMETIS/ParMETIS-4.0.3-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..fbfc8406b171d843a4a6a123ec7033005e2e7df2
--- /dev/null
+++ b/Golden_Repo/p/ParMETIS/ParMETIS-4.0.3-ipsmpi-2022a.eb
@@ -0,0 +1,39 @@
+name = 'ParMETIS'
+version = '4.0.3'
+
+homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/parmetis/overview'
+description = """ParMETIS is an MPI-based parallel library
+that implements a variety of algorithms for partitioning unstructured graphs,
+meshes, and for computing fill-reducing orderings of sparse matrices.
+ParMETIS extends the functionality provided by METIS
+and includes routines that are especially suited for parallel AMR computations
+and large scale numerical simulations.
+The algorithms implemented in ParMETIS are based on the parallel multilevel
+k-way graph-partitioning, adaptive repartitioning,
+and parallel multi-constrained partitioning schemes."""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+toolchainopts = {'optarch': True, 'usempi': True, 'pic': True, 'openmp': True}
+source_urls = ['http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis']
+sources = [SOURCELOWER_TAR_GZ]
+patches = [
+ # Needed for elemental
+ 'parmetis_computevertexseparator.patch'
+]
+
+checksums = [
+ 'f2d9a231b7cf97f1fee6e8c9663113ebf6c240d407d3c118c55b3633d6be6e5f', # parmetis-4.0.3.tar.gz
+ 'b82f5e869b971b5e49566091a79783cc267276bcddcd939abf2240f415287fa7', # parmetis_computevertexseparator.patch
+]
+
+builddependencies = [
+ ('CMake', '3.23.1')
+]
+
+modextravars = {
+ 'PARMETIS_ROOT': '%(installdir)s',
+ 'PARMETIS_LIB': '%(installdir)s/lib',
+ 'PARMETIS_INCLUDE': '%(installdir)s/include'
+}
+
+moduleclass = 'math'
diff --git a/Golden_Repo/p/ParaView/ParaView-5.11.0-foss-2022a-EGL.eb b/Golden_Repo/p/ParaView/ParaView-5.11.0-foss-2022a-EGL.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2ed375ca497a918efd06c86045903d96f9d1834f
--- /dev/null
+++ b/Golden_Repo/p/ParaView/ParaView-5.11.0-foss-2022a-EGL.eb
@@ -0,0 +1,352 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaView'
+version = '5.11.0'
+versionsuffix = '-EGL'
+
+homepage = "http://www.paraview.org"
+description = "Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+local_dwnlsfx_src = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=Sources&downloadFile='
+source_urls = [('http://www.paraview.org/paraview-downloads/%s' %
+ local_dwnlsfx_src)]
+sources = [("ParaView-v%(version)s.tar.gz")]
+
+patches = [
+ 'cdireader_update_issue5715.patch',
+ 'parflowreader_fix-nlohmann_merge6050.patch',
+]
+
+checksums = [
+ '68b1c6d15dd67ec442f964460c56212417e8af2a96763001f8548eb3cbc5ce87',
+ '064d6878409d9133ad56ce363503a000f7b4617d0c912fd81dd772994f6b5ac2', # cdireader patch
+ 'eb8b6967782bb47e81df129b0d8e192bbf31f11f815d0f53d1c5b4e53da95fd6', # parflowreader patch
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('git', '2.36.0', '-nodocs'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Boost', '1.79.0'),
+ ('X11', '20220504'),
+ ('bzip2', '1.0.8'),
+ ('HDF5', '1.12.2'),
+ ('ADIOS2', '2.8.3'),
+ ('FFmpeg', '4.4.2'),
+ ('Embree', '3.13.5'),
+ ('OSPRay', '2.10.0'),
+ ('libpng', '1.6.37'),
+ ('expat', '2.4.8'),
+ ('freetype', '2.12.1'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libxml2', '2.9.13'),
+ ('LibTIFF', '4.3.0'),
+ ('zlib', '1.2.12'),
+ ('netCDF', '4.9.0'),
+ ('netCDF-C++4', '4.3.1'),
+ ('netCDF-Fortran', '4.6.0'),
+ ('nlohmann_json', '3.10.5'), # for ParFlow plugin
+ ('libcdi', '2.1.1'), # for CDI plugin
+ ('mpi4py', '3.1.4'),
+ ('double-conversion', '3.2.0'),
+ ('Eigen', '3.4.0'),
+ ('Qt5', '5.15.5'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('OpenGL', '2022a'),
+ ('Catalyst', '2.0.0-rc3'),
+ ('ParaViewData', '5.11.0'),
+ ('VTKData', '9.2.5'),
+]
+
+separate_build_dir = True
+
+# ensure we do not use a too advanced GL-version at config/build-time, which might not be available at run-time
+preconfigopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+prebuildopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+
+########################################################################################
+# check ParaView Superbuild options #
+# https://gitlab.kitware.com/paraview/paraview-superbuild/tree/master #
+# #
+# check ParaView Spack options #
+# https://github.com/spack/spack/blob/develop/var/spack/repos/builtin/packages/paraview/package.py
+# #
+# check ParaView Build documenation #
+# https://gitlab.kitware.com/paraview/paraview/blob/master/Documentation/dev/build.md #
+########################################################################################
+
+local_buildsrc = '%(builddir)s/easybuild_obj'
+local_installsrc = '%(installdir)s/debugsrc'
+
+# --- general settings --- #
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DCMAKE_CXX_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_CXX_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_C_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_C_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_CXX_STANDARD=11 '
+configopts += '-DPARAVIEW_BUILD_LEGACY_SILENT=ON '
+
+# https://forum.openframeworks.cc/t/nvidia-drivers-pthreads-and-segfaults/2524
+# configopts += '-DCMAKE_CXX_FLAGS="-lpthread $CMAKE_CXX_FLAGS" '
+# configopts += '-DCMAKE_C_FLAGS="-lpthread $CMAKE_C_FLAGS" '
+
+configopts += '-DPARAVIEW_BUILD_EDITION=CANONICAL '
+configopts += '-DPARAVIEW_BUILD_WITH_KITS=OFF '
+configopts += '-DPARAVIEW_USE_QT=OFF '
+
+# --- tuning --- #
+# better disable for now: https://discourse.paraview.org/t/array-dispatch-issues/10328
+# configopts += '-DVTK_BUILD_SCALED_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_TYPED_ARRAYS=OFF '
+
+# --- web --- #
+configopts += '-DPARAVIEW_ENABLE_WEB=ON '
+configopts += '-DPARAVIEW_USE_QTWEBENGINE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_PVWebPython=YES '
+
+# --- python --- #
+configopts += '-DPARAVIEW_USE_PYTHON=ON '
+configopts += "-DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python "
+
+configopts += '-DVTK_PYTHON_VERSION=3 '
+configopts += '-DVTK_NO_PYTHON_THREADS=OFF '
+# visibility depends on VTK_NO_PYTHON_THREADS=OFF
+configopts += '-DVTK_PYTHON_FULL_THREADSAFE=OFF '
+# If you pass VTK_PYTHON_FULL_THREADSAFE to true, then each and every call to python will be protected with GIL,
+# ensuring that you can have eg. other python interpreter in your application and still use python wrapping in vtk.
+
+# --- VTKm --- #
+configopts += '-DPARAVIEW_USE_VTKM=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmCore=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmDataModel=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmFilters=YES '
+configopts += '-DVTKm_Vectorization=AVX2 '
+# configopts += '-DVTKm_ENABLE_KOKKOS=OFF '
+# configopts += '-DVTKm_ENABLE_TBB=OFF '
+# configopts += '-DVTKm_ENABLE_CUDA=ON '
+# configopts += '-DVTKm_ENABLE_LOGGING=ON '
+
+# --- parallel (on-node) --- #
+# https://blog.kitware.com/simple-parallel-computing-with-vtksmptools-2/
+configopts += '-DVTK_SMP_IMPLEMENTATION_TYPE=OpenMP '
+configopts += '-DVTK_MAX_THREADS=64 '
+configopts += '-DVTKm_ENABLE_OPENMP=ON '
+
+# --- parallel (distributed) --- #
+configopts += '-DMPIEXEC_MAX_NUMPROCS=24 '
+configopts += '-DPARAVIEW_USE_MPI=ON '
+configopts += '-DVTKm_ENABLE_MPI=ON '
+
+# --- IO --- #
+configopts += '-DXDMF_BUILD_MPI=ON '
+configopts += '-DPARAVIEW_ENABLE_XDMF3=ON '
+configopts += '-DPARAVIEW_ENABLE_ADIOS2=OFF ' # error: adios2.h not found
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderPixie=ON ' # req. ADIOS1
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderStaging=ON ' # req. ADIOS1
+configopts += '-DVTKm_ENABLE_HDF5_IO=ON '
+
+# --- large data --- #
+configopts += '-DVTK_USE_64BIT_IDS=ON '
+
+# --- rendering --- #
+
+# OpenGL (hardware)
+# https://kitware.github.io/paraview-docs/latest/cxx/Offscreen.html
+# If VTK_OPENGL_HAS_EGL or VTK_OPENGL_HAS_OSMESA is ON, the build supports headless rendering,
+# otherwise VTK_USE_X must be ON and the build does not support headless,
+# but can still support offscreen rendering.
+# If VTK_USE_X is OFF, then either VTK_OPENGL_HAS_OSMESA or VTK_OPENGL_HAS_EGL must be ON.
+# Then the build does not support onscreen rendering, but only headless rendering.
+# If PARAVIEW_BUILD_QT_GUI is ON and VTK_USE_X is ON, while ParaView command line tools won't link against
+# or use X calls, Qt will and hence an accessible X server is still needed to run the desktop client.
+# If VTK_OPENGL_HAS_OSMESA is ON, and VTK_USE_X is ON,
+# then all the OpenGL and OSMesa variables should point to the Mesa libraries.
+# Likewise, if VTK_OPENGL_HAS_EGL is ON and VTK_USE_X is ON, then all the OpenGL and EGL variables
+# should point to the system libraries providing both, typically the NVidia libraries.
+
+configopts += '-DOpenGL_GL_PREFERENCE=GLVND '
+configopts += '-DVTK_REPORT_OPENGL_ERRORS_IN_RELEASE_BUILDS=OFF '
+
+configopts += "-DOPENGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_GLX_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_EGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+# configopts += "-DOPENGL_xmesa_INCLUDE_DIR=IGNORE "
+
+configopts += "-DOPENGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 "
+configopts += "-DOPENGL_gl_LIBRARY=${EBROOTOPENGL}/lib/libGL.so "
+configopts += "-DOPENGL_glx_LIBRARY=${EBROOTOPENGL}/lib/libGLX.so.0 "
+configopts += "-DOPENGL_glu_LIBRARY=${EBROOTOPENGL}/lib/libGLU.so "
+configopts += "-DOPENGL_egl_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 "
+
+# OpenGL over X
+# configopts += '-DVTK_USE_X=ON ' # OFF:headless rendering
+# already considered by Qt (https://gitlab.kitware.com/lorensen/vtk/commit/b29f6db3f746d84f830c81e4212e48db192e4dbb)
+# configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=OFF '
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+
+# EGL (off-screen rendering with OpenGL, but without the need for X)
+# call pvserver with –egl-device-index=0 or 1 and –disable-xdisplay-test
+configopts += '-DVTK_OPENGL_HAS_EGL=ON '
+# http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF '
+configopts += '-DVTK_USE_X=OFF '
+configopts += '-DVTK_DEFAULT_EGL_DEVICE_INDEX=0 '
+# configopts += '-DEGL_INCLUDE_DIR=${EBROOTOPENGL}/include/EGL/ ' # https://www.khronos.org/registry/EGL/
+# configopts += '-DEGL_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 '
+# configopts += '-DEGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 '
+# configopts += '-DEGL_gldispatch_LIBRARY=${EBROOTOPENGL}/lib/libGLdispatch.so.0 ' # <path_to_libGLdispatch.so.0>
+
+# OSMesa (software)
+# With OSMesa the DISPLAY variable has no meaning and is not needed
+# When ON, implies that ParaView can use OSMesa to support headless modes of operation.
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=ON ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+# configopts += '-DVTK_USE_X=OFF '
+# configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=ON '
+# configopts += '-DOSMESA_INCLUDE_DIR=${EBROOTOPENGL}/include '
+# configopts += '-DOSMESA_LIBRARY=${EBROOTOPENGL}/lib/libOSMesa.so '
+
+# Raytracing
+configopts += '-DPARAVIEW_ENABLE_RAYTRACING=ON '
+configopts += '-DVTK_ENABLE_OSPRAY=ON '
+configopts += '-DVTK_ENABLE_VISRTX=OFF '
+
+configopts += "-Dospray_DIR=${EBROOTOSPRAY} "
+configopts += "-Dembree_DIR=${EBROOTEMBREE}/lib64/cmake/embree-3.13.5 "
+configopts += '-DVTKOSPRAY_ENABLE_DENOISER=ON '
+
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_pvNVIDIAIndeX=YES '
+
+# --- extra features --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_GeographicalMap=ON '
+
+configopts += "-DFFMPEG_ROOT=$EBROOTFFMPEG "
+configopts += '-DPARAVIEW_ENABLE_FFMPEG=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOFFMPEG=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOVideo=YES '
+
+configopts += '-DVTK_MODULE_ENABLE_VTK_DICOMParser=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersReebGraph=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSMP=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSelection=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTopology=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTexture=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersStatisticsGnu=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersMatlab=YES '
+
+# --- coupling --- #
+configopts += '-DPARAVIEW_ENABLE_CATALYST=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_InSitu=YES '
+# configopts += '-DVTK_MODULE_USE_EXTERNAL_ParaView_vtkcatalyst=ON '
+configopts += '-Dcatalyst_DIR=${EBROOTCATALYST}/lib64/cmake/catalyst-2.0/ '
+
+# --- development & testing --- #
+configopts += '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON '
+configopts += '-DPARAVIEW_BUILD_DEVELOPER_DOCUMENTATION=OFF '
+configopts += '-DPARAVIEW_ENABLE_EXAMPLES=OFF '
+configopts += '-DPARAVIEW_BUILD_TESTING=OFF '
+configopts += '-DPARAVIEW_BUILD_VTK_TESTING=OFF '
+
+# --- external data --- #
+# https://cmake.org/cmake/help/latest/module/ExternalData.html
+# https://gitlab.kitware.com/vtk/vtk/blob/master/Documentation/dev/git/data.md
+# configopts += '-DCTEST_TEST_TIMEOUT=10800 ' # unknown setting
+# download inactivity, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_INACTIVITY=10 '
+# download abs. time, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_ABSOLUTE=60 '
+# Exclude test data download from default 'all' target.
+configopts += '-DPARAVIEW_DATA_EXCLUDE_FROM_ALL=ON '
+# Local directory holding ExternalData objects in the layout %(algo)/%(hash).
+configopts += '-DPARAVIEW_DATA_STORE=${EBROOTPARAVIEWDATA}/.ExternalData '
+configopts += '-DVTK_DATA_STORE=${EBROOTVTKDATA}/.ExternalData '
+# Local directory holding the real data files of ExternalData.
+configopts += '-DExternalData_BINARY_ROOT=${EBROOTPARAVIEWDATA} '
+# we need to combine VTK and ParaView's External data files as there can only be one ExternalData_BINARY_ROOT
+
+# --- XDMF options --- #
+configopts += '-DXDMF_USE_BZIP2=ON '
+configopts += '-DXDMF_USE_GZIP=ON '
+
+# --- VTK external libraries --- #
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_expat=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_freetype=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_hdf5=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_jpeg=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_libxml2=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_mpi4py=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_netcdf=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_png=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_tiff=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_zlib=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_doubleconversion=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_eigen=ON '
+
+# --- ParaView Extra-Reader --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_CDIReader=ON '
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_ParFlow=ON '
+configopts += '-DPARAVIEW_ENABLE_MOTIONFX=ON '
+# configopts += '-DPARAVIEW_ENABLE_FIDES=ON ' # req. ADIOS2 as dependency
+# configopts += '-DPARAVIEW_ENABLE_GDAL=ON ' # req. GDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_LAS=ON ' # req. LAS as dependency
+# configopts += '-DPARAVIEW_ENABLE_PDAL=ON ' # req. PDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_OPENVDB=ON ' # req. OpenVDB as dependency
+
+# https://gitlab.kitware.com/paraview/visitbridge/-/blob/master/databases/CMakeLists.txt
+configopts += '-DPARAVIEW_ENABLE_VISITBRIDGE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_IOVisItBridge=YES '
+# configopts += '-DVISIT_BUILD_READER_Boxlib3D=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Mili=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Silo=ON ' # req. external dependency
+# https://gitlab.kitware.com/vtk/vtk/-/merge_requests/7503
+# configopts += '-DVISIT_BUILD_READER_Nek5000=ON ' # MR still open
+
+postinstallcmds = [
+ 'python -m compileall %(installdir)s/lib64/python%(pyshortver)s/site-packages/',
+ # 'cp -a %s %s' % (local_buildsrc, local_installsrc), # copy source from build dir to install dir
+ # '', # move debug info to separate files:
+ # http://stackoverflow.com/questions/866721/how-to-generate-gcc-debug-symbol-outside-the-build-target
+ # '', # debugedit -i --base-dir=%(builddir)s/ParaView-v%(version)s --dest-dir= %(installdir)s/src <file.debug>
+ # # change path to source in debug info
+]
+
+modextravars = {
+ 'PARAVIEW_VTK_DIR': '%(installdir)s/lib64/cmake/paraview-%(version_major_minor)/vtk',
+ # 'CUDA_VISIBLE_DEVICES': '0,1',
+ # OpenSWR fully supports OpenGL 3.0 and most of 3.3, but ParaView requires 3.3 -> clame to fully support 3.3
+ 'MESA_GL_VERSION_OVERRIDE': '3.3',
+ 'MESA_GLSL_VERSION_OVERRIDE': '330',
+ # OpenMP will choose an optimum number of threads by default, which is usually the number of cores
+ # 'OMP_NUM_THREADS': '28', # fix number of threads used by paraview filters and parallel sections in the code
+ # threads used by ospray - details https://github.com/ospray/ospray/blob/release-2.0.x/ospray/api/Device.cpp#L88
+ # unset => OSPRAY uses all hardware threads
+ # 'OSPRAY_THREADS': '14', # OSPRay < 2.0
+ # 'OSPRAY_NUM_THREADS': '14', # OSPRay >= 2.0
+ # When TBB is used for OSPRAY: tbb::task_scheduler_init::default_num_threads() is default if no OSPRAY_NUM_THREADS
+ # https://github.com/ospray/ospcommon/blob/master/ospcommon/tasking/detail/tasking_system_init.cpp#L47
+ # https://www.threadingbuildingblocks.org/docs/doxygen/a00150.html
+ # more ospray definitions: https://www.ospray.org/documentation.html#environment-variables
+ # max. threads used by OpenSWR (limited by number of hardware threads)
+ 'KNOB_MAX_WORKER_THREADS': '65535',
+ # details in https://gitlab.version.fz-juelich.de/vis/vis-software/issues/14
+ # more knob defs: https://github.com/mesa3d/mesa/blob/master/src/gallium/docs/source/drivers/openswr/knobs.rst
+ 'CATALYST_IMPLEMENTATION_NAME': 'paraview',
+ 'CATALYST_IMPLEMENTATION_PATHS': '%(installdir)s/lib64/catalyst',
+ # details in https://catalyst-in-situ.readthedocs.io/en/latest/for_simulation_developers.html#catalyst-initialize
+}
+
+modextrapaths = {
+ 'PYTHONPATH': [
+ 'lib64/python%(pyshortver)s/site-packages',
+ 'lib64/python%(pyshortver)s/site-packages/vtkmodules' # required by Trilinos Catalyst adapter
+ ],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaView/ParaView-5.11.0-foss-2022a.eb b/Golden_Repo/p/ParaView/ParaView-5.11.0-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..fe2372cac92477a690e7dcd1f47137fb52545e63
--- /dev/null
+++ b/Golden_Repo/p/ParaView/ParaView-5.11.0-foss-2022a.eb
@@ -0,0 +1,351 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaView'
+version = '5.11.0'
+
+homepage = "http://www.paraview.org"
+description = "Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+local_dwnlsfx_src = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=Sources&downloadFile='
+source_urls = [('http://www.paraview.org/paraview-downloads/%s' %
+ local_dwnlsfx_src)]
+sources = [("ParaView-v%(version)s.tar.gz")]
+
+patches = [
+ 'cdireader_update_issue5715.patch',
+ 'parflowreader_fix-nlohmann_merge6050.patch',
+]
+
+checksums = [
+ '68b1c6d15dd67ec442f964460c56212417e8af2a96763001f8548eb3cbc5ce87',
+ '064d6878409d9133ad56ce363503a000f7b4617d0c912fd81dd772994f6b5ac2', # cdireader patch
+ 'eb8b6967782bb47e81df129b0d8e192bbf31f11f815d0f53d1c5b4e53da95fd6', # parflowreader patch
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('git', '2.36.0', '-nodocs'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Boost', '1.79.0'),
+ ('X11', '20220504'),
+ ('bzip2', '1.0.8'),
+ ('HDF5', '1.12.2'),
+ ('ADIOS2', '2.8.3'),
+ ('FFmpeg', '4.4.2'),
+ ('Embree', '3.13.5'),
+ ('OSPRay', '2.10.0'),
+ ('libpng', '1.6.37'),
+ ('expat', '2.4.8'),
+ ('freetype', '2.12.1'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libxml2', '2.9.13'),
+ ('LibTIFF', '4.3.0'),
+ ('zlib', '1.2.12'),
+ ('netCDF', '4.9.0'),
+ ('netCDF-C++4', '4.3.1'),
+ ('netCDF-Fortran', '4.6.0'),
+ ('nlohmann_json', '3.10.5'), # for ParFlow plugin
+ ('libcdi', '2.1.1'), # for CDI plugin
+ ('mpi4py', '3.1.4'),
+ ('double-conversion', '3.2.0'),
+ ('Eigen', '3.4.0'),
+ ('Qt5', '5.15.5'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('OpenGL', '2022a'),
+ ('Catalyst', '2.0.0-rc3'),
+ ('ParaViewData', '5.11.0'),
+ ('VTKData', '9.2.5'),
+]
+
+separate_build_dir = True
+
+# ensure we do not use a too advanced GL-version at config/build-time, which might not be available at run-time
+preconfigopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+prebuildopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+
+########################################################################################
+# check ParaView Superbuild options #
+# https://gitlab.kitware.com/paraview/paraview-superbuild/tree/master #
+# #
+# check ParaView Spack options #
+# https://github.com/spack/spack/blob/develop/var/spack/repos/builtin/packages/paraview/package.py
+# #
+# check ParaView Build documenation #
+# https://gitlab.kitware.com/paraview/paraview/blob/master/Documentation/dev/build.md #
+########################################################################################
+
+local_buildsrc = '%(builddir)s/easybuild_obj'
+local_installsrc = '%(installdir)s/debugsrc'
+
+# --- general settings --- #
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DCMAKE_CXX_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_CXX_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_C_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_C_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_CXX_STANDARD=11 '
+configopts += '-DPARAVIEW_BUILD_LEGACY_SILENT=ON '
+
+# https://forum.openframeworks.cc/t/nvidia-drivers-pthreads-and-segfaults/2524
+# configopts += '-DCMAKE_CXX_FLAGS="-lpthread $CMAKE_CXX_FLAGS" '
+# configopts += '-DCMAKE_C_FLAGS="-lpthread $CMAKE_C_FLAGS" '
+
+configopts += '-DPARAVIEW_BUILD_EDITION=CANONICAL '
+configopts += '-DPARAVIEW_BUILD_WITH_KITS=OFF '
+configopts += '-DPARAVIEW_USE_QT=ON '
+
+# --- tuning --- #
+# better disable for now: https://discourse.paraview.org/t/array-dispatch-issues/10328
+# configopts += '-DVTK_BUILD_SCALED_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_TYPED_ARRAYS=OFF '
+
+# --- web --- #
+configopts += '-DPARAVIEW_ENABLE_WEB=ON '
+configopts += '-DPARAVIEW_USE_QTWEBENGINE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_PVWebPython=YES '
+
+# --- python --- #
+configopts += '-DPARAVIEW_USE_PYTHON=ON '
+configopts += "-DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python "
+
+configopts += '-DVTK_PYTHON_VERSION=3 '
+configopts += '-DVTK_NO_PYTHON_THREADS=OFF '
+# visibility depends on VTK_NO_PYTHON_THREADS=OFF
+configopts += '-DVTK_PYTHON_FULL_THREADSAFE=OFF '
+# If you pass VTK_PYTHON_FULL_THREADSAFE to true, then each and every call to python will be protected with GIL,
+# ensuring that you can have eg. other python interpreter in your application and still use python wrapping in vtk.
+
+# --- VTKm --- #
+configopts += '-DPARAVIEW_USE_VTKM=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmCore=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmDataModel=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmFilters=YES '
+configopts += '-DVTKm_Vectorization=AVX2 '
+# configopts += '-DVTKm_ENABLE_KOKKOS=OFF '
+# configopts += '-DVTKm_ENABLE_TBB=OFF '
+# configopts += '-DVTKm_ENABLE_CUDA=ON '
+# configopts += '-DVTKm_ENABLE_LOGGING=ON '
+
+# --- parallel (on-node) --- #
+# https://blog.kitware.com/simple-parallel-computing-with-vtksmptools-2/
+configopts += '-DVTK_SMP_IMPLEMENTATION_TYPE=OpenMP '
+configopts += '-DVTK_MAX_THREADS=64 '
+configopts += '-DVTKm_ENABLE_OPENMP=ON '
+
+# --- parallel (distributed) --- #
+configopts += '-DMPIEXEC_MAX_NUMPROCS=24 '
+configopts += '-DPARAVIEW_USE_MPI=ON '
+configopts += '-DVTKm_ENABLE_MPI=ON '
+
+# --- IO --- #
+configopts += '-DXDMF_BUILD_MPI=ON '
+configopts += '-DPARAVIEW_ENABLE_XDMF3=ON '
+configopts += '-DPARAVIEW_ENABLE_ADIOS2=OFF ' # error: adios2.h not found
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderPixie=ON ' # req. ADIOS1
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderStaging=ON ' # req. ADIOS1
+configopts += '-DVTKm_ENABLE_HDF5_IO=ON '
+
+# --- large data --- #
+configopts += '-DVTK_USE_64BIT_IDS=ON '
+
+# --- rendering --- #
+
+# OpenGL (hardware)
+# https://kitware.github.io/paraview-docs/latest/cxx/Offscreen.html
+# If VTK_OPENGL_HAS_EGL or VTK_OPENGL_HAS_OSMESA is ON, the build supports headless rendering,
+# otherwise VTK_USE_X must be ON and the build does not support headless,
+# but can still support offscreen rendering.
+# If VTK_USE_X is OFF, then either VTK_OPENGL_HAS_OSMESA or VTK_OPENGL_HAS_EGL must be ON.
+# Then the build does not support onscreen rendering, but only headless rendering.
+# If PARAVIEW_BUILD_QT_GUI is ON and VTK_USE_X is ON, while ParaView command line tools won't link against
+# or use X calls, Qt will and hence an accessible X server is still needed to run the desktop client.
+# If VTK_OPENGL_HAS_OSMESA is ON, and VTK_USE_X is ON,
+# then all the OpenGL and OSMesa variables should point to the Mesa libraries.
+# Likewise, if VTK_OPENGL_HAS_EGL is ON and VTK_USE_X is ON, then all the OpenGL and EGL variables
+# should point to the system libraries providing both, typically the NVidia libraries.
+
+configopts += '-DOpenGL_GL_PREFERENCE=GLVND '
+configopts += '-DVTK_REPORT_OPENGL_ERRORS_IN_RELEASE_BUILDS=OFF '
+
+configopts += "-DOPENGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_GLX_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_EGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+# configopts += "-DOPENGL_xmesa_INCLUDE_DIR=IGNORE "
+
+configopts += "-DOPENGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 "
+configopts += "-DOPENGL_gl_LIBRARY=${EBROOTOPENGL}/lib/libGL.so "
+configopts += "-DOPENGL_glx_LIBRARY=${EBROOTOPENGL}/lib/libGLX.so.0 "
+configopts += "-DOPENGL_glu_LIBRARY=${EBROOTOPENGL}/lib/libGLU.so "
+configopts += "-DOPENGL_egl_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 "
+
+# OpenGL over X
+configopts += '-DVTK_USE_X=ON ' # OFF:headless rendering
+# already considered by Qt (https://gitlab.kitware.com/lorensen/vtk/commit/b29f6db3f746d84f830c81e4212e48db192e4dbb)
+configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=OFF '
+# http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF '
+
+# EGL (off-screen rendering with OpenGL, but without the need for X)
+# call pvserver with –egl-device-index=0 or 1 and –disable-xdisplay-test
+# configopts += '-DVTK_OPENGL_HAS_EGL=ON '
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+# configopts += '-DVTK_USE_X=OFF '
+# configopts += '-DVTK_DEFAULT_EGL_DEVICE_INDEX=0 '
+# #configopts += '-DEGL_INCLUDE_DIR=${EBROOTOPENGL}/include/EGL/ ' # https://www.khronos.org/registry/EGL/
+# #configopts += '-DEGL_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 '
+# #configopts += '-DEGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 '
+# #configopts += '-DEGL_gldispatch_LIBRARY=${EBROOTOPENGL}/lib/libGLdispatch.so.0 ' # <path_to_libGLdispatch.so.0>
+
+# OSMesa (software)
+# With OSMesa the DISPLAY variable has no meaning and is not needed
+# When ON, implies that ParaView can use OSMesa to support headless modes of operation.
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=ON ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+# configopts += '-DVTK_USE_X=OFF '
+# configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=ON '
+# configopts += '-DOSMESA_INCLUDE_DIR=${EBROOTOPENGL}/include '
+# configopts += '-DOSMESA_LIBRARY=${EBROOTOPENGL}/lib/libOSMesa.so '
+
+# Raytracing
+configopts += '-DPARAVIEW_ENABLE_RAYTRACING=ON '
+configopts += '-DVTK_ENABLE_OSPRAY=ON '
+configopts += '-DVTK_ENABLE_VISRTX=OFF '
+
+configopts += "-Dospray_DIR=${EBROOTOSPRAY} "
+configopts += "-Dembree_DIR=${EBROOTEMBREE}/lib64/cmake/embree-3.13.5 "
+configopts += '-DVTKOSPRAY_ENABLE_DENOISER=ON '
+
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_pvNVIDIAIndeX=YES '
+
+# --- extra features --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_GeographicalMap=ON '
+
+configopts += "-DFFMPEG_ROOT=$EBROOTFFMPEG "
+configopts += '-DPARAVIEW_ENABLE_FFMPEG=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOFFMPEG=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOVideo=YES '
+
+configopts += '-DVTK_MODULE_ENABLE_VTK_DICOMParser=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersReebGraph=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSMP=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSelection=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTopology=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTexture=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersStatisticsGnu=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersMatlab=YES '
+
+# --- coupling --- #
+configopts += '-DPARAVIEW_ENABLE_CATALYST=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_InSitu=YES '
+# configopts += '-DVTK_MODULE_USE_EXTERNAL_ParaView_vtkcatalyst=ON '
+configopts += '-Dcatalyst_DIR=${EBROOTCATALYST}/lib64/cmake/catalyst-2.0/ '
+
+# --- development & testing --- #
+configopts += '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON '
+configopts += '-DPARAVIEW_BUILD_DEVELOPER_DOCUMENTATION=OFF '
+configopts += '-DPARAVIEW_ENABLE_EXAMPLES=OFF '
+configopts += '-DPARAVIEW_BUILD_TESTING=OFF '
+configopts += '-DPARAVIEW_BUILD_VTK_TESTING=OFF '
+
+# --- external data --- #
+# https://cmake.org/cmake/help/latest/module/ExternalData.html
+# https://gitlab.kitware.com/vtk/vtk/blob/master/Documentation/dev/git/data.md
+# configopts += '-DCTEST_TEST_TIMEOUT=10800 ' # unknown setting
+# download inactivity, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_INACTIVITY=10 '
+# download abs. time, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_ABSOLUTE=60 '
+# Exclude test data download from default 'all' target.
+configopts += '-DPARAVIEW_DATA_EXCLUDE_FROM_ALL=ON '
+# Local directory holding ExternalData objects in the layout %(algo)/%(hash).
+configopts += '-DPARAVIEW_DATA_STORE=${EBROOTPARAVIEWDATA}/.ExternalData '
+configopts += '-DVTK_DATA_STORE=${EBROOTVTKDATA}/.ExternalData '
+# Local directory holding the real data files of ExternalData.
+configopts += '-DExternalData_BINARY_ROOT=${EBROOTPARAVIEWDATA} '
+# we need to combine VTK and ParaView's External data files as there can only be one ExternalData_BINARY_ROOT
+
+# --- XDMF options --- #
+configopts += '-DXDMF_USE_BZIP2=ON '
+configopts += '-DXDMF_USE_GZIP=ON '
+
+# --- VTK external libraries --- #
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_expat=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_freetype=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_hdf5=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_jpeg=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_libxml2=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_mpi4py=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_netcdf=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_png=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_tiff=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_zlib=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_doubleconversion=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_eigen=ON '
+
+# --- ParaView Extra-Reader --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_CDIReader=ON '
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_ParFlow=ON '
+configopts += '-DPARAVIEW_ENABLE_MOTIONFX=ON '
+# configopts += '-DPARAVIEW_ENABLE_FIDES=ON ' # req. ADIOS2 as dependency
+# configopts += '-DPARAVIEW_ENABLE_GDAL=ON ' # req. GDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_LAS=ON ' # req. LAS as dependency
+# configopts += '-DPARAVIEW_ENABLE_PDAL=ON ' # req. PDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_OPENVDB=ON ' # req. OpenVDB as dependency
+
+# https://gitlab.kitware.com/paraview/visitbridge/-/blob/master/databases/CMakeLists.txt
+configopts += '-DPARAVIEW_ENABLE_VISITBRIDGE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_IOVisItBridge=YES '
+# configopts += '-DVISIT_BUILD_READER_Boxlib3D=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Mili=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Silo=ON ' # req. external dependency
+# https://gitlab.kitware.com/vtk/vtk/-/merge_requests/7503
+# configopts += '-DVISIT_BUILD_READER_Nek5000=ON ' # MR still open
+
+postinstallcmds = [
+ 'python -m compileall %(installdir)s/lib64/python%(pyshortver)s/site-packages/',
+ # 'cp -a %s %s' % (local_buildsrc, local_installsrc), # copy source from build dir to install dir
+ # '', # move debug info to separate files:
+ # http://stackoverflow.com/questions/866721/how-to-generate-gcc-debug-symbol-outside-the-build-target
+ # '', # debugedit -i --base-dir=%(builddir)s/ParaView-v%(version)s --dest-dir= %(installdir)s/src <file.debug>
+ # # change path to source in debug info
+]
+
+modextravars = {
+ 'PARAVIEW_VTK_DIR': '%(installdir)s/lib64/cmake/paraview-%(version_major_minor)/vtk',
+ # 'CUDA_VISIBLE_DEVICES': '0,1',
+ # OpenSWR fully supports OpenGL 3.0 and most of 3.3, but ParaView requires 3.3 -> clame to fully support 3.3
+ 'MESA_GL_VERSION_OVERRIDE': '3.3',
+ 'MESA_GLSL_VERSION_OVERRIDE': '330',
+ # OpenMP will choose an optimum number of threads by default, which is usually the number of cores
+ # 'OMP_NUM_THREADS': '28', # fix number of threads used by paraview filters and parallel sections in the code
+ # threads used by ospray - details https://github.com/ospray/ospray/blob/release-2.0.x/ospray/api/Device.cpp#L88
+ # unset => OSPRAY uses all hardware threads
+ # 'OSPRAY_THREADS': '14', # OSPRay < 2.0
+ # 'OSPRAY_NUM_THREADS': '14', # OSPRay >= 2.0
+ # When TBB is used for OSPRAY: tbb::task_scheduler_init::default_num_threads() is default if no OSPRAY_NUM_THREADS
+ # https://github.com/ospray/ospcommon/blob/master/ospcommon/tasking/detail/tasking_system_init.cpp#L47
+ # https://www.threadingbuildingblocks.org/docs/doxygen/a00150.html
+ # more ospray definitions: https://www.ospray.org/documentation.html#environment-variables
+ # max. threads used by OpenSWR (limited by number of hardware threads)
+ 'KNOB_MAX_WORKER_THREADS': '65535',
+ # details in https://gitlab.version.fz-juelich.de/vis/vis-software/issues/14
+ # more knob defs: https://github.com/mesa3d/mesa/blob/master/src/gallium/docs/source/drivers/openswr/knobs.rst
+ 'CATALYST_IMPLEMENTATION_NAME': 'paraview',
+ 'CATALYST_IMPLEMENTATION_PATHS': '%(installdir)s/lib64/catalyst',
+ # details in https://catalyst-in-situ.readthedocs.io/en/latest/for_simulation_developers.html#catalyst-initialize
+}
+
+modextrapaths = {
+ 'PYTHONPATH': [
+ 'lib64/python%(pyshortver)s/site-packages',
+ 'lib64/python%(pyshortver)s/site-packages/vtkmodules' # required by Trilinos Catalyst adapter
+ ],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaView/ParaView-5.11.0-gpsmkl-2022a-EGL.eb b/Golden_Repo/p/ParaView/ParaView-5.11.0-gpsmkl-2022a-EGL.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6c56837996516b1153c1c31fcb9ffb71151c5fd4
--- /dev/null
+++ b/Golden_Repo/p/ParaView/ParaView-5.11.0-gpsmkl-2022a-EGL.eb
@@ -0,0 +1,352 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaView'
+version = '5.11.0'
+versionsuffix = '-EGL'
+
+homepage = "http://www.paraview.org"
+description = "Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+local_dwnlsfx_src = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=Sources&downloadFile='
+source_urls = [('http://www.paraview.org/paraview-downloads/%s' %
+ local_dwnlsfx_src)]
+sources = [("ParaView-v%(version)s.tar.gz")]
+
+patches = [
+ 'cdireader_update_issue5715.patch',
+ 'parflowreader_fix-nlohmann_merge6050.patch',
+]
+
+checksums = [
+ '68b1c6d15dd67ec442f964460c56212417e8af2a96763001f8548eb3cbc5ce87',
+ '064d6878409d9133ad56ce363503a000f7b4617d0c912fd81dd772994f6b5ac2', # cdireader patch
+ 'eb8b6967782bb47e81df129b0d8e192bbf31f11f815d0f53d1c5b4e53da95fd6', # parflowreader patch
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('git', '2.36.0', '-nodocs'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Boost', '1.79.0'),
+ ('X11', '20220504'),
+ ('bzip2', '1.0.8'),
+ ('HDF5', '1.12.2'),
+ ('ADIOS2', '2.8.3'),
+ ('FFmpeg', '4.4.2'),
+ ('Embree', '3.13.5'),
+ ('OSPRay', '2.10.0'),
+ ('libpng', '1.6.37'),
+ ('expat', '2.4.8'),
+ ('freetype', '2.12.1'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libxml2', '2.9.13'),
+ ('LibTIFF', '4.3.0'),
+ ('zlib', '1.2.12'),
+ ('netCDF', '4.9.0'),
+ ('netCDF-C++4', '4.3.1'),
+ ('netCDF-Fortran', '4.6.0'),
+ ('nlohmann_json', '3.10.5'), # for ParFlow plugin
+ ('libcdi', '2.1.1'), # for CDI plugin
+ ('mpi4py', '3.1.4'),
+ ('double-conversion', '3.2.0'),
+ ('Eigen', '3.4.0'),
+ ('Qt5', '5.15.5'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('OpenGL', '2022a'),
+ ('Catalyst', '2.0.0-rc3'),
+ ('ParaViewData', '5.11.0'),
+ ('VTKData', '9.2.5'),
+]
+
+separate_build_dir = True
+
+# ensure we do not use a too advanced GL-version at config/build-time, which might not be available at run-time
+preconfigopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+prebuildopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+
+########################################################################################
+# check ParaView Superbuild options #
+# https://gitlab.kitware.com/paraview/paraview-superbuild/tree/master #
+# #
+# check ParaView Spack options #
+# https://github.com/spack/spack/blob/develop/var/spack/repos/builtin/packages/paraview/package.py
+# #
+# check ParaView Build documenation #
+# https://gitlab.kitware.com/paraview/paraview/blob/master/Documentation/dev/build.md #
+########################################################################################
+
+local_buildsrc = '%(builddir)s/easybuild_obj'
+local_installsrc = '%(installdir)s/debugsrc'
+
+# --- general settings --- #
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DCMAKE_CXX_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_CXX_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_C_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_C_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_CXX_STANDARD=11 '
+configopts += '-DPARAVIEW_BUILD_LEGACY_SILENT=ON '
+
+# https://forum.openframeworks.cc/t/nvidia-drivers-pthreads-and-segfaults/2524
+# configopts += '-DCMAKE_CXX_FLAGS="-lpthread $CMAKE_CXX_FLAGS" '
+# configopts += '-DCMAKE_C_FLAGS="-lpthread $CMAKE_C_FLAGS" '
+
+configopts += '-DPARAVIEW_BUILD_EDITION=CANONICAL '
+configopts += '-DPARAVIEW_BUILD_WITH_KITS=OFF '
+configopts += '-DPARAVIEW_USE_QT=OFF '
+
+# --- tuning --- #
+# better disable for now: https://discourse.paraview.org/t/array-dispatch-issues/10328
+# configopts += '-DVTK_BUILD_SCALED_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_TYPED_ARRAYS=OFF '
+
+# --- web --- #
+configopts += '-DPARAVIEW_ENABLE_WEB=ON '
+configopts += '-DPARAVIEW_USE_QTWEBENGINE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_PVWebPython=YES '
+
+# --- python --- #
+configopts += '-DPARAVIEW_USE_PYTHON=ON '
+configopts += "-DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python "
+
+configopts += '-DVTK_PYTHON_VERSION=3 '
+configopts += '-DVTK_NO_PYTHON_THREADS=OFF '
+# visibility depends on VTK_NO_PYTHON_THREADS=OFF
+configopts += '-DVTK_PYTHON_FULL_THREADSAFE=OFF '
+# If you pass VTK_PYTHON_FULL_THREADSAFE to true, then each and every call to python will be protected with GIL,
+# ensuring that you can have eg. other python interpreter in your application and still use python wrapping in vtk.
+
+# --- VTKm --- #
+configopts += '-DPARAVIEW_USE_VTKM=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmCore=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmDataModel=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmFilters=YES '
+configopts += '-DVTKm_Vectorization=AVX2 '
+# configopts += '-DVTKm_ENABLE_KOKKOS=OFF '
+# configopts += '-DVTKm_ENABLE_TBB=OFF '
+# configopts += '-DVTKm_ENABLE_CUDA=ON '
+# configopts += '-DVTKm_ENABLE_LOGGING=ON '
+
+# --- parallel (on-node) --- #
+# https://blog.kitware.com/simple-parallel-computing-with-vtksmptools-2/
+configopts += '-DVTK_SMP_IMPLEMENTATION_TYPE=OpenMP '
+configopts += '-DVTK_MAX_THREADS=64 '
+configopts += '-DVTKm_ENABLE_OPENMP=ON '
+
+# --- parallel (distributed) --- #
+configopts += '-DMPIEXEC_MAX_NUMPROCS=24 '
+configopts += '-DPARAVIEW_USE_MPI=ON '
+configopts += '-DVTKm_ENABLE_MPI=ON '
+
+# --- IO --- #
+configopts += '-DXDMF_BUILD_MPI=ON '
+configopts += '-DPARAVIEW_ENABLE_XDMF3=ON '
+configopts += '-DPARAVIEW_ENABLE_ADIOS2=OFF ' # error: adios2.h not found
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderPixie=ON ' # req. ADIOS1
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderStaging=ON ' # req. ADIOS1
+configopts += '-DVTKm_ENABLE_HDF5_IO=ON '
+
+# --- large data --- #
+configopts += '-DVTK_USE_64BIT_IDS=ON '
+
+# --- rendering --- #
+
+# OpenGL (hardware)
+# https://kitware.github.io/paraview-docs/latest/cxx/Offscreen.html
+# If VTK_OPENGL_HAS_EGL or VTK_OPENGL_HAS_OSMESA is ON, the build supports headless rendering,
+# otherwise VTK_USE_X must be ON and the build does not support headless,
+# but can still support offscreen rendering.
+# If VTK_USE_X is OFF, then either VTK_OPENGL_HAS_OSMESA or VTK_OPENGL_HAS_EGL must be ON.
+# Then the build does not support onscreen rendering, but only headless rendering.
+# If PARAVIEW_BUILD_QT_GUI is ON and VTK_USE_X is ON, while ParaView command line tools won't link against
+# or use X calls, Qt will and hence an accessible X server is still needed to run the desktop client.
+# If VTK_OPENGL_HAS_OSMESA is ON, and VTK_USE_X is ON,
+# then all the OpenGL and OSMesa variables should point to the Mesa libraries.
+# Likewise, if VTK_OPENGL_HAS_EGL is ON and VTK_USE_X is ON, then all the OpenGL and EGL variables
+# should point to the system libraries providing both, typically the NVidia libraries.
+
+configopts += '-DOpenGL_GL_PREFERENCE=GLVND '
+configopts += '-DVTK_REPORT_OPENGL_ERRORS_IN_RELEASE_BUILDS=OFF '
+
+configopts += "-DOPENGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_GLX_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_EGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+# configopts += "-DOPENGL_xmesa_INCLUDE_DIR=IGNORE "
+
+configopts += "-DOPENGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 "
+configopts += "-DOPENGL_gl_LIBRARY=${EBROOTOPENGL}/lib/libGL.so "
+configopts += "-DOPENGL_glx_LIBRARY=${EBROOTOPENGL}/lib/libGLX.so.0 "
+configopts += "-DOPENGL_glu_LIBRARY=${EBROOTOPENGL}/lib/libGLU.so "
+configopts += "-DOPENGL_egl_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 "
+
+# OpenGL over X
+# configopts += '-DVTK_USE_X=ON ' # OFF:headless rendering
+# already considered by Qt (https://gitlab.kitware.com/lorensen/vtk/commit/b29f6db3f746d84f830c81e4212e48db192e4dbb)
+# configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=OFF '
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+
+# EGL (off-screen rendering with OpenGL, but without the need for X)
+# call pvserver with –egl-device-index=0 or 1 and –disable-xdisplay-test
+configopts += '-DVTK_OPENGL_HAS_EGL=ON '
+# http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF '
+configopts += '-DVTK_USE_X=OFF '
+configopts += '-DVTK_DEFAULT_EGL_DEVICE_INDEX=0 '
+# configopts += '-DEGL_INCLUDE_DIR=${EBROOTOPENGL}/include/EGL/ ' # https://www.khronos.org/registry/EGL/
+# configopts += '-DEGL_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 '
+# configopts += '-DEGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 '
+# configopts += '-DEGL_gldispatch_LIBRARY=${EBROOTOPENGL}/lib/libGLdispatch.so.0 ' # <path_to_libGLdispatch.so.0>
+
+# OSMesa (software)
+# With OSMesa the DISPLAY variable has no meaning and is not needed
+# When ON, implies that ParaView can use OSMesa to support headless modes of operation.
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=ON ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+# configopts += '-DVTK_USE_X=OFF '
+# configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=ON '
+# configopts += '-DOSMESA_INCLUDE_DIR=${EBROOTOPENGL}/include '
+# configopts += '-DOSMESA_LIBRARY=${EBROOTOPENGL}/lib/libOSMesa.so '
+
+# Raytracing
+configopts += '-DPARAVIEW_ENABLE_RAYTRACING=ON '
+configopts += '-DVTK_ENABLE_OSPRAY=ON '
+configopts += '-DVTK_ENABLE_VISRTX=OFF '
+
+configopts += "-Dospray_DIR=${EBROOTOSPRAY} "
+configopts += "-Dembree_DIR=${EBROOTEMBREE}/lib64/cmake/embree-3.13.5 "
+configopts += '-DVTKOSPRAY_ENABLE_DENOISER=ON '
+
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_pvNVIDIAIndeX=YES '
+
+# --- extra features --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_GeographicalMap=ON '
+
+configopts += "-DFFMPEG_ROOT=$EBROOTFFMPEG "
+configopts += '-DPARAVIEW_ENABLE_FFMPEG=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOFFMPEG=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOVideo=YES '
+
+configopts += '-DVTK_MODULE_ENABLE_VTK_DICOMParser=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersReebGraph=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSMP=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSelection=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTopology=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTexture=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersStatisticsGnu=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersMatlab=YES '
+
+# --- coupling --- #
+configopts += '-DPARAVIEW_ENABLE_CATALYST=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_InSitu=YES '
+# configopts += '-DVTK_MODULE_USE_EXTERNAL_ParaView_vtkcatalyst=ON '
+configopts += '-Dcatalyst_DIR=${EBROOTCATALYST}/lib64/cmake/catalyst-2.0/ '
+
+# --- development & testing --- #
+configopts += '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON '
+configopts += '-DPARAVIEW_BUILD_DEVELOPER_DOCUMENTATION=OFF '
+configopts += '-DPARAVIEW_ENABLE_EXAMPLES=OFF '
+configopts += '-DPARAVIEW_BUILD_TESTING=OFF '
+configopts += '-DPARAVIEW_BUILD_VTK_TESTING=OFF '
+
+# --- external data --- #
+# https://cmake.org/cmake/help/latest/module/ExternalData.html
+# https://gitlab.kitware.com/vtk/vtk/blob/master/Documentation/dev/git/data.md
+# configopts += '-DCTEST_TEST_TIMEOUT=10800 ' # unknown setting
+# download inactivity, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_INACTIVITY=10 '
+# download abs. time, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_ABSOLUTE=60 '
+# Exclude test data download from default 'all' target.
+configopts += '-DPARAVIEW_DATA_EXCLUDE_FROM_ALL=ON '
+# Local directory holding ExternalData objects in the layout %(algo)/%(hash).
+configopts += '-DPARAVIEW_DATA_STORE=${EBROOTPARAVIEWDATA}/.ExternalData '
+configopts += '-DVTK_DATA_STORE=${EBROOTVTKDATA}/.ExternalData '
+# Local directory holding the real data files of ExternalData.
+configopts += '-DExternalData_BINARY_ROOT=${EBROOTPARAVIEWDATA} '
+# we need to combine VTK and ParaView's External data files as there can only be one ExternalData_BINARY_ROOT
+
+# --- XDMF options --- #
+configopts += '-DXDMF_USE_BZIP2=ON '
+configopts += '-DXDMF_USE_GZIP=ON '
+
+# --- VTK external libraries --- #
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_expat=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_freetype=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_hdf5=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_jpeg=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_libxml2=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_mpi4py=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_netcdf=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_png=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_tiff=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_zlib=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_doubleconversion=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_eigen=ON '
+
+# --- ParaView Extra-Reader --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_CDIReader=ON '
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_ParFlow=ON '
+configopts += '-DPARAVIEW_ENABLE_MOTIONFX=ON '
+# configopts += '-DPARAVIEW_ENABLE_FIDES=ON ' # req. ADIOS2 as dependency
+# configopts += '-DPARAVIEW_ENABLE_GDAL=ON ' # req. GDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_LAS=ON ' # req. LAS as dependency
+# configopts += '-DPARAVIEW_ENABLE_PDAL=ON ' # req. PDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_OPENVDB=ON ' # req. OpenVDB as dependency
+
+# https://gitlab.kitware.com/paraview/visitbridge/-/blob/master/databases/CMakeLists.txt
+configopts += '-DPARAVIEW_ENABLE_VISITBRIDGE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_IOVisItBridge=YES '
+# configopts += '-DVISIT_BUILD_READER_Boxlib3D=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Mili=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Silo=ON ' # req. external dependency
+# https://gitlab.kitware.com/vtk/vtk/-/merge_requests/7503
+# configopts += '-DVISIT_BUILD_READER_Nek5000=ON ' # MR still open
+
+postinstallcmds = [
+ 'python -m compileall %(installdir)s/lib64/python%(pyshortver)s/site-packages/',
+ # 'cp -a %s %s' % (local_buildsrc, local_installsrc), # copy source from build dir to install dir
+ # '', # move debug info to separate files:
+ # http://stackoverflow.com/questions/866721/how-to-generate-gcc-debug-symbol-outside-the-build-target
+ # '', # debugedit -i --base-dir=%(builddir)s/ParaView-v%(version)s --dest-dir= %(installdir)s/src <file.debug>
+ # # change path to source in debug info
+]
+
+modextravars = {
+ 'PARAVIEW_VTK_DIR': '%(installdir)s/lib64/cmake/paraview-%(version_major_minor)/vtk',
+ # 'CUDA_VISIBLE_DEVICES': '0,1',
+ # OpenSWR fully supports OpenGL 3.0 and most of 3.3, but ParaView requires 3.3 -> clame to fully support 3.3
+ 'MESA_GL_VERSION_OVERRIDE': '3.3',
+ 'MESA_GLSL_VERSION_OVERRIDE': '330',
+ # OpenMP will choose an optimum number of threads by default, which is usually the number of cores
+ # 'OMP_NUM_THREADS': '28', # fix number of threads used by paraview filters and parallel sections in the code
+ # threads used by ospray - details https://github.com/ospray/ospray/blob/release-2.0.x/ospray/api/Device.cpp#L88
+ # unset => OSPRAY uses all hardware threads
+ # 'OSPRAY_THREADS': '14', # OSPRay < 2.0
+ # 'OSPRAY_NUM_THREADS': '14', # OSPRay >= 2.0
+ # When TBB is used for OSPRAY: tbb::task_scheduler_init::default_num_threads() is default if no OSPRAY_NUM_THREADS
+ # https://github.com/ospray/ospcommon/blob/master/ospcommon/tasking/detail/tasking_system_init.cpp#L47
+ # https://www.threadingbuildingblocks.org/docs/doxygen/a00150.html
+ # more ospray definitions: https://www.ospray.org/documentation.html#environment-variables
+ # max. threads used by OpenSWR (limited by number of hardware threads)
+ 'KNOB_MAX_WORKER_THREADS': '65535',
+ # details in https://gitlab.version.fz-juelich.de/vis/vis-software/issues/14
+ # more knob defs: https://github.com/mesa3d/mesa/blob/master/src/gallium/docs/source/drivers/openswr/knobs.rst
+ 'CATALYST_IMPLEMENTATION_NAME': 'paraview',
+ 'CATALYST_IMPLEMENTATION_PATHS': '%(installdir)s/lib64/catalyst',
+ # details in https://catalyst-in-situ.readthedocs.io/en/latest/for_simulation_developers.html#catalyst-initialize
+}
+
+modextrapaths = {
+ 'PYTHONPATH': [
+ 'lib64/python%(pyshortver)s/site-packages',
+ 'lib64/python%(pyshortver)s/site-packages/vtkmodules' # required by Trilinos Catalyst adapter
+ ],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaView/ParaView-5.11.0-gpsmkl-2022a.eb b/Golden_Repo/p/ParaView/ParaView-5.11.0-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..89f2cfcb7252526b387287430c9edb39d89425c4
--- /dev/null
+++ b/Golden_Repo/p/ParaView/ParaView-5.11.0-gpsmkl-2022a.eb
@@ -0,0 +1,351 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaView'
+version = '5.11.0'
+
+homepage = "http://www.paraview.org"
+description = "Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+local_dwnlsfx_src = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=Sources&downloadFile='
+source_urls = [('http://www.paraview.org/paraview-downloads/%s' %
+ local_dwnlsfx_src)]
+sources = [("ParaView-v%(version)s.tar.gz")]
+
+patches = [
+ 'cdireader_update_issue5715.patch',
+ 'parflowreader_fix-nlohmann_merge6050.patch',
+]
+
+checksums = [
+ '68b1c6d15dd67ec442f964460c56212417e8af2a96763001f8548eb3cbc5ce87',
+ '064d6878409d9133ad56ce363503a000f7b4617d0c912fd81dd772994f6b5ac2', # cdireader patch
+ 'eb8b6967782bb47e81df129b0d8e192bbf31f11f815d0f53d1c5b4e53da95fd6', # parflowreader patch
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+ ('git', '2.36.0', '-nodocs'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Boost', '1.79.0'),
+ ('X11', '20220504'),
+ ('bzip2', '1.0.8'),
+ ('HDF5', '1.12.2'),
+ ('ADIOS2', '2.8.3'),
+ ('FFmpeg', '4.4.2'),
+ ('Embree', '3.13.5'),
+ ('OSPRay', '2.10.0'),
+ ('libpng', '1.6.37'),
+ ('expat', '2.4.8'),
+ ('freetype', '2.12.1'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('libxml2', '2.9.13'),
+ ('LibTIFF', '4.3.0'),
+ ('zlib', '1.2.12'),
+ ('netCDF', '4.9.0'),
+ ('netCDF-C++4', '4.3.1'),
+ ('netCDF-Fortran', '4.6.0'),
+ ('nlohmann_json', '3.10.5'), # for ParFlow plugin
+ ('libcdi', '2.1.1'), # for CDI plugin
+ ('mpi4py', '3.1.4'),
+ ('double-conversion', '3.2.0'),
+ ('Eigen', '3.4.0'),
+ ('Qt5', '5.15.5'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('OpenGL', '2022a'),
+ ('Catalyst', '2.0.0-rc3'),
+ ('ParaViewData', '5.11.0'),
+ ('VTKData', '9.2.5'),
+]
+
+separate_build_dir = True
+
+# ensure we do not use a too advanced GL-version at config/build-time, which might not be available at run-time
+preconfigopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+prebuildopts = "export __EGL_VENDOR_LIBRARY_FILENAMES=${EBROOTOPENGL}/share/glvnd/egl_vendor.d/50_mesa.json && "
+
+########################################################################################
+# check ParaView Superbuild options #
+# https://gitlab.kitware.com/paraview/paraview-superbuild/tree/master #
+# #
+# check ParaView Spack options #
+# https://github.com/spack/spack/blob/develop/var/spack/repos/builtin/packages/paraview/package.py
+# #
+# check ParaView Build documenation #
+# https://gitlab.kitware.com/paraview/paraview/blob/master/Documentation/dev/build.md #
+########################################################################################
+
+local_buildsrc = '%(builddir)s/easybuild_obj'
+local_installsrc = '%(installdir)s/debugsrc'
+
+# --- general settings --- #
+configopts = '-DCMAKE_VERBOSE_MAKEFILE=ON '
+configopts += '-DCMAKE_CXX_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_CXX_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_C_FLAGS="-fdebug-prefix-map=%s=%s $CMAKE_C_FLAGS" ' % (local_buildsrc, local_installsrc)
+configopts += '-DCMAKE_CXX_STANDARD=11 '
+configopts += '-DPARAVIEW_BUILD_LEGACY_SILENT=ON '
+
+# https://forum.openframeworks.cc/t/nvidia-drivers-pthreads-and-segfaults/2524
+# configopts += '-DCMAKE_CXX_FLAGS="-lpthread $CMAKE_CXX_FLAGS" '
+# configopts += '-DCMAKE_C_FLAGS="-lpthread $CMAKE_C_FLAGS" '
+
+configopts += '-DPARAVIEW_BUILD_EDITION=CANONICAL '
+configopts += '-DPARAVIEW_BUILD_WITH_KITS=OFF '
+configopts += '-DPARAVIEW_USE_QT=ON '
+
+# --- tuning --- #
+# better disable for now: https://discourse.paraview.org/t/array-dispatch-issues/10328
+# configopts += '-DVTK_BUILD_SCALED_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_SOA_ARRAYS=OFF '
+# configopts += '-DVTK_DISPATCH_TYPED_ARRAYS=OFF '
+
+# --- web --- #
+configopts += '-DPARAVIEW_ENABLE_WEB=ON '
+configopts += '-DPARAVIEW_USE_QTWEBENGINE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_PVWebPython=YES '
+
+# --- python --- #
+configopts += '-DPARAVIEW_USE_PYTHON=ON '
+configopts += "-DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python "
+
+configopts += '-DVTK_PYTHON_VERSION=3 '
+configopts += '-DVTK_NO_PYTHON_THREADS=OFF '
+# visibility depends on VTK_NO_PYTHON_THREADS=OFF
+configopts += '-DVTK_PYTHON_FULL_THREADSAFE=OFF '
+# If you pass VTK_PYTHON_FULL_THREADSAFE to true, then each and every call to python will be protected with GIL,
+# ensuring that you can have eg. other python interpreter in your application and still use python wrapping in vtk.
+
+# --- VTKm --- #
+configopts += '-DPARAVIEW_USE_VTKM=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmCore=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmDataModel=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_AcceleratorsVTKmFilters=YES '
+configopts += '-DVTKm_Vectorization=AVX2 '
+# configopts += '-DVTKm_ENABLE_KOKKOS=OFF '
+# configopts += '-DVTKm_ENABLE_TBB=OFF '
+# configopts += '-DVTKm_ENABLE_CUDA=ON '
+# configopts += '-DVTKm_ENABLE_LOGGING=ON '
+
+# --- parallel (on-node) --- #
+# https://blog.kitware.com/simple-parallel-computing-with-vtksmptools-2/
+configopts += '-DVTK_SMP_IMPLEMENTATION_TYPE=OpenMP '
+configopts += '-DVTK_MAX_THREADS=64 '
+configopts += '-DVTKm_ENABLE_OPENMP=ON '
+
+# --- parallel (distributed) --- #
+configopts += '-DMPIEXEC_MAX_NUMPROCS=24 '
+configopts += '-DPARAVIEW_USE_MPI=ON '
+configopts += '-DVTKm_ENABLE_MPI=ON '
+
+# --- IO --- #
+configopts += '-DXDMF_BUILD_MPI=ON '
+configopts += '-DPARAVIEW_ENABLE_XDMF3=ON '
+configopts += '-DPARAVIEW_ENABLE_ADIOS2=OFF ' # error: adios2.h not found
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderPixie=ON ' # req. ADIOS1
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_AdiosReaderStaging=ON ' # req. ADIOS1
+configopts += '-DVTKm_ENABLE_HDF5_IO=ON '
+
+# --- large data --- #
+configopts += '-DVTK_USE_64BIT_IDS=ON '
+
+# --- rendering --- #
+
+# OpenGL (hardware)
+# https://kitware.github.io/paraview-docs/latest/cxx/Offscreen.html
+# If VTK_OPENGL_HAS_EGL or VTK_OPENGL_HAS_OSMESA is ON, the build supports headless rendering,
+# otherwise VTK_USE_X must be ON and the build does not support headless,
+# but can still support offscreen rendering.
+# If VTK_USE_X is OFF, then either VTK_OPENGL_HAS_OSMESA or VTK_OPENGL_HAS_EGL must be ON.
+# Then the build does not support onscreen rendering, but only headless rendering.
+# If PARAVIEW_BUILD_QT_GUI is ON and VTK_USE_X is ON, while ParaView command line tools won't link against
+# or use X calls, Qt will and hence an accessible X server is still needed to run the desktop client.
+# If VTK_OPENGL_HAS_OSMESA is ON, and VTK_USE_X is ON,
+# then all the OpenGL and OSMesa variables should point to the Mesa libraries.
+# Likewise, if VTK_OPENGL_HAS_EGL is ON and VTK_USE_X is ON, then all the OpenGL and EGL variables
+# should point to the system libraries providing both, typically the NVidia libraries.
+
+configopts += '-DOpenGL_GL_PREFERENCE=GLVND '
+configopts += '-DVTK_REPORT_OPENGL_ERRORS_IN_RELEASE_BUILDS=OFF '
+
+configopts += "-DOPENGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_GLX_INCLUDE_DIR=${EBROOTOPENGL}/include "
+configopts += "-DOPENGL_EGL_INCLUDE_DIR=${EBROOTOPENGL}/include "
+# configopts += "-DOPENGL_xmesa_INCLUDE_DIR=IGNORE "
+
+configopts += "-DOPENGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 "
+configopts += "-DOPENGL_gl_LIBRARY=${EBROOTOPENGL}/lib/libGL.so "
+configopts += "-DOPENGL_glx_LIBRARY=${EBROOTOPENGL}/lib/libGLX.so.0 "
+configopts += "-DOPENGL_glu_LIBRARY=${EBROOTOPENGL}/lib/libGLU.so "
+configopts += "-DOPENGL_egl_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 "
+
+# OpenGL over X
+configopts += '-DVTK_USE_X=ON ' # OFF:headless rendering
+# already considered by Qt (https://gitlab.kitware.com/lorensen/vtk/commit/b29f6db3f746d84f830c81e4212e48db192e4dbb)
+configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=OFF '
+# http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF '
+
+# EGL (off-screen rendering with OpenGL, but without the need for X)
+# call pvserver with –egl-device-index=0 or 1 and –disable-xdisplay-test
+# configopts += '-DVTK_OPENGL_HAS_EGL=ON '
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=OFF ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+# configopts += '-DVTK_USE_X=OFF '
+# configopts += '-DVTK_DEFAULT_EGL_DEVICE_INDEX=0 '
+# #configopts += '-DEGL_INCLUDE_DIR=${EBROOTOPENGL}/include/EGL/ ' # https://www.khronos.org/registry/EGL/
+# #configopts += '-DEGL_LIBRARY=${EBROOTOPENGL}/lib/libEGL.so.1 '
+# #configopts += '-DEGL_opengl_LIBRARY=${EBROOTOPENGL}/lib/libOpenGL.so.0 '
+# #configopts += '-DEGL_gldispatch_LIBRARY=${EBROOTOPENGL}/lib/libGLdispatch.so.0 ' # <path_to_libGLdispatch.so.0>
+
+# OSMesa (software)
+# With OSMesa the DISPLAY variable has no meaning and is not needed
+# When ON, implies that ParaView can use OSMesa to support headless modes of operation.
+# configopts += '-DVTK_OPENGL_HAS_OSMESA=ON ' # http://www.paraview.org/Wiki/ParaView_And_Mesa_3D
+# configopts += '-DVTK_USE_X=OFF '
+# configopts += '-DVTK_DEFAULT_RENDER_WINDOW_OFFSCREEN=ON '
+# configopts += '-DOSMESA_INCLUDE_DIR=${EBROOTOPENGL}/include '
+# configopts += '-DOSMESA_LIBRARY=${EBROOTOPENGL}/lib/libOSMesa.so '
+
+# Raytracing
+configopts += '-DPARAVIEW_ENABLE_RAYTRACING=ON '
+configopts += '-DVTK_ENABLE_OSPRAY=ON '
+configopts += '-DVTK_ENABLE_VISRTX=OFF '
+
+configopts += "-Dospray_DIR=${EBROOTOSPRAY} "
+configopts += "-Dembree_DIR=${EBROOTEMBREE}/lib64/cmake/embree-3.13.5 "
+configopts += '-DVTKOSPRAY_ENABLE_DENOISER=ON '
+
+# configopts += '-DPARAVIEW_PLUGIN_ENABLE_pvNVIDIAIndeX=YES '
+
+# --- extra features --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_GeographicalMap=ON '
+
+configopts += "-DFFMPEG_ROOT=$EBROOTFFMPEG "
+configopts += '-DPARAVIEW_ENABLE_FFMPEG=ON '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOFFMPEG=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_IOVideo=YES '
+
+configopts += '-DVTK_MODULE_ENABLE_VTK_DICOMParser=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersReebGraph=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSMP=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersSelection=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTopology=YES '
+configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersTexture=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersStatisticsGnu=YES '
+# configopts += '-DVTK_MODULE_ENABLE_VTK_FiltersMatlab=YES '
+
+# --- coupling --- #
+configopts += '-DPARAVIEW_ENABLE_CATALYST=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_InSitu=YES '
+# configopts += '-DVTK_MODULE_USE_EXTERNAL_ParaView_vtkcatalyst=ON '
+configopts += '-Dcatalyst_DIR=${EBROOTCATALYST}/lib64/cmake/catalyst-2.0/ '
+
+# --- development & testing --- #
+configopts += '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON '
+configopts += '-DPARAVIEW_BUILD_DEVELOPER_DOCUMENTATION=OFF '
+configopts += '-DPARAVIEW_ENABLE_EXAMPLES=OFF '
+configopts += '-DPARAVIEW_BUILD_TESTING=OFF '
+configopts += '-DPARAVIEW_BUILD_VTK_TESTING=OFF '
+
+# --- external data --- #
+# https://cmake.org/cmake/help/latest/module/ExternalData.html
+# https://gitlab.kitware.com/vtk/vtk/blob/master/Documentation/dev/git/data.md
+# configopts += '-DCTEST_TEST_TIMEOUT=10800 ' # unknown setting
+# download inactivity, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_INACTIVITY=10 '
+# download abs. time, 0 = no timeout
+configopts += '-DExternalData_TIMEOUT_ABSOLUTE=60 '
+# Exclude test data download from default 'all' target.
+configopts += '-DPARAVIEW_DATA_EXCLUDE_FROM_ALL=ON '
+# Local directory holding ExternalData objects in the layout %(algo)/%(hash).
+configopts += '-DPARAVIEW_DATA_STORE=${EBROOTPARAVIEWDATA}/.ExternalData '
+configopts += '-DVTK_DATA_STORE=${EBROOTVTKDATA}/.ExternalData '
+# Local directory holding the real data files of ExternalData.
+configopts += '-DExternalData_BINARY_ROOT=${EBROOTPARAVIEWDATA} '
+# we need to combine VTK and ParaView's External data files as there can only be one ExternalData_BINARY_ROOT
+
+# --- XDMF options --- #
+configopts += '-DXDMF_USE_BZIP2=ON '
+configopts += '-DXDMF_USE_GZIP=ON '
+
+# --- VTK external libraries --- #
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_expat=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_freetype=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_hdf5=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_jpeg=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_libxml2=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_mpi4py=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_netcdf=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_png=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_tiff=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_zlib=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_doubleconversion=ON '
+configopts += '-DVTK_MODULE_USE_EXTERNAL_VTK_eigen=ON '
+
+# --- ParaView Extra-Reader --- #
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_CDIReader=ON '
+configopts += '-DPARAVIEW_PLUGIN_ENABLE_ParFlow=ON '
+configopts += '-DPARAVIEW_ENABLE_MOTIONFX=ON '
+# configopts += '-DPARAVIEW_ENABLE_FIDES=ON ' # req. ADIOS2 as dependency
+# configopts += '-DPARAVIEW_ENABLE_GDAL=ON ' # req. GDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_LAS=ON ' # req. LAS as dependency
+# configopts += '-DPARAVIEW_ENABLE_PDAL=ON ' # req. PDAL as dependency
+# configopts += '-DPARAVIEW_ENABLE_OPENVDB=ON ' # req. OpenVDB as dependency
+
+# https://gitlab.kitware.com/paraview/visitbridge/-/blob/master/databases/CMakeLists.txt
+configopts += '-DPARAVIEW_ENABLE_VISITBRIDGE=ON '
+configopts += '-DVTK_MODULE_ENABLE_ParaView_IOVisItBridge=YES '
+# configopts += '-DVISIT_BUILD_READER_Boxlib3D=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Mili=ON ' # req. external dependency
+# configopts += '-DVISIT_BUILD_READER_Silo=ON ' # req. external dependency
+# https://gitlab.kitware.com/vtk/vtk/-/merge_requests/7503
+# configopts += '-DVISIT_BUILD_READER_Nek5000=ON ' # MR still open
+
+postinstallcmds = [
+ 'python -m compileall %(installdir)s/lib64/python%(pyshortver)s/site-packages/',
+ # 'cp -a %s %s' % (local_buildsrc, local_installsrc), # copy source from build dir to install dir
+ # '', # move debug info to separate files:
+ # http://stackoverflow.com/questions/866721/how-to-generate-gcc-debug-symbol-outside-the-build-target
+ # '', # debugedit -i --base-dir=%(builddir)s/ParaView-v%(version)s --dest-dir= %(installdir)s/src <file.debug>
+ # # change path to source in debug info
+]
+
+modextravars = {
+ 'PARAVIEW_VTK_DIR': '%(installdir)s/lib64/cmake/paraview-%(version_major_minor)/vtk',
+ # 'CUDA_VISIBLE_DEVICES': '0,1',
+ # OpenSWR fully supports OpenGL 3.0 and most of 3.3, but ParaView requires 3.3 -> clame to fully support 3.3
+ 'MESA_GL_VERSION_OVERRIDE': '3.3',
+ 'MESA_GLSL_VERSION_OVERRIDE': '330',
+ # OpenMP will choose an optimum number of threads by default, which is usually the number of cores
+ # 'OMP_NUM_THREADS': '28', # fix number of threads used by paraview filters and parallel sections in the code
+ # threads used by ospray - details https://github.com/ospray/ospray/blob/release-2.0.x/ospray/api/Device.cpp#L88
+ # unset => OSPRAY uses all hardware threads
+ # 'OSPRAY_THREADS': '14', # OSPRay < 2.0
+ # 'OSPRAY_NUM_THREADS': '14', # OSPRay >= 2.0
+ # When TBB is used for OSPRAY: tbb::task_scheduler_init::default_num_threads() is default if no OSPRAY_NUM_THREADS
+ # https://github.com/ospray/ospcommon/blob/master/ospcommon/tasking/detail/tasking_system_init.cpp#L47
+ # https://www.threadingbuildingblocks.org/docs/doxygen/a00150.html
+ # more ospray definitions: https://www.ospray.org/documentation.html#environment-variables
+ # max. threads used by OpenSWR (limited by number of hardware threads)
+ 'KNOB_MAX_WORKER_THREADS': '65535',
+ # details in https://gitlab.version.fz-juelich.de/vis/vis-software/issues/14
+ # more knob defs: https://github.com/mesa3d/mesa/blob/master/src/gallium/docs/source/drivers/openswr/knobs.rst
+ 'CATALYST_IMPLEMENTATION_NAME': 'paraview',
+ 'CATALYST_IMPLEMENTATION_PATHS': '%(installdir)s/lib64/catalyst',
+ # details in https://catalyst-in-situ.readthedocs.io/en/latest/for_simulation_developers.html#catalyst-initialize
+}
+
+modextrapaths = {
+ 'PYTHONPATH': [
+ 'lib64/python%(pyshortver)s/site-packages',
+ 'lib64/python%(pyshortver)s/site-packages/vtkmodules' # required by Trilinos Catalyst adapter
+ ],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaView/cdireader_update_issue5715.patch b/Golden_Repo/p/ParaView/cdireader_update_issue5715.patch
new file mode 100644
index 0000000000000000000000000000000000000000..102dab4802da16080a50703f159a3d51f1fd343a
--- /dev/null
+++ b/Golden_Repo/p/ParaView/cdireader_update_issue5715.patch
@@ -0,0 +1,3165 @@
+From 26251ad52273fc9d3aad86faa7cb0f56d6ebbdef Mon Sep 17 00:00:00 2001
+From: Florian Ziemen <ziemen@dkrz.de>
+Date: Fri, 22 Apr 2022 17:00:09 +0200
+Subject: [PATCH 1/5] Added support for multiple 2d levels in one file.
+
+CDI can assign different vertical axis id to 2d fields depending on
+netcdf atrribues of the variable (level_type=abc).
+We better accept that they all are 2d and merge them into one 2D thing.
+
+working towards support for multiple grids -- problems w/ ext grids.
+
+External grid files currently are trouble.
+
+Basically, the grid ids are diffent in the files, and we need to keep
+track of that and of which file we are looking at.
+
+Will be solved by having the grid and the data open simultaneously in
+commits to come.
+
+Starting to move file related things outside the main reader.
+
+Fixups for grid handling
+
+fixed a segfault in parallel mode on large grids
+
+double clon_vert[size2] is illegal in c++, as size2 is not known at
+compile time. On DKRZ's levante it leads to a segfault when accessing this
+for large (5km global) grids in parallel operation.
+
+Do not use BuildVarArrays for checking whether the variables are valid
+
+BuildVarArrays enables all variables in the SelectionStatus
+
+Caught a SetDimensions in statefile loading
+
+SetDimensinos gets called before setting the file name when loading a
+state file. This gets rid of a warning message in that case.
+---
+ Plugins/CDIReader/Reader/CMakeLists.txt | 1 +
+ Plugins/CDIReader/Reader/DataSource.cxx | 56 +++
+ Plugins/CDIReader/Reader/DataSource.h | 39 ++
+ Plugins/CDIReader/Reader/vtkCDIReader.cxx | 572 +++++++++++-----------
+ Plugins/CDIReader/Reader/vtkCDIReader.h | 26 +-
+ 5 files changed, 417 insertions(+), 277 deletions(-)
+ create mode 100644 Plugins/CDIReader/Reader/DataSource.cxx
+ create mode 100644 Plugins/CDIReader/Reader/DataSource.h
+
+diff --git a/Plugins/CDIReader/Reader/CMakeLists.txt b/Plugins/CDIReader/Reader/CMakeLists.txt
+index 274104664b..7a1a985fe0 100644
+--- a/Plugins/CDIReader/Reader/CMakeLists.txt
++++ b/Plugins/CDIReader/Reader/CMakeLists.txt
+@@ -4,6 +4,7 @@ set(classes
+ set (sources
+ cdi_tools.cxx
+ projections.cxx
++ DataSource.cxx
+ )
+ set (private_headers
+ cdi_tools.h
+diff --git a/Plugins/CDIReader/Reader/DataSource.cxx b/Plugins/CDIReader/Reader/DataSource.cxx
+new file mode 100644
+index 0000000000..4f5075bb58
+--- /dev/null
++++ b/Plugins/CDIReader/Reader/DataSource.cxx
+@@ -0,0 +1,56 @@
++//#include "cdi_tools.h"
++#include "DataSource.h"
++#include "cdi.h"
++
++namespace DataSource
++{
++
++CDIObject::CDIObject(std::string newURI)
++{
++ this->openURI(newURI);
++}
++
++int CDIObject::openURI(std::string newURI)
++{
++ this->setVoid();
++ this->URI = newURI;
++
++ // check if we got either *.Grib or *.nc data
++ std::string check = this->URI.substr((URI.size() - 4), this->URI.size());
++ if (check == "grib" || check == ".grb")
++ {
++ this->type = GRIB;
++ }
++ else
++ {
++ this->type = NC;
++ }
++
++ this->StreamID = streamOpenRead(this->URI.c_str());
++ if (this->StreamID < 0)
++ {
++ this->setVoid();
++ return 0;
++ }
++
++ this->VListID = streamInqVlist(this->StreamID);
++ return 1;
++}
++
++void CDIObject::setVoid()
++{
++ if (this->StreamID > -1)
++ streamClose(this->StreamID);
++
++ StreamID = -1;
++ VListID = -1;
++ type = VOID;
++}
++
++CDIObject::~CDIObject()
++{
++ URI = "";
++ this->setVoid();
++}
++
++};
+diff --git a/Plugins/CDIReader/Reader/DataSource.h b/Plugins/CDIReader/Reader/DataSource.h
+new file mode 100644
+index 0000000000..f3749f2f21
+--- /dev/null
++++ b/Plugins/CDIReader/Reader/DataSource.h
+@@ -0,0 +1,39 @@
++#ifndef CDI_DATA_SOURCE
++#define CDI_DATA_SOURCE
++
++#include <string>
++
++namespace DataSource
++{
++class CDIObject
++{
++ enum stype
++ {
++ VOID,
++ GRIB,
++ NC
++ };
++ std::string URI;
++ int StreamID;
++ int VListID;
++ stype type;
++
++public:
++ void setVoid();
++ CDIObject(std::string URI);
++ CDIObject()
++ {
++ this->StreamID = -1;
++ this->setVoid();
++ }
++ ~CDIObject();
++ int openURI(std::string URI);
++ std::string getURI() const { return URI; }
++ int getStreamID() const { return StreamID; }
++ int getVListID() const { return VListID; }
++ stype getType() const { return type; }
++ bool isVoid() const { return this->type == VOID; }
++};
++
++};
++#endif // CDI_DATA_SOURCE
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.cxx b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+index 2a1916bb61..28bd568721 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.cxx
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+@@ -57,6 +57,7 @@ SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+ #include "vtksys/FStream.hxx"
+ #include "vtksys/SystemTools.hxx"
+
++#include "DataSource.h"
+ #include "cdi_tools.h"
+
+ #include <set>
+@@ -176,8 +177,6 @@ vtkCDIReader::vtkCDIReader()
+ this->SetNumberOfInputPorts(0);
+ this->SetNumberOfOutputPorts(1);
+
+- this->StreamID = -1;
+- this->VListID = -1;
+ this->VariableDimensions = vtkSmartPointer<vtkStringArray>::New();
+ this->AllDimensions = vtkSmartPointer<vtkStringArray>::New();
+ this->AllVariableArrayNames = vtkSmartPointer<vtkStringArray>::New();
+@@ -231,13 +230,6 @@ void vtkCDIReader::DestroyData()
+ vtkCDIReader::~vtkCDIReader()
+ {
+ vtkDebugMacro("Destructing vtkCDIReader...");
+- this->SetFileName(nullptr);
+-
+- if (this->StreamID >= 0)
+- {
+- streamClose(this->StreamID);
+- this->StreamID = -1;
+- }
+
+ this->DestroyData();
+
+@@ -307,9 +299,13 @@ int vtkCDIReader::RequestInformation(
+
+ vtkDebugMacro("In vtkCDIReader::RequestInformation setting VerticalLevelRange");
+ this->VerticalLevelRange[0] = 0;
+- this->VerticalLevelRange[1] = this->MaximumNVertLevels - 1;
++ if (VerticalLevelRange[1] != this->MaximumNVertLevels - 1)
++ {
++ this->VerticalLevelRange[1] = this->MaximumNVertLevels - 1;
++ this->Modified();
++ }
+
+- if (!this->BuildVarArrays())
++ if (!this->GetVars())
+ {
+ return 0;
+ }
+@@ -334,9 +330,9 @@ vtkSmartPointer<vtkDoubleArray> vtkCDIReader::ReadTimeAxis()
+ if ((this->FileSeriesNumber == 0) && (!this->TimeSet))
+ {
+
+- int taxisID = vlistInqTaxis(this->VListID);
++ int taxisID = vlistInqTaxis(this->DataFile.getVListID());
+ int calendar = taxisInqCalendar(taxisID);
+- streamInqTimestep(this->StreamID, 0);
++ streamInqTimestep(this->DataFile.getStreamID(), 0);
+ int vdate = taxisInqVdate(taxisID);
+ int vtime = taxisInqVtime(taxisID);
+
+@@ -371,9 +367,9 @@ vtkSmartPointer<vtkDoubleArray> vtkCDIReader::ReadTimeAxis()
+ int end = start + this->NumberOfTimeSteps;
+ for (int step = start; step < end; step++)
+ {
+- int taxisID = vlistInqTaxis(this->VListID);
++ int taxisID = vlistInqTaxis(this->DataFile.getVListID());
+ int calendar = taxisInqCalendar(taxisID);
+- streamInqTimestep(this->StreamID, counter);
++ streamInqTimestep(this->DataFile.getStreamID(), counter);
+ int vdate = taxisInqVdate(taxisID);
+ int vtime = taxisInqVtime(taxisID);
+ double timevalue = date_to_julday(calendar, vdate);
+@@ -629,7 +625,7 @@ int vtkCDIReader::RegenerateVariables()
+ this->NumberOfCellVars = 0;
+ this->NumberOfDomainVars = 0;
+
+- if (!this->GetDims())
++ if (this->FileName.empty() || !this->GetDims())
+ {
+ return 0;
+ }
+@@ -769,9 +765,8 @@ void vtkCDIReader::SetDefaults()
+ this->DTime = 0;
+ this->FileSeriesNumber = 0;
+ this->NumberOfFiles = 1;
+- this->NeedHorizontalGridFile = false;
+ this->NeedVerticalGridFile = false;
+-
++ this->GridID = -1;
+ this->NumberOfProcesses = 1;
+
+ this->BuildDomainArrays = false;
+@@ -786,50 +781,14 @@ void vtkCDIReader::SetDefaults()
+ //----------------------------------------------------------------------------
+ // Get dimensions of key NetCDF variables
+ //----------------------------------------------------------------------------
+-int vtkCDIReader::OpenFile()
+-{
+- // check if we got either *.Grib or *.nc data
+- std::string file = this->FileName;
+- std::string check = file.substr((file.size() - 4), file.size());
+- if (check == "grib" || check == ".grb")
+- {
+- this->Grib = true;
+- }
+- else
+- {
+- this->Grib = false;
+- }
+-
+- if (this->StreamID >= 0)
+- {
+- streamClose(this->StreamID);
+- this->StreamID = -1;
+- this->VListID = -1;
+- }
+-
+- this->StreamID = streamOpenRead(this->FileNameGrid.c_str());
+- if (this->StreamID < 0)
+- {
+- return 0;
+- }
+-
+- vtkDebugMacro("In vtkCDIReader::RequestInformation read file okay");
+- this->VListID = streamInqVlist(this->StreamID);
+-
+- int nvars = vlistNvars(this->VListID);
+- char varname[CDI_MAX_NAME];
+- for (int varID = 0; varID < nvars; ++varID)
+- {
+- vlistInqVarName(this->VListID, varID, varname);
+- }
+-
+- return 1;
+-}
+
+ //----------------------------------------------------------------------------
+ void vtkCDIReader::GuessGridFile()
+ {
+- std::string fallback = vtksys::SystemTools::GetParentDirectory(this->FileName) + "/grid.nc";
++ std::string fallback = vtksys::SystemTools::GetParentDirectory(this->FileName);
++ if (fallback.empty())
++ fallback = ".";
++ fallback += "/grid.nc";
+
+ std::string guess;
+ if (!this->Grib)
+@@ -839,15 +798,22 @@ void vtkCDIReader::GuessGridFile()
+ {
+ if (vtksys::SystemTools::TestFileAccess(guess, vtksys::TEST_FILE_READ))
+ {
+- this->FileNameGrid = guess;
+- return;
++ this->GridFile.openURI(guess);
++ if (this->GridFile.isVoid())
++ {
++ vtkWarningMacro("Cannot handle grid file "
++ << guess << " indicated by grid_file_uri attribute in " << this->FileName
++ << " Trying fallback guess " << fallback);
++ }
++ else
++ return;
+ }
+ else
+- vtkWarningMacro("Could not find grid file "
++ vtkWarningMacro("Cannot open grid file "
+ << guess << " indicated by grid_file_uri attribute in " << this->FileName
+ << " Trying fallback guess " << fallback);
+ }
+- this->FileNameGrid = fallback;
++ this->GridFile.openURI(fallback);
+ }
+
+ //----------------------------------------------------------------------------
+@@ -855,147 +821,132 @@ void vtkCDIReader::GuessGridFile()
+ //----------------------------------------------------------------------------
+ int vtkCDIReader::GetDims()
+ {
+- if (!this->FileName.empty())
++ if (this->FileName.empty())
+ {
+- this->FileNameGrid = this->FileName;
+- if (this->VListID < 0 || this->StreamID < 0)
+- {
+- if (!this->OpenFile())
+- {
+- return 0;
+- }
+- }
+-
+- this->ReadHorizontalGridData();
+- if (this->NeedHorizontalGridFile)
+- {
+- // if there is no grid information in the data file, try opening
+- // an additional grid file named grid.nc in the same directory to
+- // read in the grid information
+- if (this->StreamID >= 0)
+- {
+- streamClose(this->StreamID);
+- this->StreamID = -1;
+- this->VListID = -1;
+- }
++ vtkErrorMacro("No file name provided. Cannot get dimensions");
++ return 0;
++ }
+
+- char* directory = new char[strlen(this->FileName.c_str()) + 1];
+- strcpy(directory, this->FileName.c_str());
++ DataFile.openURI(FileName);
++ if (DataFile.isVoid())
++ {
++ vtkErrorMacro("GetDims: Could not open " << DataFile.getURI());
++ return 0;
++ }
+
+- this->GuessGridFile();
+- if (!this->OpenFile())
+- {
+- return 0;
+- }
+- if (!this->ReadHorizontalGridData())
+- {
+- vtkErrorMacro("Couldn't open grid information in data nor in the grid file.");
+- return 0;
+- }
++ if (GridFile.isVoid())
++ GridFile.openURI(FileName);
++ if (GridFile.isVoid())
++ {
++ vtkErrorMacro("GetDims: Could not open horizontal grid file.\nTried " << GridFile.getURI());
++ return 0;
++ }
+
+- this->FileNameGrid = this->FileName;
+- if (!this->OpenFile())
+- {
+- return 0;
+- }
++ if (!this->ReadHorizontalGridData())
++ {
++ this->GuessGridFile();
++ if (!this->ReadHorizontalGridData())
++ {
++ vtkErrorMacro("Could not get horizontal Grid. \nTried " << GridFile.getURI());
++ return 0;
+ }
++ }
+
+- this->ReadVerticalGridData();
+- if (this->NeedVerticalGridFile)
+- {
+- // if there is no grid information in the data file, try opening
+- // an additional grid file named grid.nc in the same directory to
+- // read in the grid information
+- if (this->StreamID >= 0)
+- {
+- streamClose(this->StreamID);
+- this->StreamID = -1;
+- this->VListID = -1;
+- }
++ VGridFile.openURI(FileName);
++ int found = ReadVerticalGridData();
++ if (!found)
++ {
++ VGridFile.openURI(GridFile.getURI());
++ found = ReadVerticalGridData();
++ }
+
+- char* directory = new char[strlen(this->FileName.c_str()) + 1];
+- strcpy(directory, this->FileName.c_str());
+- if (!this->OpenFile())
+- {
+- return 0;
+- }
++ if (!found)
++ {
++ vtkErrorMacro("Could not get Vertical grid");
++ return 0;
++ }
+
+- if (!this->ReadVerticalGridData())
+- {
+- vtkDebugMacro("Couldn't neither open grid information within the data netCDF file, nor "
+- "in the grid.nc file.");
+- vtkErrorMacro("Couldn't neither open grid information within the data netCDF file, nor "
+- "in the grid.nc file.");
+- return 0;
+- }
++ this->FillGridDimensions();
+
+- this->FileNameGrid = this->FileName;
+- if (!this->OpenFile())
++ try
++ {
++ if (this->DimensionSelection >= 0)
++ {
++ if (DimensionSelection >= DimensionSets.size())
+ {
++ vtkErrorMacro("Trying to select inexistent dimensionset "
++ << DimensionSelection << " " << DimensionSets.size() << " are available.");
+ return 0;
+ }
++ for (int i = 0; i < Grids.size(); i++)
++ if (this->DimensionSets.at(this->DimensionSelection).GridSize == Grids.at(i).Size)
++ {
++ this->DimensionSets.at(this->DimensionSelection).GridID = Grids.at(i).GridID;
++ this->GridID = i;
++ }
++ this->ZAxisID = this->DimensionSets.at(this->DimensionSelection).ZAxisID;
++ vtkDebugMacro("NEW ZAxisID" << ZAxisID << " from "
++ << this->DimensionSets.at(this->DimensionSelection).ZAxisID);
+ }
++ }
++ catch (const std::out_of_range& oor)
++ {
++ vtkErrorMacro("Out of Range error in GetDims trying to set Grid and ZAxisID: " << oor.what());
++ return 0;
++ }
+
+- if (this->DimensionSelection > 0)
+- {
+- vlistNgrids(this->VListID);
+- int nzaxis = vlistNzaxis(this->VListID);
+-
+- this->GridID = vlistGrid(this->VListID, this->DimensionSelection / nzaxis);
+- this->ZAxisID = vlistZaxis(
+- this->VListID, this->DimensionSelection - (nzaxis * this->DimensionSelection / nzaxis));
+- }
+-
+- if (this->GridID != -1)
+- {
+- this->NumberOfCells = static_cast<int>(gridInqSize(this->GridID));
+-
+- if (this->NumberOfPoints and
+- this->NumberOfPoints != static_cast<int>(gridInqSize(this->GridID)))
+- vtkDebugMacro("GetDims: Changing number of points from "
+- << this->NumberOfPoints << " to " << static_cast<int>(gridInqSize(this->GridID)));
+- this->NumberOfPoints = static_cast<int>(gridInqSize(this->GridID));
+- this->PointsPerCell = gridInqNvertex(this->GridID);
+- }
+-
+- int ntsteps = 0;
+- if (this->Grib)
+- {
+- while (streamInqTimestep(this->StreamID, ntsteps))
+- ntsteps++;
+- }
+- else
++ try
++ {
++ if (GridID != -1 && Grids.at(this->GridID).GridID != -1)
+ {
+- ntsteps = vlistNtsteps(this->VListID);
+- }
+- this->NumberOfTimeSteps = ntsteps;
++ this->NumberOfCells = static_cast<int>(Grids.at(GridID).Size);
+
+- this->MaximumNVertLevels = 1;
+- if (this->ZAxisID != -1)
+- {
+- this->MaximumNVertLevels = zaxisInqSize(this->ZAxisID);
++ if (this->NumberOfPoints and this->NumberOfPoints != this->NumberOfCells)
++ vtkDebugMacro("GetDims: Changing number of points from " << this->NumberOfPoints << " to "
++ << this->NumberOfCells);
++ this->NumberOfPoints = this->NumberOfCells;
++ this->PointsPerCell = Grids.at(this->GridID).PointsPerCell;
++ vtkDebugMacro("GetDims: Found PointsPerCell to be " << this->PointsPerCell << " for grid "
++ << this->GridID);
+ }
++ }
++ catch (const std::out_of_range& oor)
++ {
++ vtkErrorMacro("Out of Range error in GetDims trying to set NumberOfPoints " << oor.what());
++ vtkErrorMacro("Grids.size " << Grids.size() << "\t GridID " << GridID);
++ return 0;
++ }
+
+- this->FillGridDimensions();
++ int ntsteps = 0;
++ if (this->Grib)
++ {
++ while (streamInqTimestep(this->DataFile.getStreamID(), ntsteps))
++ ntsteps++;
+ }
+ else
+ {
+- vtkDebugMacro("No Filename yet set!");
++ ntsteps = vlistNtsteps(this->DataFile.getVListID());
++ }
++ this->NumberOfTimeSteps = ntsteps;
++
++ this->MaximumNVertLevels = 1;
++ if (this->ZAxisID != -1)
++ {
++ this->MaximumNVertLevels = zaxisInqSize(this->ZAxisID);
+ }
+
+ return 1;
+ }
+
+-//----------------------------------------------------------------------------
++//---------------------------------------------------------------------------------------------------
+ // Read Horizontal Grid Data
+-//----------------------------------------------------------------------------
++// Checks if there is at least one grid with >= 3 vertices, and if yes, sets GridID to this grid's
++// ID
++//---------------------------------------------------------------------------------------------------
+ int vtkCDIReader::ReadHorizontalGridData()
+ {
+- int vlistID_l = this->VListID;
+- this->GridID = -1;
+- this->ZAxisID = -1;
+- this->SurfID = -1;
+-
++ Grids.resize(0);
++ int vlistID_l = this->GridFile.getVListID();
+ int ngrids = vlistNgrids(vlistID_l);
+ for (int i = 0; i < ngrids; ++i)
+ {
+@@ -1004,17 +955,13 @@ int vtkCDIReader::ReadHorizontalGridData()
+
+ if (nv >= 3) // ((nv == 3 || nv == 4)) // && gridInqType(gridID_l) == GRID_UNSTRUCTURED)
+ {
+- this->GridID = gridID_l;
+- break;
++ Grid grid{ .GridID = gridID_l, .Size = gridInqSize(gridID_l), .PointsPerCell = nv };
++ Grids.push_back(grid);
+ }
+ }
+
+- if (this->GridID == -1)
+- {
+- this->NeedHorizontalGridFile = true;
++ if (Grids.size() == 0)
+ return 0;
+- }
+-
+ return 1;
+ }
+
+@@ -1024,37 +971,30 @@ int vtkCDIReader::ReadHorizontalGridData()
+ int vtkCDIReader::ReadVerticalGridData()
+ {
+ this->ZAxisID = -1;
+- this->SurfID = -1;
+- int nzaxis = vlistNzaxis(this->VListID);
+-
++ int nzaxis = vlistNzaxis(this->VGridFile.getVListID());
++ int found = 0;
+ for (int i = 0; i < nzaxis; ++i)
+ {
+- int zaxisID_l = vlistZaxis(this->VListID, i);
++ int zaxisID_l = vlistZaxis(this->VGridFile.getVListID(), i);
+ if (zaxisInqSize(zaxisID_l) == 1 || zaxisInqType(zaxisID_l) == ZAXIS_SURFACE)
+ {
+- this->SurfID = zaxisID_l;
+- this->ZAxisID = zaxisID_l;
+- break;
++ this->SurfIDs.insert(zaxisID_l);
++
++ found = 1;
+ }
+ }
+
+ for (int i = 0; i < nzaxis; ++i)
+ {
+- int zaxisID_l = vlistZaxis(this->VListID, i);
++ int zaxisID_l = vlistZaxis(this->VGridFile.getVListID(), i);
+ if (zaxisInqSize(zaxisID_l) > 1)
+ {
+- this->ZAxisID = zaxisID_l;
++ found = 1;
+ break;
+ }
+ }
+
+- if (this->ZAxisID == -1)
+- {
+- this->NeedVerticalGridFile = true;
+- return 0;
+- }
+-
+- return 1;
++ return found;
+ }
+
+ //----------------------------------------------------------------------------
+@@ -1065,37 +1005,42 @@ int vtkCDIReader::GetVars()
+ int cellVarIndex = -1;
+ int pointVarIndex = -1;
+ int domainVarIndex = -1;
++ int numVars = vlistNvars(this->DataFile.getVListID());
++
++ vtkDebugMacro("Found " << numVars << " as Variables for VListID " << this->DataFile.getVListID());
+
+- int numVars = vlistNvars(this->VListID);
+ for (int i = 0; i < numVars; i++)
+ {
+ int varID = i;
+ cdi_tools::CDIVar aVar;
+
+- aVar.StreamID = this->StreamID;
++ aVar.StreamID = this->DataFile.getStreamID();
+ aVar.VarID = varID;
+- aVar.GridID = vlistInqVarGrid(this->VListID, varID);
+- aVar.ZAxisID = vlistInqVarZaxis(this->VListID, varID);
++ aVar.GridID = vlistInqVarGrid(this->DataFile.getVListID(), varID);
++ aVar.ZAxisID = vlistInqVarZaxis(this->DataFile.getVListID(), varID);
+ aVar.GridSize = static_cast<int>(gridInqSize(aVar.GridID));
+ aVar.NLevel = zaxisInqSize(aVar.ZAxisID);
+ aVar.Type = 0;
+ aVar.ConstTime = 0;
++ vlistInqVarName(this->DataFile.getVListID(), varID, aVar.Name);
++ vtkDebugMacro("Processing variable " << i << '\t' << aVar.Name);
+
+ // to do multiple grids:
+ // - Check how many grids are available
+ // - Check if all grids can be reconstructed, or if bnds are all zero
+ // - Reform gui to load either Cell, Point or Edge data
+
+- if (vlistInqVarTsteptype(this->VListID, varID) == TIME_CONSTANT)
++ if (vlistInqVarTsteptype(this->DataFile.getVListID(), varID) == TIME_CONSTANT)
+ {
+ aVar.ConstTime = 1;
+ }
+- if (aVar.ZAxisID != this->ZAxisID && aVar.ZAxisID != this->SurfID)
++ if (aVar.ZAxisID != this->ZAxisID && SurfIDs.count(aVar.ZAxisID) == 0)
++ // We are handling a different 3D Axis.
+ {
++ vtkDebugMacro("Skipping " << aVar.Name << " as it has the wrong ZAxis " << aVar.ZAxisID);
+ continue;
+ }
+
+- vlistInqVarName(this->VListID, varID, aVar.Name);
+ aVar.Type = 2;
+ if (aVar.NLevel > 1)
+ {
+@@ -1112,19 +1057,23 @@ int vtkCDIReader::GetVars()
+ }
+ else if ((aVar.GridSize < this->NumberOfCells) && (this->PointsPerCell == 3))
+ {
++ vtkDebugMacro("Skipping " << aVar.Name << " as it has the wrong GridSize " << aVar.GridSize
++ << " != " << this->NumberOfCells);
+ if (this->NumberOfPoints and this->NumberOfPoints != aVar.GridSize)
+ {
+ vtkWarningMacro("Not adding "
+ << aVar.Name << " as point var, as it's size " << aVar.GridSize
+ << " does not correspond to our understanding of the correct size for 'the' point grid: "
+ << this->NumberOfPoints);
+- break;
++ continue;
+ }
+ isPointData = true;
+ this->NumberOfPoints = aVar.GridSize;
+ }
+ else
+ {
++ vtkDebugMacro("Skipping " << aVar.Name << " as it has the wrong GridSize " << aVar.GridSize
++ << " != " << this->NumberOfCells);
+ continue;
+ }
+
+@@ -1240,7 +1189,7 @@ int vtkCDIReader::BuildVarArrays()
+ << " NumberOfPointVars: " << this->NumberOfPointVars);
+ if (this->NumberOfCellVars == 0)
+ {
+- vtkErrorMacro("No cell variables found!");
++ vtkDebugMacro("No cell variables found!");
+ }
+
+ for (int var = 0; var < this->NumberOfPointVars; var++)
+@@ -1443,39 +1392,63 @@ int vtkCDIReader::ConstructGridGeometry()
+ CHECK_NEW(this->DepthVar);
+
+ vtkDebugMacro("Start reading Vertices");
+- gridInqXboundsPart(
+- this->GridID, (this->BeginCell * this->PointsPerCell), size, cLonVertices.data());
+- gridInqYboundsPart(
+- this->GridID, (this->BeginCell * this->PointsPerCell), size, cLatVertices.data());
++ try
++ {
++ gridInqXboundsPart(Grids.at(this->GridID).GridID, (this->BeginCell * this->PointsPerCell), size,
++ cLonVertices.data());
++ gridInqYboundsPart(Grids.at(this->GridID).GridID, (this->BeginCell * this->PointsPerCell), size,
++ cLatVertices.data());
++ }
++ catch (const std::out_of_range& oor)
++ {
++ vtkErrorMacro(
++ "Out of Range error trying to get the grid id for reading vertices: " << oor.what());
++ return 0;
++ }
+ vtkDebugMacro("Done reading Vertices");
++ vtkDebugMacro("Getting vertical axis" << this->ZAxisID << " expecting up to "
++ << this->MaximumNVertLevels << " levels.");
+ zaxisInqLevels(this->ZAxisID, this->DepthVar);
++ vtkDebugMacro("Got vertical axis" << this->ZAxisID);
+ char units[CDI_MAX_NAME];
+ this->OrigConnections.resize(size);
+ int new_cells[2];
+-
+- if (this->ProjectionMode != projection::CATALYST)
++ try
+ {
+- gridInqXunits(this->GridID, units);
+- if (strncmp(units, "degree", 6) == 0)
++ if (this->ProjectionMode != projection::CATALYST)
+ {
+- for (int i = 0; i < size; i++)
++ gridInqXunits(Grids.at(this->GridID).GridID, units);
++ if (strncmp(units, "degree", 6) == 0)
+ {
+- cLonVertices[i] = vtkMath::RadiansFromDegrees(cLonVertices[i]);
++ for (int i = 0; i < size; i++)
++ {
++ cLonVertices[i] = vtkMath::RadiansFromDegrees(cLonVertices[i]);
++ }
+ }
+- }
+- gridInqYunits(this->GridID, units);
+- if (strncmp(units, "degree", 6) == 0)
+- {
+- for (int i = 0; i < size; i++)
++ gridInqYunits(Grids.at(this->GridID).GridID, units);
++ if (strncmp(units, "degree", 6) == 0)
+ {
+- cLatVertices[i] = vtkMath::RadiansFromDegrees(cLatVertices[i]);
++ for (int i = 0; i < size; i++)
++ {
++ cLatVertices[i] = vtkMath::RadiansFromDegrees(cLatVertices[i]);
++ }
+ }
+ }
+ }
++ catch (const std::out_of_range& oor)
++ {
++ vtkErrorMacro("Out of Range error trying to get the grid id for getting the coordinate units "
++ "for projecting: "
++ << oor.what());
++ return 0;
++ }
+
+ // check for duplicates in the Point list and update the triangle list
++ vtkDebugMacro("Removing duplicates for clon/clat, size = " << size);
++
+ this->RemoveDuplicates(
+ cLonVertices.data(), cLatVertices.data(), size, &this->OrigConnections[0], new_cells);
++ vtkDebugMacro("Removed duplicates for clon/clat");
+ this->NumberLocalCells = new_cells[0] / this->PointsPerCell;
+ this->NumberLocalPoints = new_cells[1];
+ if (this->NumberOfPoints and this->NumberOfPoints != new_cells[1])
+@@ -1524,31 +1497,43 @@ int vtkCDIReader::ConstructGridGeometry()
+ if (this->Piece == 0)
+ {
+ int new_cells2[2];
+- double clon_vert2[size2];
+- double clat_vert2[size2];
+-
+- gridInqXboundsPart(this->GridID, 0, size2, clon_vert2);
+- gridInqYboundsPart(this->GridID, 0, size2, clat_vert2);
+-
+- gridInqXunits(this->GridID, units);
+- if (strncmp(units, "degree", 6) == 0)
++ std::vector<double> clon_vert2(size2);
++ std::vector<double> clat_vert2(size2);
++ try
+ {
+- for (int i = 0; i < size2; i++)
++ gridInqXboundsPart(Grids.at(this->GridID).GridID, 0, size2, clon_vert2.data());
++ gridInqYboundsPart(Grids.at(this->GridID).GridID, 0, size2, clat_vert2.data());
++
++ gridInqXunits(Grids.at(this->GridID).GridID, units);
++ if (strncmp(units, "degree", 6) == 0)
+ {
+- clon_vert2[i] = vtkMath::RadiansFromDegrees(clon_vert2[i]);
++ for (int i = 0; i < size2; i++)
++ {
++ clon_vert2[i] = vtkMath::RadiansFromDegrees(clon_vert2[i]);
++ }
+ }
+- }
+
+- gridInqYunits(this->GridID, units);
+- if (strncmp(units, "degree", 6) == 0)
+- {
+- for (int i = 0; i < size2; i++)
++ gridInqYunits(Grids.at(this->GridID).GridID, units);
++ if (strncmp(units, "degree", 6) == 0)
+ {
+- clat_vert2[i] = vtkMath::RadiansFromDegrees(clat_vert2[i]);
++ for (int i = 0; i < size2; i++)
++ {
++ clat_vert2[i] = vtkMath::RadiansFromDegrees(clat_vert2[i]);
++ }
+ }
+ }
++ catch (const std::out_of_range& oor)
++ {
++ vtkErrorMacro(
++ "Out of Range error trying to get the grid id for converting lat/lon in parallel: "
++ << oor.what());
++ return 0;
++ }
++
++ vtkDebugMacro("Removing duplicates for clon/clat2");
+
+- this->RemoveDuplicates(clon_vert2, clat_vert2, size2, vertex_ids2.data(), new_cells2);
++ this->RemoveDuplicates(
++ clon_vert2.data(), clat_vert2.data(), size2, vertex_ids2.data(), new_cells2);
+ for (int i = 1; i < this->NumPieces; i++)
+ {
+ this->Controller->Send(vertex_ids2.data(), size2, i, 101);
+@@ -1676,25 +1661,38 @@ int vtkCDIReader::LoadClonClatVars()
+ std::vector<double> cLon_l(this->NumberLocalCells);
+ std::vector<double> cLat_l(this->NumberLocalCells);
+
+- gridInqXvalsPart(this->GridID, this->BeginCell, this->NumberLocalCells, cLon_l.data());
+- gridInqYvalsPart(this->GridID, this->BeginCell, this->NumberLocalCells, cLat_l.data());
++ gridInqXvalsPart(
++ Grids.at(this->GridID).GridID, this->BeginCell, this->NumberLocalCells, cLon_l.data());
++ gridInqYvalsPart(
++ Grids.at(this->GridID).GridID, this->BeginCell, this->NumberLocalCells, cLat_l.data());
+
+ char units[CDI_MAX_NAME];
+- gridInqXunits(this->GridID, units);
+- if (strncmp(units, "degree", 6) == 0)
++
++ try
+ {
+- for (int i = 0; i < this->NumberLocalCells; i++)
++ gridInqXunits(Grids.at(this->GridID).GridID, units);
++ if (strncmp(units, "degree", 6) == 0)
++ {
++ for (int i = 0; i < this->NumberLocalCells; i++)
++ {
++ cLon_l[i] = vtkMath::RadiansFromDegrees(cLon_l[i]);
++ }
++ }
++ gridInqYunits(Grids.at(this->GridID).GridID, units);
++ if (strncmp(units, "degree", 6) == 0)
+ {
+- cLon_l[i] = vtkMath::RadiansFromDegrees(cLon_l[i]);
++ for (int i = 0; i < this->NumberLocalCells; i++)
++ {
++ cLat_l[i] = vtkMath::RadiansFromDegrees(cLat_l[i]);
++ }
+ }
+ }
+- gridInqYunits(this->GridID, units);
+- if (strncmp(units, "degree", 6) == 0)
++ catch (const std::out_of_range& oor)
+ {
+- for (int i = 0; i < this->NumberLocalCells; i++)
+- {
+- cLat_l[i] = vtkMath::RadiansFromDegrees(cLat_l[i]);
+- }
++ vtkErrorMacro(
++ "Out of Range error trying to get the grid id for converting lat/lon in LoadClonClatVars: "
++ << oor.what());
++ return 0;
+ }
+
+ if (this->ShowMultilayerView)
+@@ -1823,7 +1821,7 @@ int vtkCDIReader::CheckForMaskData()
+ {
+ const double maskVal = this->UseCustomMaskValue
+ ? this->CustomMaskValue
+- : vlistInqVarMissval(this->VListID, this->Internals->CellVars[mask_pos].VarID);
++ : vlistInqVarMissval(this->DataFile.getVListID(), this->Internals->CellVars[mask_pos].VarID);
+
+ cdi_tools::CDIVar* cdiVar = &(this->Internals->CellVars[mask_pos]);
+ if (this->ShowMultilayerView)
+@@ -1923,7 +1921,7 @@ bool vtkCDIReader::BuildDomainCellVars()
+ CHECK_NEW(this->DomainCellVar);
+ double val = 0;
+ int mask_pos = 0;
+- int numVars = vlistNvars(this->VListID);
++ int numVars = vlistNvars(this->DataFile.getVListID());
+
+ for (int i = 0; i < numVars; i++)
+ {
+@@ -2780,7 +2778,7 @@ int vtkCDIReader::LoadCellVarDataTemplate(
+ //------------------------------------------------------------------------------
+ int vtkCDIReader::ReplaceFillWithNan(const int varID, vtkDataArray* dataArray)
+ {
+- double miss = vlistInqVarMissval(this->VListID, varID);
++ double miss = vlistInqVarMissval(this->DataFile.getVListID(), varID);
+
+ // NaN only available with float and double.
+ if (dataArray->GetDataType() == VTK_FLOAT)
+@@ -3093,11 +3091,11 @@ int vtkCDIReader::LoadDomainVarData(int variableIndex)
+ //-----------------------------------------------------------------------------
+ int vtkCDIReader::FillGridDimensions()
+ {
+- int ngrids = vlistNgrids(this->VListID);
+- int nzaxis = vlistNzaxis(this->VListID);
+- int nvars = vlistNvars(this->VListID);
+- this->AllDimensions->SetNumberOfValues(0);
+- this->VariableDimensions->SetNumberOfValues(ngrids * nzaxis);
++ this->DimensionSets.resize(0);
++
++ int ngrids = vlistNgrids(this->DataFile.getVListID());
++ int nzaxis = vlistNzaxis(this->DataFile.getVListID());
++ int nvars = vlistNvars(this->DataFile.getVListID());
+ char nameGridX[CDI_MAX_NAME];
+ char nameGridY[CDI_MAX_NAME];
+ char nameLev[CDI_MAX_NAME];
+@@ -3106,40 +3104,59 @@ int vtkCDIReader::FillGridDimensions()
+
+ for (int k = 0; k < nvars; k++)
+ {
+- int i = vlistInqVarGrid(this->VListID, k);
+- int j = vlistInqVarZaxis(this->VListID, k);
++ int i = vlistInqVarGrid(this->DataFile.getVListID(), k);
++ int j = vlistInqVarZaxis(this->DataFile.getVListID(), k);
+ hits.insert(std::to_string(i) + "x" + std::to_string(j));
+ // IDs are not 0 to n-1 but can be 30-ish for a file with 3 grids.
+ // they map to the gridID_l and zaxisID_l values below.
+ // Thus we need to a map to catch rather unpredictable values.
+ }
+-
++ size_t counter = 0;
+ for (int i = 0; i < ngrids; ++i)
+ {
+ for (int j = 0; j < nzaxis; ++j)
+ {
+ std::string dimEncoding("(");
+- int gridID_l = vlistGrid(this->VListID, i);
++ int gridID_l = vlistGrid(this->DataFile.getVListID(), i);
+ gridInqXname(gridID_l, nameGridX);
+ gridInqYname(gridID_l, nameGridY);
+ dimEncoding += nameGridX;
+ dimEncoding += ", ";
+ dimEncoding += nameGridY;
+ dimEncoding += ", ";
+- int zaxisID_l = vlistZaxis(this->VListID, j);
++ int zaxisID_l = vlistZaxis(this->DataFile.getVListID(), j);
+ zaxisInqName(zaxisID_l, nameLev);
+ dimEncoding += nameLev;
+ dimEncoding += ")";
+
+ if (hits.count(std::to_string(gridID_l) + "x" + std::to_string(zaxisID_l)) == 0)
+ {
++ vtkDebugMacro("vtkCDIReader::FillGridDimensions: i, j, dimEncoding: "
++ << i << '\t' << j << "\t" << gridID_l << '\t' << zaxisID_l << "\t" << dimEncoding
++ << " - has no hits.\n");
+ continue; // skip empty grid combinations
+ }
++ vtkDebugMacro("vtkCDIReader::FillGridDimensions: i, j, GridID, ZAxisID, dimEncoding: "
++ << i << '\t' << j << "\t" << gridID_l << '\t' << zaxisID_l << "\t" << dimEncoding
++ << " - has hits.\n");
+
+- this->AllDimensions->InsertNextValue(dimEncoding);
+- this->VariableDimensions->SetValue(i * nzaxis + j, dimEncoding.c_str());
++ dimset ds{ .DimsetID = counter,
++ .GridID = -1,
++ .ZAxisID = zaxisID_l,
++ .GridSize = gridInqSize(gridID_l),
++ .NLevel = zaxisInqSize(zaxisID_l),
++ .label = dimEncoding };
++ DimensionSets.push_back(ds);
++ counter++;
+ }
+ }
++ this->AllDimensions->SetNumberOfValues(0);
++ this->VariableDimensions->SetNumberOfValues(counter);
++ for (int i = 0; i < counter; i++)
++ {
++ this->AllDimensions->InsertNextValue(DimensionSets[i].label);
++ this->VariableDimensions->SetValue(i, DimensionSets[i].label.c_str());
++ }
+
+ return 1;
+ }
+@@ -3149,6 +3166,7 @@ int vtkCDIReader::FillGridDimensions()
+ //-----------------------------------------------------------------------------
+ void vtkCDIReader::SetDimensions(const char* dimensions)
+ {
++ vtkDebugMacro("In SetDimensions");
+ for (vtkIdType i = 0; i < this->VariableDimensions->GetNumberOfValues(); i++)
+ {
+ if (this->VariableDimensions->GetValue(i) == dimensions)
+@@ -3172,7 +3190,10 @@ void vtkCDIReader::SetDimensions(const char* dimensions)
+ this->DestroyData();
+ this->RegenerateVariables();
+ if (this->GridReconstructed)
++ {
+ this->RegenerateGeometry();
++ }
++ vtkDebugMacro("Out SetDimensions");
+ }
+
+ //----------------------------------------------------------------------------
+@@ -3319,18 +3340,13 @@ const char* vtkCDIReader::GetDomainArrayName(int index)
+ }
+
+ //----------------------------------------------------------------------------
+-// Set to lat/lon (equidistant cylindrical) projection.
++// Load a new file.
+ //----------------------------------------------------------------------------
+ void vtkCDIReader::SetFileName(const char* val)
+ {
+ if (this->FileName.empty() || val == nullptr || strcmp(this->FileName.c_str(), val) != 0)
+ {
+- if (this->StreamID >= 0)
+- {
+- streamClose(this->StreamID);
+- this->StreamID = -1;
+- this->VListID = -1;
+- }
++ this->DataFile.setVoid();
+ this->Modified();
+ if (val == nullptr)
+ {
+@@ -3351,13 +3367,21 @@ void vtkCDIReader::SetVerticalLevel(int level)
+ {
+ if (this->VerticalLevelSelected != level)
+ {
+- if (level < 0 || level > this->MaximumNVertLevels - 1)
++ if (level < 0)
+ {
+ vtkErrorMacro("Requested inexistent vertical level: "
+ << level << ".\nThe level must be the in range [ 0 ; " << this->MaximumNVertLevels - 1
+ << " ].");
+ return;
+ }
++
++ if (level > this->MaximumNVertLevels - 1)
++ {
++ vtkWarningMacro("Requested inexistent vertical level: "
++ << level << ".\nThe level must be the in range [ 0 ; " << this->MaximumNVertLevels - 1
++ << " ]. \nTriying with 0.");
++ level = 0;
++ }
+ this->VerticalLevelSelected = level;
+ this->Modified();
+ vtkDebugMacro("Set VerticalLevelSelected to: " << level);
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.h b/Plugins/CDIReader/Reader/vtkCDIReader.h
+index 0e1001694c..44f9073a97 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.h
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.h
+@@ -46,7 +46,9 @@ SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+
+ #include "projections.h" // for projection enum
+
++#include "DataSource.h"
+ #include <memory> // for unique_ptr
++#include <unordered_set>
+ #include <vector> // for std::vector
+
+ class vtkCallbackCommand;
+@@ -54,6 +56,23 @@ class vtkDoubleArray;
+ class vtkFieldData;
+ class vtkMultiProcessController;
+
++struct dimset
++{
++ size_t DimsetID;
++ int GridID;
++ int ZAxisID;
++ size_t GridSize;
++ int NLevel;
++ std::string label;
++};
++
++struct Grid
++{
++ int GridID;
++ size_t Size;
++ int PointsPerCell;
++};
++
+ /**
+ *
+ * @class vtkCDIReader
+@@ -326,6 +345,8 @@ protected:
+ double Layer0OffsetRange[2];
+
+ int DimensionSelection;
++ std::vector<dimset> DimensionSets;
++ std::vector<Grid> Grids;
+ bool InvertZAxis;
+ bool AddCoordinateVars;
+ projection::Projection ProjectionMode;
+@@ -370,11 +391,10 @@ protected:
+ int NumberOfDomainVars;
+ bool GridReconstructed;
+
+- int StreamID;
+- int VListID;
++ DataSource::CDIObject DataFile, GridFile, VGridFile;
+ int GridID;
+ int ZAxisID;
+- int SurfID;
++ std::unordered_set<int> SurfIDs;
+
+ std::string TimeUnits;
+ std::string Calendar;
+--
+GitLab
+
+
+From 772c2460e34deeb47c3d716283299190f3d51e7a Mon Sep 17 00:00:00 2001
+From: Nils-Arne Dreier <dreier@dkrz.de>
+Date: Wed, 2 Nov 2022 19:38:06 +0100
+Subject: [PATCH 2/5] clean up and formating
+
+including:
+- move internal things to unnamed namespace in vtkCDIReader.cxx
+- move structs to unnamed namespace
+- captitalize struct name Dimset
+- add missing braces
+- add `this->` where appropriate
+- no need to clear std::vector before they go out of scope
+- explicit cast int to `size_t` to avoid narrowing conversion warning
+- move variables which type is in unnamed namespace to Internals
+- prevent crash if no grid file is available
+- capitalize member variable `Type`
+- fix warning `size()==0` -> `empty()`
+- add some braces
+---
+ Plugins/CDIReader/Reader/CMakeLists.txt | 1 -
+ Plugins/CDIReader/Reader/DataSource.cxx | 56 ----
+ Plugins/CDIReader/Reader/DataSource.h | 39 ---
+ Plugins/CDIReader/Reader/vtkCDIReader.cxx | 336 +++++++++++++++-------
+ Plugins/CDIReader/Reader/vtkCDIReader.h | 21 --
+ 5 files changed, 239 insertions(+), 214 deletions(-)
+ delete mode 100644 Plugins/CDIReader/Reader/DataSource.cxx
+ delete mode 100644 Plugins/CDIReader/Reader/DataSource.h
+
+diff --git a/Plugins/CDIReader/Reader/CMakeLists.txt b/Plugins/CDIReader/Reader/CMakeLists.txt
+index 7a1a985fe0..274104664b 100644
+--- a/Plugins/CDIReader/Reader/CMakeLists.txt
++++ b/Plugins/CDIReader/Reader/CMakeLists.txt
+@@ -4,7 +4,6 @@ set(classes
+ set (sources
+ cdi_tools.cxx
+ projections.cxx
+- DataSource.cxx
+ )
+ set (private_headers
+ cdi_tools.h
+diff --git a/Plugins/CDIReader/Reader/DataSource.cxx b/Plugins/CDIReader/Reader/DataSource.cxx
+deleted file mode 100644
+index 4f5075bb58..0000000000
+--- a/Plugins/CDIReader/Reader/DataSource.cxx
++++ /dev/null
+@@ -1,56 +0,0 @@
+-//#include "cdi_tools.h"
+-#include "DataSource.h"
+-#include "cdi.h"
+-
+-namespace DataSource
+-{
+-
+-CDIObject::CDIObject(std::string newURI)
+-{
+- this->openURI(newURI);
+-}
+-
+-int CDIObject::openURI(std::string newURI)
+-{
+- this->setVoid();
+- this->URI = newURI;
+-
+- // check if we got either *.Grib or *.nc data
+- std::string check = this->URI.substr((URI.size() - 4), this->URI.size());
+- if (check == "grib" || check == ".grb")
+- {
+- this->type = GRIB;
+- }
+- else
+- {
+- this->type = NC;
+- }
+-
+- this->StreamID = streamOpenRead(this->URI.c_str());
+- if (this->StreamID < 0)
+- {
+- this->setVoid();
+- return 0;
+- }
+-
+- this->VListID = streamInqVlist(this->StreamID);
+- return 1;
+-}
+-
+-void CDIObject::setVoid()
+-{
+- if (this->StreamID > -1)
+- streamClose(this->StreamID);
+-
+- StreamID = -1;
+- VListID = -1;
+- type = VOID;
+-}
+-
+-CDIObject::~CDIObject()
+-{
+- URI = "";
+- this->setVoid();
+-}
+-
+-};
+diff --git a/Plugins/CDIReader/Reader/DataSource.h b/Plugins/CDIReader/Reader/DataSource.h
+deleted file mode 100644
+index f3749f2f21..0000000000
+--- a/Plugins/CDIReader/Reader/DataSource.h
++++ /dev/null
+@@ -1,39 +0,0 @@
+-#ifndef CDI_DATA_SOURCE
+-#define CDI_DATA_SOURCE
+-
+-#include <string>
+-
+-namespace DataSource
+-{
+-class CDIObject
+-{
+- enum stype
+- {
+- VOID,
+- GRIB,
+- NC
+- };
+- std::string URI;
+- int StreamID;
+- int VListID;
+- stype type;
+-
+-public:
+- void setVoid();
+- CDIObject(std::string URI);
+- CDIObject()
+- {
+- this->StreamID = -1;
+- this->setVoid();
+- }
+- ~CDIObject();
+- int openURI(std::string URI);
+- std::string getURI() const { return URI; }
+- int getStreamID() const { return StreamID; }
+- int getVListID() const { return VListID; }
+- stype getType() const { return type; }
+- bool isVoid() const { return this->type == VOID; }
+-};
+-
+-};
+-#endif // CDI_DATA_SOURCE
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.cxx b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+index 28bd568721..c44e81f6bb 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.cxx
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+@@ -57,13 +57,79 @@ SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+ #include "vtksys/FStream.hxx"
+ #include "vtksys/SystemTools.hxx"
+
+-#include "DataSource.h"
+ #include "cdi_tools.h"
+
+ #include <set>
+ #include <sstream>
+
+-constexpr static int MAX_VARS = 100;
++namespace
++{
++class CDIObject
++{
++ enum stype
++ {
++ VOID,
++ GRIB,
++ NC
++ };
++ std::string URI;
++ int StreamID;
++ int VListID;
++ stype Type;
++
++public:
++ CDIObject(std::string URI) { this->openURI(URI); }
++ CDIObject()
++ {
++ this->StreamID = -1;
++ this->setVoid();
++ }
++ ~CDIObject() { this->setVoid(); }
++ int openURI(std::string URI)
++ {
++ this->setVoid();
++ this->URI = URI;
++
++ // check if we got either *.Grib or *.nc data
++ std::string check = this->URI.substr((URI.size() - 4), this->URI.size());
++ if (check == "grib" || check == ".grb")
++ {
++ this->Type = GRIB;
++ }
++ else
++ {
++ this->Type = NC;
++ }
++
++ this->StreamID = streamOpenRead(this->URI.c_str());
++ if (this->StreamID < 0)
++ {
++ this->setVoid();
++ return 0;
++ }
++
++ this->VListID = streamInqVlist(this->StreamID);
++ return 1;
++ }
++
++ std::string getURI() const { return this->URI; }
++ int getStreamID() const { return this->StreamID; }
++ int getVListID() const { return this->VListID; }
++ stype getType() const { return this->Type; }
++ void setVoid()
++ {
++ if (this->StreamID > -1)
++ {
++ streamClose(this->StreamID);
++ }
++
++ this->StreamID = -1;
++ this->VListID = -1;
++ this->Type = VOID;
++ }
++
++ bool isVoid() const { return this->Type == VOID; }
++};
+
+ struct Point
+ {
+@@ -77,6 +143,26 @@ struct PointWithIndex
+ int Idx;
+ };
+
++constexpr static int MAX_VARS = 100;
++
++struct Dimset
++{
++ size_t DimsetID;
++ int GridID;
++ int ZAxisID;
++ size_t GridSize;
++ int NLevel;
++ std::string label;
++};
++
++struct Grid
++{
++ int GridID;
++ size_t Size;
++ int PointsPerCell;
++};
++}
++
+ //----------------------------------------------------------------------------
+ // Internal class to avoid name pollution
+ //----------------------------------------------------------------------------
+@@ -106,6 +192,10 @@ public:
+ vtkSmartPointer<vtkIdTypeArray> PointsToSendToProcesses;
+ vtkSmartPointer<vtkIdTypeArray> PointsToSendToProcessesLengths;
+ vtkSmartPointer<vtkIdTypeArray> PointsToSendToProcessesOffsets;
++
++ std::vector<Dimset> DimensionSets;
++ std::vector<Grid> Grids;
++ CDIObject DataFile, GridFile, VGridFile;
+ };
+
+ namespace
+@@ -299,7 +389,7 @@ int vtkCDIReader::RequestInformation(
+
+ vtkDebugMacro("In vtkCDIReader::RequestInformation setting VerticalLevelRange");
+ this->VerticalLevelRange[0] = 0;
+- if (VerticalLevelRange[1] != this->MaximumNVertLevels - 1)
++ if (this->VerticalLevelRange[1] != this->MaximumNVertLevels - 1)
+ {
+ this->VerticalLevelRange[1] = this->MaximumNVertLevels - 1;
+ this->Modified();
+@@ -330,9 +420,9 @@ vtkSmartPointer<vtkDoubleArray> vtkCDIReader::ReadTimeAxis()
+ if ((this->FileSeriesNumber == 0) && (!this->TimeSet))
+ {
+
+- int taxisID = vlistInqTaxis(this->DataFile.getVListID());
++ int taxisID = vlistInqTaxis(this->Internals->DataFile.getVListID());
+ int calendar = taxisInqCalendar(taxisID);
+- streamInqTimestep(this->DataFile.getStreamID(), 0);
++ streamInqTimestep(this->Internals->DataFile.getStreamID(), 0);
+ int vdate = taxisInqVdate(taxisID);
+ int vtime = taxisInqVtime(taxisID);
+
+@@ -345,7 +435,9 @@ vtkSmartPointer<vtkDoubleArray> vtkCDIReader::ReadTimeAxis()
+ if (!this->TimeSeriesTimeStepsAllSet)
+ {
+ if (this->TimeSeriesTimeSteps.size() < this->FileSeriesNumber + 1)
++ {
+ this->TimeSeriesTimeSteps.resize(this->FileSeriesNumber + 1);
++ }
+ this->TimeSeriesTimeSteps[this->FileSeriesNumber] = this->NumberOfTimeSteps;
+ }
+
+@@ -367,9 +459,9 @@ vtkSmartPointer<vtkDoubleArray> vtkCDIReader::ReadTimeAxis()
+ int end = start + this->NumberOfTimeSteps;
+ for (int step = start; step < end; step++)
+ {
+- int taxisID = vlistInqTaxis(this->DataFile.getVListID());
++ int taxisID = vlistInqTaxis(this->Internals->DataFile.getVListID());
+ int calendar = taxisInqCalendar(taxisID);
+- streamInqTimestep(this->DataFile.getStreamID(), counter);
++ streamInqTimestep(this->Internals->DataFile.getStreamID(), counter);
+ int vdate = taxisInqVdate(taxisID);
+ int vtime = taxisInqVtime(taxisID);
+ double timevalue = date_to_julday(calendar, vdate);
+@@ -383,8 +475,10 @@ vtkSmartPointer<vtkDoubleArray> vtkCDIReader::ReadTimeAxis()
+ timeValues->InsertNextTuple1(timevalue);
+ if (!this->TimeSeriesTimeStepsAllSet)
+ {
+- if (TimeSteps.size() < step + 1)
+- TimeSteps.resize(step + 1);
++ if (this->TimeSteps.size() < step + 1)
++ {
++ this->TimeSteps.resize(step + 1);
++ }
+ this->TimeSteps[step] = timevalue;
+ }
+ }
+@@ -438,7 +532,9 @@ int vtkCDIReader::GetTimeIndex(double dataTimeStep)
+ for (int step = start; step < end; step++)
+ {
+ if (this->TimeSteps[step] == dataTimeStep)
++ {
+ return (step - start);
++ }
+ }
+ return 0;
+ }
+@@ -787,33 +883,41 @@ void vtkCDIReader::GuessGridFile()
+ {
+ std::string fallback = vtksys::SystemTools::GetParentDirectory(this->FileName);
+ if (fallback.empty())
++ {
+ fallback = ".";
++ }
+ fallback += "/grid.nc";
+
+ std::string guess;
+ if (!this->Grib)
++ {
+ guess = cdi_tools::GuessGridFileFromUri(this->FileName);
++ }
+
+ if (!guess.empty())
+ {
+ if (vtksys::SystemTools::TestFileAccess(guess, vtksys::TEST_FILE_READ))
+ {
+- this->GridFile.openURI(guess);
+- if (this->GridFile.isVoid())
++ this->Internals->GridFile.openURI(guess);
++ if (this->Internals->GridFile.isVoid())
+ {
+ vtkWarningMacro("Cannot handle grid file "
+ << guess << " indicated by grid_file_uri attribute in " << this->FileName
+ << " Trying fallback guess " << fallback);
+ }
+ else
++ {
+ return;
++ }
+ }
+ else
++ {
+ vtkWarningMacro("Cannot open grid file "
+ << guess << " indicated by grid_file_uri attribute in " << this->FileName
+ << " Trying fallback guess " << fallback);
++ }
+ }
+- this->GridFile.openURI(fallback);
++ this->Internals->GridFile.openURI(fallback);
+ }
+
+ //----------------------------------------------------------------------------
+@@ -827,18 +931,22 @@ int vtkCDIReader::GetDims()
+ return 0;
+ }
+
+- DataFile.openURI(FileName);
+- if (DataFile.isVoid())
++ this->Internals->DataFile.openURI(this->FileName);
++ if (this->Internals->DataFile.isVoid())
+ {
+- vtkErrorMacro("GetDims: Could not open " << DataFile.getURI());
++ vtkErrorMacro("GetDims: Could not open " << this->Internals->DataFile.getURI());
+ return 0;
+ }
+
+- if (GridFile.isVoid())
+- GridFile.openURI(FileName);
+- if (GridFile.isVoid())
++ if (this->Internals->GridFile.isVoid())
++ {
++ this->Internals->GridFile.openURI(this->FileName);
++ }
++
++ if (this->Internals->GridFile.isVoid())
+ {
+- vtkErrorMacro("GetDims: Could not open horizontal grid file.\nTried " << GridFile.getURI());
++ vtkErrorMacro("GetDims: Could not open horizontal grid file.\nTried "
++ << this->Internals->GridFile.getURI());
+ return 0;
+ }
+
+@@ -847,17 +955,18 @@ int vtkCDIReader::GetDims()
+ this->GuessGridFile();
+ if (!this->ReadHorizontalGridData())
+ {
+- vtkErrorMacro("Could not get horizontal Grid. \nTried " << GridFile.getURI());
++ vtkErrorMacro(
++ "Could not get horizontal Grid. \nTried " << this->Internals->GridFile.getURI());
+ return 0;
+ }
+ }
+
+- VGridFile.openURI(FileName);
+- int found = ReadVerticalGridData();
++ this->Internals->VGridFile.openURI(this->FileName);
++ int found = this->ReadVerticalGridData();
+ if (!found)
+ {
+- VGridFile.openURI(GridFile.getURI());
+- found = ReadVerticalGridData();
++ this->Internals->VGridFile.openURI(this->Internals->GridFile.getURI());
++ found = this->ReadVerticalGridData();
+ }
+
+ if (!found)
+@@ -872,21 +981,25 @@ int vtkCDIReader::GetDims()
+ {
+ if (this->DimensionSelection >= 0)
+ {
+- if (DimensionSelection >= DimensionSets.size())
++ if (this->DimensionSelection >= this->Internals->DimensionSets.size())
+ {
+ vtkErrorMacro("Trying to select inexistent dimensionset "
+- << DimensionSelection << " " << DimensionSets.size() << " are available.");
++ << this->DimensionSelection << " " << this->Internals->DimensionSets.size()
++ << " are available.");
+ return 0;
+ }
+- for (int i = 0; i < Grids.size(); i++)
+- if (this->DimensionSets.at(this->DimensionSelection).GridSize == Grids.at(i).Size)
++ for (int i = 0; i < this->Internals->Grids.size(); i++)
++ if (this->Internals->DimensionSets.at(this->DimensionSelection).GridSize ==
++ this->Internals->Grids.at(i).Size)
+ {
+- this->DimensionSets.at(this->DimensionSelection).GridID = Grids.at(i).GridID;
++ this->Internals->DimensionSets.at(this->DimensionSelection).GridID =
++ this->Internals->Grids.at(i).GridID;
+ this->GridID = i;
+ }
+- this->ZAxisID = this->DimensionSets.at(this->DimensionSelection).ZAxisID;
+- vtkDebugMacro("NEW ZAxisID" << ZAxisID << " from "
+- << this->DimensionSets.at(this->DimensionSelection).ZAxisID);
++ this->ZAxisID = this->Internals->DimensionSets.at(this->DimensionSelection).ZAxisID;
++ vtkDebugMacro(
++ "NEW ZAxisID" << this->ZAxisID << " from "
++ << this->Internals->DimensionSets.at(this->DimensionSelection).ZAxisID);
+ }
+ }
+ catch (const std::out_of_range& oor)
+@@ -897,15 +1010,17 @@ int vtkCDIReader::GetDims()
+
+ try
+ {
+- if (GridID != -1 && Grids.at(this->GridID).GridID != -1)
++ if (this->GridID != -1 && this->Internals->Grids.at(this->GridID).GridID != -1)
+ {
+- this->NumberOfCells = static_cast<int>(Grids.at(GridID).Size);
++ this->NumberOfCells = static_cast<int>(this->Internals->Grids.at(GridID).Size);
+
+ if (this->NumberOfPoints and this->NumberOfPoints != this->NumberOfCells)
++ {
+ vtkDebugMacro("GetDims: Changing number of points from " << this->NumberOfPoints << " to "
+ << this->NumberOfCells);
++ }
+ this->NumberOfPoints = this->NumberOfCells;
+- this->PointsPerCell = Grids.at(this->GridID).PointsPerCell;
++ this->PointsPerCell = this->Internals->Grids.at(this->GridID).PointsPerCell;
+ vtkDebugMacro("GetDims: Found PointsPerCell to be " << this->PointsPerCell << " for grid "
+ << this->GridID);
+ }
+@@ -913,19 +1028,21 @@ int vtkCDIReader::GetDims()
+ catch (const std::out_of_range& oor)
+ {
+ vtkErrorMacro("Out of Range error in GetDims trying to set NumberOfPoints " << oor.what());
+- vtkErrorMacro("Grids.size " << Grids.size() << "\t GridID " << GridID);
++ vtkErrorMacro("Grids.size " << this->Internals->Grids.size() << "\t GridID " << this->GridID);
+ return 0;
+ }
+
+ int ntsteps = 0;
+ if (this->Grib)
+ {
+- while (streamInqTimestep(this->DataFile.getStreamID(), ntsteps))
++ while (streamInqTimestep(this->Internals->DataFile.getStreamID(), ntsteps))
++ {
+ ntsteps++;
++ }
+ }
+ else
+ {
+- ntsteps = vlistNtsteps(this->DataFile.getVListID());
++ ntsteps = vlistNtsteps(this->Internals->DataFile.getVListID());
+ }
+ this->NumberOfTimeSteps = ntsteps;
+
+@@ -945,8 +1062,13 @@ int vtkCDIReader::GetDims()
+ //---------------------------------------------------------------------------------------------------
+ int vtkCDIReader::ReadHorizontalGridData()
+ {
+- Grids.resize(0);
+- int vlistID_l = this->GridFile.getVListID();
++ this->Internals->Grids.resize(0);
++ int vlistID_l = this->Internals->GridFile.getVListID();
++ if (vlistID_l == CDI_UNDEFID)
++ {
++ vtkErrorMacro("No VList found in Grid file.");
++ return 0;
++ }
+ int ngrids = vlistNgrids(vlistID_l);
+ for (int i = 0; i < ngrids; ++i)
+ {
+@@ -955,13 +1077,17 @@ int vtkCDIReader::ReadHorizontalGridData()
+
+ if (nv >= 3) // ((nv == 3 || nv == 4)) // && gridInqType(gridID_l) == GRID_UNSTRUCTURED)
+ {
+- Grid grid{ .GridID = gridID_l, .Size = gridInqSize(gridID_l), .PointsPerCell = nv };
+- Grids.push_back(grid);
++ Grid grid{
++ .GridID = gridID_l, .Size = static_cast<size_t>(gridInqSize(gridID_l)), .PointsPerCell = nv
++ };
++ this->Internals->Grids.push_back(grid);
+ }
+ }
+
+- if (Grids.size() == 0)
++ if (this->Internals->Grids.empty())
++ {
+ return 0;
++ }
+ return 1;
+ }
+
+@@ -971,11 +1097,11 @@ int vtkCDIReader::ReadHorizontalGridData()
+ int vtkCDIReader::ReadVerticalGridData()
+ {
+ this->ZAxisID = -1;
+- int nzaxis = vlistNzaxis(this->VGridFile.getVListID());
++ int nzaxis = vlistNzaxis(this->Internals->VGridFile.getVListID());
+ int found = 0;
+ for (int i = 0; i < nzaxis; ++i)
+ {
+- int zaxisID_l = vlistZaxis(this->VGridFile.getVListID(), i);
++ int zaxisID_l = vlistZaxis(this->Internals->VGridFile.getVListID(), i);
+ if (zaxisInqSize(zaxisID_l) == 1 || zaxisInqType(zaxisID_l) == ZAXIS_SURFACE)
+ {
+ this->SurfIDs.insert(zaxisID_l);
+@@ -986,7 +1112,7 @@ int vtkCDIReader::ReadVerticalGridData()
+
+ for (int i = 0; i < nzaxis; ++i)
+ {
+- int zaxisID_l = vlistZaxis(this->VGridFile.getVListID(), i);
++ int zaxisID_l = vlistZaxis(this->Internals->VGridFile.getVListID(), i);
+ if (zaxisInqSize(zaxisID_l) > 1)
+ {
+ found = 1;
+@@ -1005,24 +1131,25 @@ int vtkCDIReader::GetVars()
+ int cellVarIndex = -1;
+ int pointVarIndex = -1;
+ int domainVarIndex = -1;
+- int numVars = vlistNvars(this->DataFile.getVListID());
++ int numVars = vlistNvars(this->Internals->DataFile.getVListID());
+
+- vtkDebugMacro("Found " << numVars << " as Variables for VListID " << this->DataFile.getVListID());
++ vtkDebugMacro(
++ "Found " << numVars << " as Variables for VListID " << this->Internals->DataFile.getVListID());
+
+ for (int i = 0; i < numVars; i++)
+ {
+ int varID = i;
+ cdi_tools::CDIVar aVar;
+
+- aVar.StreamID = this->DataFile.getStreamID();
++ aVar.StreamID = this->Internals->DataFile.getStreamID();
+ aVar.VarID = varID;
+- aVar.GridID = vlistInqVarGrid(this->DataFile.getVListID(), varID);
+- aVar.ZAxisID = vlistInqVarZaxis(this->DataFile.getVListID(), varID);
++ aVar.GridID = vlistInqVarGrid(this->Internals->DataFile.getVListID(), varID);
++ aVar.ZAxisID = vlistInqVarZaxis(this->Internals->DataFile.getVListID(), varID);
+ aVar.GridSize = static_cast<int>(gridInqSize(aVar.GridID));
+ aVar.NLevel = zaxisInqSize(aVar.ZAxisID);
+ aVar.Type = 0;
+ aVar.ConstTime = 0;
+- vlistInqVarName(this->DataFile.getVListID(), varID, aVar.Name);
++ vlistInqVarName(this->Internals->DataFile.getVListID(), varID, aVar.Name);
+ vtkDebugMacro("Processing variable " << i << '\t' << aVar.Name);
+
+ // to do multiple grids:
+@@ -1030,11 +1157,11 @@ int vtkCDIReader::GetVars()
+ // - Check if all grids can be reconstructed, or if bnds are all zero
+ // - Reform gui to load either Cell, Point or Edge data
+
+- if (vlistInqVarTsteptype(this->DataFile.getVListID(), varID) == TIME_CONSTANT)
++ if (vlistInqVarTsteptype(this->Internals->DataFile.getVListID(), varID) == TIME_CONSTANT)
+ {
+ aVar.ConstTime = 1;
+ }
+- if (aVar.ZAxisID != this->ZAxisID && SurfIDs.count(aVar.ZAxisID) == 0)
++ if (aVar.ZAxisID != this->ZAxisID && this->SurfIDs.count(aVar.ZAxisID) == 0)
+ // We are handling a different 3D Axis.
+ {
+ vtkDebugMacro("Skipping " << aVar.Name << " as it has the wrong ZAxis " << aVar.ZAxisID);
+@@ -1180,7 +1307,7 @@ int vtkCDIReader::BuildVarArrays()
+
+ if (!this->FileName.empty())
+ {
+- if (!GetVars())
++ if (!this->GetVars())
+ {
+ return 0;
+ }
+@@ -1394,10 +1521,10 @@ int vtkCDIReader::ConstructGridGeometry()
+ vtkDebugMacro("Start reading Vertices");
+ try
+ {
+- gridInqXboundsPart(Grids.at(this->GridID).GridID, (this->BeginCell * this->PointsPerCell), size,
+- cLonVertices.data());
+- gridInqYboundsPart(Grids.at(this->GridID).GridID, (this->BeginCell * this->PointsPerCell), size,
+- cLatVertices.data());
++ gridInqXboundsPart(Internals->Grids.at(this->GridID).GridID,
++ (this->BeginCell * this->PointsPerCell), size, cLonVertices.data());
++ gridInqYboundsPart(Internals->Grids.at(this->GridID).GridID,
++ (this->BeginCell * this->PointsPerCell), size, cLatVertices.data());
+ }
+ catch (const std::out_of_range& oor)
+ {
+@@ -1417,7 +1544,7 @@ int vtkCDIReader::ConstructGridGeometry()
+ {
+ if (this->ProjectionMode != projection::CATALYST)
+ {
+- gridInqXunits(Grids.at(this->GridID).GridID, units);
++ gridInqXunits(this->Internals->Grids.at(this->GridID).GridID, units);
+ if (strncmp(units, "degree", 6) == 0)
+ {
+ for (int i = 0; i < size; i++)
+@@ -1425,7 +1552,7 @@ int vtkCDIReader::ConstructGridGeometry()
+ cLonVertices[i] = vtkMath::RadiansFromDegrees(cLonVertices[i]);
+ }
+ }
+- gridInqYunits(Grids.at(this->GridID).GridID, units);
++ gridInqYunits(this->Internals->Grids.at(this->GridID).GridID, units);
+ if (strncmp(units, "degree", 6) == 0)
+ {
+ for (int i = 0; i < size; i++)
+@@ -1452,8 +1579,10 @@ int vtkCDIReader::ConstructGridGeometry()
+ this->NumberLocalCells = new_cells[0] / this->PointsPerCell;
+ this->NumberLocalPoints = new_cells[1];
+ if (this->NumberOfPoints and this->NumberOfPoints != new_cells[1])
++ {
+ vtkDebugMacro("ConstructGridGeometry: Changing number of points from "
+ << this->NumberOfPoints << " to " << new_cells[1]);
++ }
+
+ this->NumberOfPoints = new_cells[1];
+
+@@ -1470,8 +1599,8 @@ int vtkCDIReader::ConstructGridGeometry()
+ // now get the individual coordinates out of the clon/clat vertices
+ for (int i = 0; i < this->NumberLocalPoints; i++)
+ {
+- projection::longLatToCartesian(
+- cLonVertices[i], cLatVertices[i], &PointX[i], &PointY[i], &PointZ[i], this->ProjectionMode);
++ projection::longLatToCartesian(cLonVertices[i], cLatVertices[i], &this->PointX[i],
++ &this->PointY[i], &this->PointZ[i], this->ProjectionMode);
+ }
+
+ // mirror the mesh if needed
+@@ -1501,10 +1630,12 @@ int vtkCDIReader::ConstructGridGeometry()
+ std::vector<double> clat_vert2(size2);
+ try
+ {
+- gridInqXboundsPart(Grids.at(this->GridID).GridID, 0, size2, clon_vert2.data());
+- gridInqYboundsPart(Grids.at(this->GridID).GridID, 0, size2, clat_vert2.data());
++ gridInqXboundsPart(
++ this->Internals->Grids.at(this->GridID).GridID, 0, size2, clon_vert2.data());
++ gridInqYboundsPart(
++ this->Internals->Grids.at(this->GridID).GridID, 0, size2, clat_vert2.data());
+
+- gridInqXunits(Grids.at(this->GridID).GridID, units);
++ gridInqXunits(this->Internals->Grids.at(this->GridID).GridID, units);
+ if (strncmp(units, "degree", 6) == 0)
+ {
+ for (int i = 0; i < size2; i++)
+@@ -1513,7 +1644,7 @@ int vtkCDIReader::ConstructGridGeometry()
+ }
+ }
+
+- gridInqYunits(Grids.at(this->GridID).GridID, units);
++ gridInqYunits(this->Internals->Grids.at(this->GridID).GridID, units);
+ if (strncmp(units, "degree", 6) == 0)
+ {
+ for (int i = 0; i < size2; i++)
+@@ -1556,8 +1687,6 @@ int vtkCDIReader::ConstructGridGeometry()
+ this->CurrentExtraPoint = this->NumberLocalPoints;
+ this->CurrentExtraCell = this->NumberLocalCells;
+
+- cLonVertices.clear();
+- cLatVertices.clear();
+ vtkDebugMacro("Grid Reconstruction complete...");
+ return 1;
+ }
+@@ -1587,7 +1716,7 @@ int vtkCDIReader::AllocSphereGeometry()
+ {
+ vtkDebugMacro("In AllocSphereGeometry...");
+
+- if (!GridReconstructed || this->ReconstructNew)
++ if (!this->GridReconstructed || this->ReconstructNew)
+ {
+ this->ConstructGridGeometry();
+ }
+@@ -1624,7 +1753,7 @@ int vtkCDIReader::AllocLatLonGeometry()
+ return 0;
+ }
+
+- if (!GridReconstructed || this->ReconstructNew)
++ if (!this->GridReconstructed || this->ReconstructNew)
+ {
+ this->ConstructGridGeometry();
+ }
+@@ -1661,16 +1790,16 @@ int vtkCDIReader::LoadClonClatVars()
+ std::vector<double> cLon_l(this->NumberLocalCells);
+ std::vector<double> cLat_l(this->NumberLocalCells);
+
+- gridInqXvalsPart(
+- Grids.at(this->GridID).GridID, this->BeginCell, this->NumberLocalCells, cLon_l.data());
+- gridInqYvalsPart(
+- Grids.at(this->GridID).GridID, this->BeginCell, this->NumberLocalCells, cLat_l.data());
++ gridInqXvalsPart(this->Internals->Grids.at(this->GridID).GridID, this->BeginCell,
++ this->NumberLocalCells, cLon_l.data());
++ gridInqYvalsPart(this->Internals->Grids.at(this->GridID).GridID, this->BeginCell,
++ this->NumberLocalCells, cLat_l.data());
+
+ char units[CDI_MAX_NAME];
+
+ try
+ {
+- gridInqXunits(Grids.at(this->GridID).GridID, units);
++ gridInqXunits(this->Internals->Grids.at(this->GridID).GridID, units);
+ if (strncmp(units, "degree", 6) == 0)
+ {
+ for (int i = 0; i < this->NumberLocalCells; i++)
+@@ -1678,7 +1807,7 @@ int vtkCDIReader::LoadClonClatVars()
+ cLon_l[i] = vtkMath::RadiansFromDegrees(cLon_l[i]);
+ }
+ }
+- gridInqYunits(Grids.at(this->GridID).GridID, units);
++ gridInqYunits(this->Internals->Grids.at(this->GridID).GridID, units);
+ if (strncmp(units, "degree", 6) == 0)
+ {
+ for (int i = 0; i < this->NumberLocalCells; i++)
+@@ -1821,7 +1950,8 @@ int vtkCDIReader::CheckForMaskData()
+ {
+ const double maskVal = this->UseCustomMaskValue
+ ? this->CustomMaskValue
+- : vlistInqVarMissval(this->DataFile.getVListID(), this->Internals->CellVars[mask_pos].VarID);
++ : vlistInqVarMissval(
++ this->Internals->DataFile.getVListID(), this->Internals->CellVars[mask_pos].VarID);
+
+ cdi_tools::CDIVar* cdiVar = &(this->Internals->CellVars[mask_pos]);
+ if (this->ShowMultilayerView)
+@@ -1889,7 +2019,7 @@ int vtkCDIReader::AddMaskHalo()
+ {
+ int l = j * this->MaximumNVertLevels;
+ int k = this->MaximumNVertLevels * this->CellMap[j - this->NumberLocalCells];
+- this->CellMask[l + levelNum] = (CellMask[k + levelNum]);
++ this->CellMask[l + levelNum] = (this->CellMask[k + levelNum]);
+ }
+ }
+ }
+@@ -1921,7 +2051,7 @@ bool vtkCDIReader::BuildDomainCellVars()
+ CHECK_NEW(this->DomainCellVar);
+ double val = 0;
+ int mask_pos = 0;
+- int numVars = vlistNvars(this->DataFile.getVListID());
++ int numVars = vlistNvars(this->Internals->DataFile.getVListID());
+
+ for (int i = 0; i < numVars; i++)
+ {
+@@ -2156,7 +2286,7 @@ int vtkCDIReader::Wrap(int axis)
+ }
+ }
+
+- if (!ShowMultilayerView)
++ if (!this->ShowMultilayerView)
+ {
+ this->MaximumCells = static_cast<int>(this->CurrentExtraCell);
+ this->MaximumPoints = static_cast<int>(this->CurrentExtraPoint);
+@@ -2284,8 +2414,10 @@ void vtkCDIReader::OutputPoints(bool init)
+ {
+ retval = projection::cartesianToSpherical(x, y, z, &rho, &phi, &theta);
+ if (!retval)
++ {
+ retval = projection::sphericalToCartesian(
+ rho + this->Layer0Offset * adjustedLayerThickness, phi, theta, &x, &y, &z);
++ }
+ }
+ }
+
+@@ -2480,9 +2612,13 @@ void vtkCDIReader::OutputCells(bool init)
+ polygon[k + this->PointsPerCell] = val;
+ }
+ if (cellType == VTK_POLYHEDRON)
++ {
+ this->InsertPolyhedron(polygon);
++ }
+ else
++ {
+ output->InsertNextCell(cellType, pointsPerPolygon, polygon.data());
++ }
+ }
+ }
+ }
+@@ -2568,7 +2704,9 @@ void vtkCDIReader::InsertPolyhedron(std::vector<vtkIdType> polygon)
+ int vtkCDIReader::LoadPointVarData(int variableIndex, double dTimeStep)
+ {
+ if (!(this->PointsPerCell == 3))
++ {
+ return 0;
++ }
+
+ this->PointDataSelected = variableIndex;
+
+@@ -2778,7 +2916,7 @@ int vtkCDIReader::LoadCellVarDataTemplate(
+ //------------------------------------------------------------------------------
+ int vtkCDIReader::ReplaceFillWithNan(const int varID, vtkDataArray* dataArray)
+ {
+- double miss = vlistInqVarMissval(this->DataFile.getVListID(), varID);
++ double miss = vlistInqVarMissval(this->Internals->DataFile.getVListID(), varID);
+
+ // NaN only available with float and double.
+ if (dataArray->GetDataType() == VTK_FLOAT)
+@@ -2914,7 +3052,7 @@ int vtkCDIReader::LoadPointVarDataTemplate(
+ }
+
+ // layer below, which is repeated ...
+- dataBlock[i++] = dataTmp[j + ((MaximumNVertLevels - 1) * this->NumberLocalPoints)];
++ dataBlock[i++] = dataTmp[j + ((this->MaximumNVertLevels - 1) * this->NumberLocalPoints)];
+ }
+ }
+ }
+@@ -3091,11 +3229,11 @@ int vtkCDIReader::LoadDomainVarData(int variableIndex)
+ //-----------------------------------------------------------------------------
+ int vtkCDIReader::FillGridDimensions()
+ {
+- this->DimensionSets.resize(0);
++ this->Internals->DimensionSets.resize(0);
+
+- int ngrids = vlistNgrids(this->DataFile.getVListID());
+- int nzaxis = vlistNzaxis(this->DataFile.getVListID());
+- int nvars = vlistNvars(this->DataFile.getVListID());
++ int ngrids = vlistNgrids(this->Internals->DataFile.getVListID());
++ int nzaxis = vlistNzaxis(this->Internals->DataFile.getVListID());
++ int nvars = vlistNvars(this->Internals->DataFile.getVListID());
+ char nameGridX[CDI_MAX_NAME];
+ char nameGridY[CDI_MAX_NAME];
+ char nameLev[CDI_MAX_NAME];
+@@ -3104,8 +3242,8 @@ int vtkCDIReader::FillGridDimensions()
+
+ for (int k = 0; k < nvars; k++)
+ {
+- int i = vlistInqVarGrid(this->DataFile.getVListID(), k);
+- int j = vlistInqVarZaxis(this->DataFile.getVListID(), k);
++ int i = vlistInqVarGrid(this->Internals->DataFile.getVListID(), k);
++ int j = vlistInqVarZaxis(this->Internals->DataFile.getVListID(), k);
+ hits.insert(std::to_string(i) + "x" + std::to_string(j));
+ // IDs are not 0 to n-1 but can be 30-ish for a file with 3 grids.
+ // they map to the gridID_l and zaxisID_l values below.
+@@ -3117,14 +3255,14 @@ int vtkCDIReader::FillGridDimensions()
+ for (int j = 0; j < nzaxis; ++j)
+ {
+ std::string dimEncoding("(");
+- int gridID_l = vlistGrid(this->DataFile.getVListID(), i);
++ int gridID_l = vlistGrid(this->Internals->DataFile.getVListID(), i);
+ gridInqXname(gridID_l, nameGridX);
+ gridInqYname(gridID_l, nameGridY);
+ dimEncoding += nameGridX;
+ dimEncoding += ", ";
+ dimEncoding += nameGridY;
+ dimEncoding += ", ";
+- int zaxisID_l = vlistZaxis(this->DataFile.getVListID(), j);
++ int zaxisID_l = vlistZaxis(this->Internals->DataFile.getVListID(), j);
+ zaxisInqName(zaxisID_l, nameLev);
+ dimEncoding += nameLev;
+ dimEncoding += ")";
+@@ -3140,13 +3278,13 @@ int vtkCDIReader::FillGridDimensions()
+ << i << '\t' << j << "\t" << gridID_l << '\t' << zaxisID_l << "\t" << dimEncoding
+ << " - has hits.\n");
+
+- dimset ds{ .DimsetID = counter,
++ Dimset ds{ .DimsetID = counter,
+ .GridID = -1,
+ .ZAxisID = zaxisID_l,
+- .GridSize = gridInqSize(gridID_l),
++ .GridSize = static_cast<size_t>(gridInqSize(gridID_l)),
+ .NLevel = zaxisInqSize(zaxisID_l),
+ .label = dimEncoding };
+- DimensionSets.push_back(ds);
++ this->Internals->DimensionSets.push_back(ds);
+ counter++;
+ }
+ }
+@@ -3154,8 +3292,8 @@ int vtkCDIReader::FillGridDimensions()
+ this->VariableDimensions->SetNumberOfValues(counter);
+ for (int i = 0; i < counter; i++)
+ {
+- this->AllDimensions->InsertNextValue(DimensionSets[i].label);
+- this->VariableDimensions->SetValue(i, DimensionSets[i].label.c_str());
++ this->AllDimensions->InsertNextValue(this->Internals->DimensionSets[i].label);
++ this->VariableDimensions->SetValue(i, this->Internals->DimensionSets[i].label.c_str());
+ }
+
+ return 1;
+@@ -3281,7 +3419,9 @@ void vtkCDIReader::SetMaskingVariable(const char* name)
+ void vtkCDIReader::SetUseCustomMaskValue(bool val)
+ {
+ if (val == this->UseCustomMaskValue)
++ {
+ return;
++ }
+
+ this->UseCustomMaskValue = val;
+
+@@ -3301,7 +3441,9 @@ void vtkCDIReader::SetUseCustomMaskValue(bool val)
+ void vtkCDIReader::SetCustomMaskValue(double val)
+ {
+ if (val == this->CustomMaskValue)
++ {
+ return;
++ }
+
+ this->CustomMaskValue = val;
+
+@@ -3346,7 +3488,7 @@ void vtkCDIReader::SetFileName(const char* val)
+ {
+ if (this->FileName.empty() || val == nullptr || strcmp(this->FileName.c_str(), val) != 0)
+ {
+- this->DataFile.setVoid();
++ this->Internals->DataFile.setVoid();
+ this->Modified();
+ if (val == nullptr)
+ {
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.h b/Plugins/CDIReader/Reader/vtkCDIReader.h
+index 44f9073a97..fa90313d4d 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.h
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.h
+@@ -46,7 +46,6 @@ SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+
+ #include "projections.h" // for projection enum
+
+-#include "DataSource.h"
+ #include <memory> // for unique_ptr
+ #include <unordered_set>
+ #include <vector> // for std::vector
+@@ -56,23 +55,6 @@ class vtkDoubleArray;
+ class vtkFieldData;
+ class vtkMultiProcessController;
+
+-struct dimset
+-{
+- size_t DimsetID;
+- int GridID;
+- int ZAxisID;
+- size_t GridSize;
+- int NLevel;
+- std::string label;
+-};
+-
+-struct Grid
+-{
+- int GridID;
+- size_t Size;
+- int PointsPerCell;
+-};
+-
+ /**
+ *
+ * @class vtkCDIReader
+@@ -345,8 +327,6 @@ protected:
+ double Layer0OffsetRange[2];
+
+ int DimensionSelection;
+- std::vector<dimset> DimensionSets;
+- std::vector<Grid> Grids;
+ bool InvertZAxis;
+ bool AddCoordinateVars;
+ projection::Projection ProjectionMode;
+@@ -391,7 +371,6 @@ protected:
+ int NumberOfDomainVars;
+ bool GridReconstructed;
+
+- DataSource::CDIObject DataFile, GridFile, VGridFile;
+ int GridID;
+ int ZAxisID;
+ std::unordered_set<int> SurfIDs;
+--
+GitLab
+
+
+From 751b0f14bdfbde85a79e6c06dda1aeff6e36e495 Mon Sep 17 00:00:00 2001
+From: Nils-Arne Dreier <dreier@dkrz.de>
+Date: Mon, 21 Nov 2022 16:10:42 +0100
+Subject: [PATCH 3/5] store DimensionSelection as string instead of an index
+
+When the reader object is restored from a state file the
+`VariableDimensions` is not initialized when `SetDimensions` is
+called. We therefore need to store the actuall string representation
+of the dimension.
+---
+ Plugins/CDIReader/Reader/vtkCDIReader.cxx | 63 ++++++++---------------
+ Plugins/CDIReader/Reader/vtkCDIReader.h | 2 +-
+ 2 files changed, 23 insertions(+), 42 deletions(-)
+
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.cxx b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+index c44e81f6bb..763b6e6602 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.cxx
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+@@ -193,7 +193,7 @@ public:
+ vtkSmartPointer<vtkIdTypeArray> PointsToSendToProcessesLengths;
+ vtkSmartPointer<vtkIdTypeArray> PointsToSendToProcessesOffsets;
+
+- std::vector<Dimset> DimensionSets;
++ std::map<std::string, Dimset> DimensionSets;
+ std::vector<Grid> Grids;
+ CDIObject DataFile, GridFile, VGridFile;
+ };
+@@ -828,7 +828,7 @@ void vtkCDIReader::SetDefaults()
+ this->HaveDomainVariable = false;
+ this->HaveDomainData = false;
+
+- this->DimensionSelection = 0;
++ this->DimensionSelection = "";
+ this->InvertZAxis = false;
+ this->DoublePrecision = false;
+ this->ShowClonClat = false;
+@@ -977,36 +977,20 @@ int vtkCDIReader::GetDims()
+
+ this->FillGridDimensions();
+
+- try
++ if (this->DimensionSelection.empty())
+ {
+- if (this->DimensionSelection >= 0)
++ // select first by default
++ this->DimensionSelection = this->Internals->DimensionSets.begin()->first;
++ }
++ for (int i = 0; i < this->Internals->Grids.size(); i++)
++ if (this->Internals->DimensionSets.at(this->DimensionSelection).GridSize ==
++ this->Internals->Grids.at(i).Size)
+ {
+- if (this->DimensionSelection >= this->Internals->DimensionSets.size())
+- {
+- vtkErrorMacro("Trying to select inexistent dimensionset "
+- << this->DimensionSelection << " " << this->Internals->DimensionSets.size()
+- << " are available.");
+- return 0;
+- }
+- for (int i = 0; i < this->Internals->Grids.size(); i++)
+- if (this->Internals->DimensionSets.at(this->DimensionSelection).GridSize ==
+- this->Internals->Grids.at(i).Size)
+- {
+- this->Internals->DimensionSets.at(this->DimensionSelection).GridID =
+- this->Internals->Grids.at(i).GridID;
+- this->GridID = i;
+- }
+- this->ZAxisID = this->Internals->DimensionSets.at(this->DimensionSelection).ZAxisID;
+- vtkDebugMacro(
+- "NEW ZAxisID" << this->ZAxisID << " from "
+- << this->Internals->DimensionSets.at(this->DimensionSelection).ZAxisID);
++ this->Internals->DimensionSets.at(this->DimensionSelection).GridID =
++ this->Internals->Grids.at(i).GridID;
++ this->GridID = i;
+ }
+- }
+- catch (const std::out_of_range& oor)
+- {
+- vtkErrorMacro("Out of Range error in GetDims trying to set Grid and ZAxisID: " << oor.what());
+- return 0;
+- }
++ this->ZAxisID = this->Internals->DimensionSets.at(this->DimensionSelection).ZAxisID;
+
+ try
+ {
+@@ -3229,7 +3213,7 @@ int vtkCDIReader::LoadDomainVarData(int variableIndex)
+ //-----------------------------------------------------------------------------
+ int vtkCDIReader::FillGridDimensions()
+ {
+- this->Internals->DimensionSets.resize(0);
++ this->Internals->DimensionSets.clear();
+
+ int ngrids = vlistNgrids(this->Internals->DataFile.getVListID());
+ int nzaxis = vlistNzaxis(this->Internals->DataFile.getVListID());
+@@ -3284,16 +3268,19 @@ int vtkCDIReader::FillGridDimensions()
+ .GridSize = static_cast<size_t>(gridInqSize(gridID_l)),
+ .NLevel = zaxisInqSize(zaxisID_l),
+ .label = dimEncoding };
+- this->Internals->DimensionSets.push_back(ds);
++ this->Internals->DimensionSets[dimEncoding] = ds;
+ counter++;
+ }
+ }
+ this->AllDimensions->SetNumberOfValues(0);
+ this->VariableDimensions->SetNumberOfValues(counter);
+- for (int i = 0; i < counter; i++)
++
++ int i = 0;
++ for (const auto& label_diset_tuple : this->Internals->DimensionSets)
+ {
+- this->AllDimensions->InsertNextValue(this->Internals->DimensionSets[i].label);
+- this->VariableDimensions->SetValue(i, this->Internals->DimensionSets[i].label.c_str());
++ this->AllDimensions->InsertNextValue(label_diset_tuple.first);
++ this->VariableDimensions->SetValue(i, label_diset_tuple.first.c_str());
++ ++i;
+ }
+
+ return 1;
+@@ -3305,13 +3292,7 @@ int vtkCDIReader::FillGridDimensions()
+ void vtkCDIReader::SetDimensions(const char* dimensions)
+ {
+ vtkDebugMacro("In SetDimensions");
+- for (vtkIdType i = 0; i < this->VariableDimensions->GetNumberOfValues(); i++)
+- {
+- if (this->VariableDimensions->GetValue(i) == dimensions)
+- {
+- this->DimensionSelection = i;
+- }
+- }
++ this->DimensionSelection = dimensions;
+
+ this->PointDataArraySelection->RemoveAllArrays();
+ this->CellDataArraySelection->RemoveAllArrays();
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.h b/Plugins/CDIReader/Reader/vtkCDIReader.h
+index fa90313d4d..3bbee37929 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.h
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.h
+@@ -326,7 +326,7 @@ protected:
+ double Layer0Offset;
+ double Layer0OffsetRange[2];
+
+- int DimensionSelection;
++ std::string DimensionSelection;
+ bool InvertZAxis;
+ bool AddCoordinateVars;
+ projection::Projection ProjectionMode;
+--
+GitLab
+
+
+From 622ba89edcd743d5603dbda519fb3c4bafe2c1cd Mon Sep 17 00:00:00 2001
+From: Nils-Arne Dreier <dreier@dkrz.de>
+Date: Tue, 22 Nov 2022 08:08:36 +0100
+Subject: [PATCH 4/5] clean up variable initialization
+
+use `vtkNew` instead of `vtkSmartPointer`
+
+remove initialization of std containers
+
+add CDIDimensionsTest
+
+use SetValue instead of InsertNextValue
+
+minor formating fixes
+---
+ Plugins/CDIReader/Reader/vtkCDIReader.cxx | 115 ++---------
+ Plugins/CDIReader/Reader/vtkCDIReader.h | 183 +++++++++---------
+ .../CDIReader/Testing/CDIDimensionsTest.xml | 25 +++
+ Plugins/CDIReader/Testing/CMakeLists.txt | 2 +
+ 4 files changed, 130 insertions(+), 195 deletions(-)
+ create mode 100644 Plugins/CDIReader/Testing/CDIDimensionsTest.xml
+
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.cxx b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+index 763b6e6602..7df87eff14 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.cxx
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.cxx
+@@ -41,7 +41,6 @@ SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+ #include "vtkCellData.h"
+ #include "vtkCellType.h"
+ #include "vtkDataObject.h"
+-#include "vtkDoubleArray.h"
+ #include "vtkDummyController.h"
+ #include "vtkFieldData.h"
+ #include "vtkFileSeriesReader.h"
+@@ -262,18 +261,10 @@ vtkCDIReader::vtkCDIReader()
+ : Internals(new Internal())
+ {
+ vtkDebugMacro("Starting to create vtkCDIReader...");
+- this->Initialized = false;
+
+ this->SetNumberOfInputPorts(0);
+ this->SetNumberOfOutputPorts(1);
+
+- this->VariableDimensions = vtkSmartPointer<vtkStringArray>::New();
+- this->AllDimensions = vtkSmartPointer<vtkStringArray>::New();
+- this->AllVariableArrayNames = vtkSmartPointer<vtkStringArray>::New();
+- this->InfoRequested = false;
+- this->DataRequested = false;
+- this->HaveDomainData = false;
+-
+ // Setup selection callback to modify this object when array selection changes
+ this->SelectionObserver->SetCallback(&vtkCDIReader::SelectionCallback);
+ this->SelectionObserver->SetClientData(this);
+@@ -281,7 +272,6 @@ vtkCDIReader::vtkCDIReader()
+ this->PointDataArraySelection->AddObserver(vtkCommand::ModifiedEvent, this->SelectionObserver);
+ this->DomainDataArraySelection->AddObserver(vtkCommand::ModifiedEvent, this->SelectionObserver);
+
+- this->Controller = nullptr;
+ this->SetController(vtkMultiProcessController::GetGlobalController());
+ if (!this->Controller)
+ {
+@@ -289,8 +279,6 @@ vtkCDIReader::vtkCDIReader()
+ this->SetController(dummyController);
+ }
+
+- this->SetDefaults();
+-
+ vtkDebugMacro("MAX_VARS:" << MAX_VARS);
+ vtkDebugMacro("Created vtkCDIReader");
+ }
+@@ -802,78 +790,6 @@ int vtkCDIReader::RegenerateGeometry()
+ return 1;
+ }
+
+-//----------------------------------------------------------------------------
+-// Set defaults for various parameters and initialize some variables
+-//----------------------------------------------------------------------------
+-void vtkCDIReader::SetDefaults()
+-{
+- this->Grib = false;
+-
+- this->VerticalLevelRange[0] = 0;
+- this->VerticalLevelRange[1] = 1;
+- this->VerticalLevelSelected = 0;
+- this->LayerThicknessRange[0] = 0;
+- this->LayerThicknessRange[1] = 100;
+- this->LayerThickness = 50;
+- this->Bloat = 2.0;
+-
+- this->Layer0OffsetRange[0] = -50;
+- this->Layer0OffsetRange[1] = 51;
+- this->Layer0Offset = 1e-30;
+-
+- // this is hard coded for now but will change when data generation gets more mature
+- this->PerformanceDataFile = "timer.atmo.";
+- this->DomainVarName = "cell_owner";
+- this->DomainDimension = "domains";
+- this->HaveDomainVariable = false;
+- this->HaveDomainData = false;
+-
+- this->DimensionSelection = "";
+- this->InvertZAxis = false;
+- this->DoublePrecision = false;
+- this->ShowClonClat = false;
+- this->ProjectionMode = projection::SPHERICAL;
+- this->ShowMultilayerView = false;
+- this->ReconstructNew = false;
+- this->CellDataSelected = 0;
+- this->PointDataSelected = 0;
+- this->MaskingVarname = "";
+- this->GotMask = false;
+- this->AddCoordinateVars = false;
+- this->NumberOfTimeSteps = 0;
+- this->NumberOfAllTimeSteps = 0;
+- this->TimeSeriesTimeSteps.reserve(5);
+- this->TimeSteps.reserve(100 * 250 + 25);
+- this->TimeSeriesTimeStepsAllSet = false;
+- this->GridReconstructed = false;
+- this->CustomMaskValue = 0.0;
+- this->InvertMask = false;
+- this->UseMask = false;
+- this->UseCustomMaskValue = false;
+- this->Decomposition = false;
+-
+- this->SkipGrid = false;
+-
+- this->BeginCell = 0;
+- this->FirstDay = -1;
+- this->TimeSet = false;
+-
+- this->DTime = 0;
+- this->FileSeriesNumber = 0;
+- this->NumberOfFiles = 1;
+- this->NeedVerticalGridFile = false;
+- this->GridID = -1;
+- this->NumberOfProcesses = 1;
+-
+- this->BuildDomainArrays = false;
+- this->MaximumNVertLevels = 0;
+- this->MaximumPoints = 0;
+- this->MaximumCells = 0;
+- this->DepthVar = nullptr;
+-
+- this->NumberOfPoints = 0;
+-}
+-
+ //----------------------------------------------------------------------------
+ // Get dimensions of key NetCDF variables
+ //----------------------------------------------------------------------------
+@@ -983,6 +899,7 @@ int vtkCDIReader::GetDims()
+ this->DimensionSelection = this->Internals->DimensionSets.begin()->first;
+ }
+ for (int i = 0; i < this->Internals->Grids.size(); i++)
++ {
+ if (this->Internals->DimensionSets.at(this->DimensionSelection).GridSize ==
+ this->Internals->Grids.at(i).Size)
+ {
+@@ -990,6 +907,7 @@ int vtkCDIReader::GetDims()
+ this->Internals->Grids.at(i).GridID;
+ this->GridID = i;
+ }
++ }
+ this->ZAxisID = this->Internals->DimensionSets.at(this->DimensionSelection).ZAxisID;
+
+ try
+@@ -1047,16 +965,16 @@ int vtkCDIReader::GetDims()
+ int vtkCDIReader::ReadHorizontalGridData()
+ {
+ this->Internals->Grids.resize(0);
+- int vlistID_l = this->Internals->GridFile.getVListID();
+- if (vlistID_l == CDI_UNDEFID)
++ int vListID = this->Internals->GridFile.getVListID();
++ if (vListID == CDI_UNDEFID)
+ {
+ vtkErrorMacro("No VList found in Grid file.");
+ return 0;
+ }
+- int ngrids = vlistNgrids(vlistID_l);
++ int ngrids = vlistNgrids(vListID);
+ for (int i = 0; i < ngrids; ++i)
+ {
+- int gridID_l = vlistGrid(vlistID_l, i);
++ int gridID_l = vlistGrid(vListID, i);
+ int nv = gridInqNvertex(gridID_l);
+
+ if (nv >= 3) // ((nv == 3 || nv == 4)) // && gridInqType(gridID_l) == GRID_UNSTRUCTURED)
+@@ -1499,8 +1417,7 @@ int vtkCDIReader::ConstructGridGeometry()
+ }
+ cLonVertices.resize(size);
+ cLatVertices.resize(size);
+- this->DepthVar = new double[this->MaximumNVertLevels];
+- CHECK_NEW(this->DepthVar);
++ this->DepthVar.resize(this->MaximumNVertLevels);
+
+ vtkDebugMacro("Start reading Vertices");
+ try
+@@ -1519,7 +1436,7 @@ int vtkCDIReader::ConstructGridGeometry()
+ vtkDebugMacro("Done reading Vertices");
+ vtkDebugMacro("Getting vertical axis" << this->ZAxisID << " expecting up to "
+ << this->MaximumNVertLevels << " levels.");
+- zaxisInqLevels(this->ZAxisID, this->DepthVar);
++ zaxisInqLevels(this->ZAxisID, this->DepthVar.data());
+ vtkDebugMacro("Got vertical axis" << this->ZAxisID);
+ char units[CDI_MAX_NAME];
+ this->OrigConnections.resize(size);
+@@ -2030,9 +1947,8 @@ int vtkCDIReader::AddMaskHalo()
+ //----------------------------------------------------------------------------
+ bool vtkCDIReader::BuildDomainCellVars()
+ {
+- this->DomainCellVar = new double[this->NumberOfCells * this->NumberOfDomainVars];
++ this->DomainCellVar.resize(this->NumberOfCells * this->NumberOfDomainVars);
+ std::vector<double> domainTMP(this->NumberOfCells);
+- CHECK_NEW(this->DomainCellVar);
+ double val = 0;
+ int mask_pos = 0;
+ int numVars = vlistNvars(this->Internals->DataFile.getVListID());
+@@ -2058,7 +1974,7 @@ bool vtkCDIReader::BuildDomainCellVars()
+ val = this->DomainVarDataArray->GetArray(j)->GetComponent(domainTMP[k], 0l);
+ this->DomainCellVar[k + (j * this->NumberOfCells)] = val;
+ }
+- domainVar->SetArray(this->DomainCellVar + (j * this->NumberOfCells), this->NumberLocalCells, 0,
++ domainVar->SetArray(&(this->DomainCellVar[j * this->NumberOfCells]), this->NumberLocalCells, 0,
+ vtkDoubleArray::VTK_DATA_ARRAY_FREE);
+ domainVar->SetName(this->Internals->DomainVars[j].c_str());
+ this->Output->GetCellData()->AddArray(domainVar);
+@@ -2364,7 +2280,7 @@ void vtkCDIReader::OutputPoints(bool init)
+ points->Allocate(this->MaximumPoints, this->MaximumPoints);
+ }
+
+- if (this->DepthVar == nullptr)
++ if (this->DepthVar.empty())
+ {
+ vtkDebugMacro("OutputPoints: this->MaximumPoints: "
+ << this->MaximumPoints << " this->MaximumNVertLevels: " << this->MaximumNVertLevels
+@@ -2507,7 +2423,7 @@ void vtkCDIReader::OutputCells(bool init)
+ << " ShowMultilayerView: " << this->ShowMultilayerView
+ << " CurrentExtraCell: " << this->CurrentExtraCell);
+
+- if (this->DepthVar == nullptr)
++ if (this->DepthVar.empty())
+ {
+ vtkErrorMacro(
+ "File " << this->FileName << " OutputCells: this->MaximumCells: " << this->MaximumCells
+@@ -2610,10 +2526,8 @@ void vtkCDIReader::OutputCells(bool init)
+
+ if (this->AddCoordinateVars && this->ShowClonClat)
+ {
+- this->ClonArray = vtkSmartPointer<vtkDoubleArray>::New();
+ this->ClonArray->SetName("Center Longitude (CLON)");
+ this->ClonArray->SetNumberOfTuples(this->NumberLocalCells * this->MaximumNVertLevels);
+- this->ClatArray = vtkSmartPointer<vtkDoubleArray>::New();
+ this->ClatArray->SetName("Center Latitude (CLAT)");
+ this->ClatArray->SetNumberOfTuples(this->NumberLocalCells * this->MaximumNVertLevels);
+ if (this->ShowMultilayerView)
+@@ -3132,7 +3046,6 @@ int vtkCDIReader::LoadDomainVarData(int variableIndex)
+ // the data available. Needs to be improved together with the modellers.
+ vtkDebugMacro("In vtkCDIReader::LoadDomainVarData");
+ std::string variable = this->Internals->DomainVars[variableIndex];
+- this->DomainDataSelected = variableIndex;
+
+ // Allocate data array for this variable
+ if (!this->DomainVarDataArray->HasArray(variable.c_str()))
+@@ -3272,13 +3185,13 @@ int vtkCDIReader::FillGridDimensions()
+ counter++;
+ }
+ }
+- this->AllDimensions->SetNumberOfValues(0);
++ this->AllDimensions->SetNumberOfValues(counter);
+ this->VariableDimensions->SetNumberOfValues(counter);
+
+ int i = 0;
+ for (const auto& label_diset_tuple : this->Internals->DimensionSets)
+ {
+- this->AllDimensions->InsertNextValue(label_diset_tuple.first);
++ this->AllDimensions->SetValue(i, label_diset_tuple.first);
+ this->VariableDimensions->SetValue(i, label_diset_tuple.first.c_str());
+ ++i;
+ }
+diff --git a/Plugins/CDIReader/Reader/vtkCDIReader.h b/Plugins/CDIReader/Reader/vtkCDIReader.h
+index 3bbee37929..087fe35a54 100644
+--- a/Plugins/CDIReader/Reader/vtkCDIReader.h
++++ b/Plugins/CDIReader/Reader/vtkCDIReader.h
+@@ -41,8 +41,9 @@ SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+ #include "vtkUnstructuredGridAlgorithm.h"
+
+ #include "vtkDataArraySelection.h" // for ivars
+-#include "vtkSmartPointer.h" // for ivars
+-#include "vtkStringArray.h" // for ivars
++#include "vtkDoubleArray.h"
++#include "vtkSmartPointer.h" // for ivars
++#include "vtkStringArray.h" // for ivars
+
+ #include "projections.h" // for projection enum
+
+@@ -94,11 +95,11 @@ public:
+ vtkGetMacro(NumberOfCellVars, int);
+ vtkGetMacro(NumberOfPointVars, int);
+
+- vtkSmartPointer<vtkStringArray> VariableDimensions;
+- vtkSmartPointer<vtkStringArray> AllDimensions;
++ vtkNew<vtkStringArray> VariableDimensions;
++ vtkNew<vtkStringArray> AllDimensions;
+ void SetDimensions(const char* dimensions);
+ vtkStringArray* GetAllVariableArrayNames();
+- vtkSmartPointer<vtkStringArray> AllVariableArrayNames;
++ vtkNew<vtkStringArray> AllVariableArrayNames;
+ vtkGetObjectMacro(AllDimensions, vtkStringArray);
+ vtkGetObjectMacro(VariableDimensions, vtkStringArray);
+
+@@ -200,7 +201,6 @@ protected:
+
+ int OpenFile();
+ void DestroyData();
+- void SetDefaults();
+ int CheckForMaskData();
+ int AddMaskHalo();
+ int GetVars();
+@@ -259,54 +259,52 @@ protected:
+ int AddMirrorPointX(int index, double dividerX, double offset);
+ int AddMirrorPointY(int index, double dividerY, double offset);
+
+- vtkMultiProcessController* Controller;
+-
+- bool Initialized;
+-
+- int NumberOfProcesses;
+- double CustomMaskValue;
+- int BeginPoint, EndPoint, BeginCell, EndCell;
+- int Piece, NumPieces;
+- int NumberLocalCells;
+- int NumberAllCells;
+- int NumberLocalPoints;
+- int NumberAllPoints;
+- bool Decomposition;
+- long FirstDay;
+- int ModNumPoints;
+- int ModNumCells;
+- unsigned int CurrentExtraPoint; // current extra point
+- unsigned int CurrentExtraCell; // current extra cell
++ vtkMultiProcessController* Controller = nullptr;
++
++ bool Initialized = false;
++
++ int NumberOfProcesses = 1;
++ double CustomMaskValue = 0.0;
++ int BeginPoint = 0, EndPoint = 0, BeginCell = 0, EndCell = 0;
++ int Piece = 0, NumPieces = 0;
++ int NumberLocalCells = 0;
++ int NumberAllCells = 0;
++ int NumberLocalPoints = 0;
++ int NumberAllPoints = 0;
++ bool Decomposition = false;
++ long FirstDay = -1;
++ int ModNumPoints = 0;
++ int ModNumCells = 0;
++ unsigned int CurrentExtraPoint = 0; // current extra point
++ unsigned int CurrentExtraCell = 0; // current extra cell
+ std::vector<unsigned int> CellMap; // maps from added cell to original cell #
+ std::vector<unsigned int> PointMap; // maps from added point to original point #
+
+- std::string FileName;
+- std::string FileNameGrid;
+- std::string FileNameGridSelect;
+- std::string FileSeriesFirstName;
+- std::string MaskingVarname;
+- int NumberOfTimeSteps;
+- int NumberOfAllTimeSteps;
++ std::string FileName = "";
++ std::string FileSeriesFirstName = "";
++ std::string MaskingVarname = "";
++ int NumberOfTimeSteps = 0;
++ int NumberOfAllTimeSteps = 0;
+ std::vector<int> TimeSeriesTimeSteps;
+- bool TimeSeriesTimeStepsAllSet;
+- bool TimeSet;
+- double DTime;
++ bool TimeSeriesTimeStepsAllSet = false;
++ bool TimeSet = false;
++ double DTime = 0;
+ std::vector<double> TimeSteps;
+- int FileSeriesNumber;
+- int NumberOfFiles;
+- double Bloat;
++ int FileSeriesNumber = 0;
++ int NumberOfFiles = 1;
++ double Bloat = 2.0;
+
+- bool UseMask;
+- bool InvertMask;
+- bool GotMask;
+- bool UseCustomMaskValue;
++ bool UseMask = false;
++ bool InvertMask = false;
++ bool GotMask = false;
++ bool UseCustomMaskValue = false;
+
+- bool SkipGrid;
++ bool SkipGrid = false;
+
+ vtkNew<vtkCallbackCommand> SelectionObserver;
+- bool InfoRequested;
+- bool DataRequested;
+- bool Grib;
++ bool InfoRequested = false;
++ bool DataRequested = false;
++ bool Grib = false;
+
+ vtkNew<vtkDataArraySelection> CellDataArraySelection;
+ vtkNew<vtkDataArraySelection> PointDataArraySelection;
+@@ -316,69 +314,66 @@ protected:
+ vtkNew<vtkFieldData> PointVarDataArray;
+ vtkNew<vtkFieldData> DomainVarDataArray;
+
+- int VerticalLevelSelected;
+- int VerticalLevelRange[2];
+- int CellDataSelected;
+- int PointDataSelected;
+- int DomainDataSelected;
+- int LayerThickness;
+- int LayerThicknessRange[2];
+- double Layer0Offset;
+- double Layer0OffsetRange[2];
+-
+- std::string DimensionSelection;
+- bool InvertZAxis;
+- bool AddCoordinateVars;
+- projection::Projection ProjectionMode;
+- bool DoublePrecision;
+- bool ShowClonClat;
+- bool ShowMultilayerView;
+- bool HaveDomainData;
+- bool HaveDomainVariable;
+- bool BuildDomainArrays;
+- std::string DomainVarName;
+- std::string DomainDimension;
+- std::string PerformanceDataFile;
+-
+- int MaximumNVertLevels;
+- int NumberOfCells;
+- int NumberOfVertices;
+- int NumberOfPoints;
+- int NumberOfTriangles;
+- int NumberOfDomains;
+- int PointsPerCell;
+- bool ReconstructNew;
+- bool NeedHorizontalGridFile;
+- bool NeedVerticalGridFile;
+- bool WrapOn;
++ int VerticalLevelSelected = 0;
++ int VerticalLevelRange[2] = { 0, 1 };
++ int CellDataSelected = 0;
++ int PointDataSelected = 0;
++ int LayerThickness = 50;
++ int LayerThicknessRange[2] = { 0, 100 };
++ double Layer0Offset = 1e-30;
++ double Layer0OffsetRange[2] = { -50, 51 };
++
++ std::string DimensionSelection = "";
++ bool InvertZAxis = false;
++ bool AddCoordinateVars = false;
++ projection::Projection ProjectionMode = projection::SPHERICAL;
++ bool DoublePrecision = false;
++ bool ShowClonClat = false;
++ bool ShowMultilayerView = false;
++ bool HaveDomainData = false;
++ bool HaveDomainVariable = false;
++ bool BuildDomainArrays = false;
++
++ // this is hard coded for now but will change when data generation gets more mature
++ std::string DomainVarName = "cell_owner";
++ std::string DomainDimension = "domains";
++ std::string PerformanceDataFile = "timer.atmo.";
++
++ int MaximumNVertLevels = 0;
++ int NumberOfCells = 0;
++ int NumberOfPoints = 0;
++ int NumberOfDomains = 0;
++ int PointsPerCell = 0;
++ bool ReconstructNew = false;
++ bool WrapOn = false;
+
+ std::vector<double> CLon;
+ std::vector<double> CLat;
+- double* DepthVar;
++ std::vector<double> DepthVar;
+ std::vector<double> PointX;
+ std::vector<double> PointY;
+ std::vector<double> PointZ;
+ std::vector<int> OrigConnections;
+ std::vector<int> ModConnections;
+ std::vector<bool> CellMask;
+- double* DomainCellVar;
+- int MaximumCells;
+- int MaximumPoints;
++ std::vector<double> DomainCellVar;
++ int MaximumCells = 0;
++ int MaximumPoints = 0;
+ std::vector<int> VertexIds;
+
+- int NumberOfCellVars;
+- int NumberOfPointVars;
+- int NumberOfDomainVars;
+- bool GridReconstructed;
++ int NumberOfCellVars = 0;
++ int NumberOfPointVars = 0;
++ int NumberOfDomainVars = 0;
++ bool GridReconstructed = false;
+
+- int GridID;
+- int ZAxisID;
++ int GridID = -1;
++ int ZAxisID = -1;
+ std::unordered_set<int> SurfIDs;
+
+- std::string TimeUnits;
+- std::string Calendar;
+- vtkSmartPointer<vtkDoubleArray> ClonArray;
+- vtkSmartPointer<vtkDoubleArray> ClatArray;
++ std::string TimeUnits = "";
++ std::string Calendar = "";
++ vtkNew<vtkDoubleArray> ClonArray;
++ vtkNew<vtkDoubleArray> ClatArray;
+ vtkNew<vtkUnstructuredGrid> Output;
+
+ private:
+diff --git a/Plugins/CDIReader/Testing/CDIDimensionsTest.xml b/Plugins/CDIReader/Testing/CDIDimensionsTest.xml
+new file mode 100644
+index 0000000000..4b71e0824b
+--- /dev/null
++++ b/Plugins/CDIReader/Testing/CDIDimensionsTest.xml
+@@ -0,0 +1,25 @@
++<?xml version="1.0" ?>
++<pqevents>
++ <pqevent object="pqClientMainWindow/MainControlsToolbar/actionOpenData" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/FileOpenDialog" command="filesSelected" arguments="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/NetCDF/edges.nc" />
++ <pqevent object="pqClientMainWindow/pqSelectReaderDialog/okButton" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/Show3DSurface/CheckBox" command="set_boolean" arguments="true" />
++ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/variableToolbar/displayColor/Variables" command="activated" arguments="p_ice_Tsurf" />
++ <pqevent object="pqClientMainWindow/cameraToolbar/actionIsometricView" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionTest_0.png" width="300" height="300" />
++
++ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/Dimensions/ComboBox" command="activated" arguments="(clon, clat, depth_2)" />
++ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/cameraToolbar/actionIsometricView" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionTest_1.png" width="300" height="300" />
++
++ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/Dimensions/ComboBox" command="activated" arguments="(elon, elat, depth)" />
++ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/variableToolbar/displayColor/Variables" command="activated" arguments="VN" />
++ <pqevent object="pqClientMainWindow/cameraToolbar/actionIsometricView" command="activate" arguments="" />
++ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
++</pqevents>
+diff --git a/Plugins/CDIReader/Testing/CMakeLists.txt b/Plugins/CDIReader/Testing/CMakeLists.txt
+index 1862dff5b2..7e3628e39d 100644
+--- a/Plugins/CDIReader/Testing/CMakeLists.txt
++++ b/Plugins/CDIReader/Testing/CMakeLists.txt
+@@ -10,11 +10,13 @@ ExternalData_Expand_Arguments(ParaViewData _
+ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/NetCDF/fesom.nc}"
+ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDISimpleRead.png,:}"
+ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIDimensionsTest.png,:}"
+ )
+
+ set (xml_tests
+ CDISimpleRead.xml
+ CDIUseMask.xml
++ CDIDimensionsTest.xml
+ )
+
+ paraview_add_client_tests(
+--
+GitLab
+
+
+From b3d4bc3426d112567a0072cb8cffa7cf8b2aa42f Mon Sep 17 00:00:00 2001
+From: Mathieu Westphal <mathieu.westphal@kitware.com>
+Date: Wed, 23 Nov 2022 13:55:04 +0100
+Subject: [PATCH 5/5] Adding testing data
+
+Add/fix baselines for testing in CDIReader plugin
+
+Fix tests
+---
+ Plugins/CDIReader/Testing/CDIDimensionsTest.xml | 4 ++--
+ Plugins/CDIReader/Testing/CDISimpleRead.xml | 10 +++++-----
+ Plugins/CDIReader/Testing/CDIUseMask.xml | 12 ++++++------
+ Plugins/CDIReader/Testing/CMakeLists.txt | 17 ++++++++++++++---
+ .../Data/Baseline/CDIDimensionsTest.png.sha512 | 1 +
+ .../Baseline/CDIDimensionsTest_A.png.sha512 | 1 +
+ .../Baseline/CDIDimensionsTest_B.png.sha512 | 1 +
+ ..._0.png.sha512 => CDISimpleRead_A.png.sha512} | 0
+ ..._1.png.sha512 => CDISimpleRead_B.png.sha512} | 0
+ ..._2.png.sha512 => CDISimpleRead_C.png.sha512} | 0
+ ..._3.png.sha512 => CDISimpleRead_D.png.sha512} | 0
+ ..._4.png.sha512 => CDISimpleRead_E.png.sha512} | 0
+ ...ask_0.png.sha512 => CDIUseMask_A.png.sha512} | 0
+ ...ask_1.png.sha512 => CDIUseMask_B.png.sha512} | 0
+ ...ask_2.png.sha512 => CDIUseMask_C.png.sha512} | 0
+ ...ask_3.png.sha512 => CDIUseMask_D.png.sha512} | 0
+ ...ask_4.png.sha512 => CDIUseMask_E.png.sha512} | 0
+ ...ask_5.png.sha512 => CDIUseMask_F.png.sha512} | 0
+ .../Testing/Data/NetCDF/edges.nc.sha512 | 1 +
+ 19 files changed, 31 insertions(+), 16 deletions(-)
+ create mode 100644 Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest.png.sha512
+ create mode 100644 Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_A.png.sha512
+ create mode 100644 Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_B.png.sha512
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDISimpleRead_0.png.sha512 => CDISimpleRead_A.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDISimpleRead_1.png.sha512 => CDISimpleRead_B.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDISimpleRead_2.png.sha512 => CDISimpleRead_C.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDISimpleRead_3.png.sha512 => CDISimpleRead_D.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDISimpleRead_4.png.sha512 => CDISimpleRead_E.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDIUseMask_0.png.sha512 => CDIUseMask_A.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDIUseMask_1.png.sha512 => CDIUseMask_B.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDIUseMask_2.png.sha512 => CDIUseMask_C.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDIUseMask_3.png.sha512 => CDIUseMask_D.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDIUseMask_4.png.sha512 => CDIUseMask_E.png.sha512} (100%)
+ rename Plugins/CDIReader/Testing/Data/Baseline/{CDIUseMask_5.png.sha512 => CDIUseMask_F.png.sha512} (100%)
+ create mode 100644 Plugins/CDIReader/Testing/Data/NetCDF/edges.nc.sha512
+
+diff --git a/Plugins/CDIReader/Testing/CDIDimensionsTest.xml b/Plugins/CDIReader/Testing/CDIDimensionsTest.xml
+index 4b71e0824b..bdcb113c46 100644
+--- a/Plugins/CDIReader/Testing/CDIDimensionsTest.xml
++++ b/Plugins/CDIReader/Testing/CDIDimensionsTest.xml
+@@ -8,14 +8,14 @@
+ <pqevent object="pqClientMainWindow/variableToolbar/displayColor/Variables" command="activated" arguments="p_ice_Tsurf" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionIsometricView" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionTest_0.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_A.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/Dimensions/ComboBox" command="activated" arguments="(clon, clat, depth_2)" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionIsometricView" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionTest_1.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_B.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/Dimensions/ComboBox" command="activated" arguments="(elon, elat, depth)" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+diff --git a/Plugins/CDIReader/Testing/CDISimpleRead.xml b/Plugins/CDIReader/Testing/CDISimpleRead.xml
+index 3f787a306b..564721e3f5 100644
+--- a/Plugins/CDIReader/Testing/CDISimpleRead.xml
++++ b/Plugins/CDIReader/Testing/CDISimpleRead.xml
+@@ -16,27 +16,27 @@
+ <pqevent object="pqClientMainWindow/variableToolbar/actionScalarBarVisibility" command="set_boolean" arguments="false" />
+
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_0.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_A.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Spherical Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_1.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_B.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Cassini Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_2.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_C.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Mollweide Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_3.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_D.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Catalyst (no scaling)" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_4.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_E.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Spilhouse Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+diff --git a/Plugins/CDIReader/Testing/CDIUseMask.xml b/Plugins/CDIReader/Testing/CDIUseMask.xml
+index f140573c29..b39e4929da 100644
+--- a/Plugins/CDIReader/Testing/CDIUseMask.xml
++++ b/Plugins/CDIReader/Testing/CDIUseMask.xml
+@@ -11,31 +11,31 @@
+ <pqevent object="pqClientMainWindow/variableToolbar/displayColor/Variables" command="activated" arguments="thetao" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionNegativeY" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_0.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_A.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Spherical Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_1.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_B.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Cassini Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_2.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_C.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Mollweide Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_3.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_D.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Catalyst (no scaling)" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_4.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_E.png" width="300" height="300" />
+
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/scrollArea/qt_scrollarea_viewport/scrollAreaWidgetContents/PropertiesFrame/ProxyPanel/SetProjection/ComboBox" command="activated" arguments="Spilhouse Projection" />
+ <pqevent object="pqClientMainWindow/propertiesDock/propertiesPanel/Accept" command="activate" arguments="" />
+ <pqevent object="pqClientMainWindow/cameraToolbar/actionResetCamera" command="activate" arguments="" />
+- <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_5.png" width="300" height="300" />
++ <pqcompareview object="pqClientMainWindow/centralwidget/MultiViewWidget/CoreWidget/qt_tabwidget_stackedwidget/MultiViewWidget1/Container/Frame.0/CentralWidgetFrame/Viewport" baseline="$PARAVIEW_DATA_ROOT/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_F.png" width="300" height="300" />
+
+ </pqevents>
+diff --git a/Plugins/CDIReader/Testing/CMakeLists.txt b/Plugins/CDIReader/Testing/CMakeLists.txt
+index 7e3628e39d..e31c515f2b 100644
+--- a/Plugins/CDIReader/Testing/CMakeLists.txt
++++ b/Plugins/CDIReader/Testing/CMakeLists.txt
+@@ -6,11 +6,22 @@ endif()
+
+ set(_paraview_add_tests_default_test_data_target ParaViewData)
+ ExternalData_Expand_Arguments(ParaViewData _
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/NetCDF/edges.nc}"
+ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/NetCDF/ts.nc}"
+ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/NetCDF/fesom.nc}"
+- "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDISimpleRead.png,:}"
+- "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask.png,:}"
+- "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIDimensionsTest.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDISimpleRead_A.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDISimpleRead_B.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDISimpleRead_C.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDISimpleRead_D.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDISimpleRead_E.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask_A.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask_B.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask_C.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask_D.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask_E.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIUseMask_F.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIDimensionsTest_A.png,:}"
++ "DATA{${CMAKE_CURRENT_SOURCE_DIR}/Data/Baseline/CDIDimensionsTest_B.png,:}"
+ )
+
+ set (xml_tests
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest.png.sha512
+new file mode 100644
+index 0000000000..9b8b47efa6
+--- /dev/null
++++ b/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest.png.sha512
+@@ -0,0 +1 @@
++11c6513595364e3e3dec4e21f4711745deb4cccf8a0f6d3cf6343a4241cf8bbbbdd21e3390b7313e499fd3669f828548e3e88b0f262cb188735809efbd076e06
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_A.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_A.png.sha512
+new file mode 100644
+index 0000000000..2b763c05e8
+--- /dev/null
++++ b/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_A.png.sha512
+@@ -0,0 +1 @@
++2b8c39ffbb41b22699a3ec4e84c29ee9dc701171dc31367919b027559c1785a73c772351e0a6fca60781f1aad45c41f0cb3be8f9f165c06c9b9c9ac2ead7877c
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_B.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_B.png.sha512
+new file mode 100644
+index 0000000000..55a1a41256
+--- /dev/null
++++ b/Plugins/CDIReader/Testing/Data/Baseline/CDIDimensionsTest_B.png.sha512
+@@ -0,0 +1 @@
++a82a7f285150826a49c95253cd7b4ddbe83f138673b7979e00f3e7a137c8f6860a1847e7f5337722ef48cdf94c05654fa1d35b626b82edaf0d7f221d1f515324
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_0.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_A.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_0.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_A.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_1.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_B.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_1.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_B.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_2.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_C.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_2.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_C.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_3.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_D.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_3.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_D.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_4.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_E.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_4.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDISimpleRead_E.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_0.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_A.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_0.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_A.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_1.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_B.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_1.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_B.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_2.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_C.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_2.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_C.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_3.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_D.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_3.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_D.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_4.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_E.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_4.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_E.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_5.png.sha512 b/Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_F.png.sha512
+similarity index 100%
+rename from Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_5.png.sha512
+rename to Plugins/CDIReader/Testing/Data/Baseline/CDIUseMask_F.png.sha512
+diff --git a/Plugins/CDIReader/Testing/Data/NetCDF/edges.nc.sha512 b/Plugins/CDIReader/Testing/Data/NetCDF/edges.nc.sha512
+new file mode 100644
+index 0000000000..4b3e624b62
+--- /dev/null
++++ b/Plugins/CDIReader/Testing/Data/NetCDF/edges.nc.sha512
+@@ -0,0 +1 @@
++eb097c55f8df99e7f0be7b387de6c8970ba8255b6c633d3f2c4247ad5a8fe67238db8a98ff6322d4c03133a7c424832f1873f3e219734cdff517e731f60b60b6
+--
+GitLab
+
diff --git a/Golden_Repo/p/ParaView/parflowreader_fix-nlohmann_merge6050.patch b/Golden_Repo/p/ParaView/parflowreader_fix-nlohmann_merge6050.patch
new file mode 100644
index 0000000000000000000000000000000000000000..05b0a99a23f1b7cc4c1ebfcac1477f722d5a92af
--- /dev/null
+++ b/Golden_Repo/p/ParaView/parflowreader_fix-nlohmann_merge6050.patch
@@ -0,0 +1,160 @@
+From 1a32dd6fc394a75b6898b1d692157826ed235015 Mon Sep 17 00:00:00 2001
+From: David Thompson <david.thompson@kitware.com>
+Date: Sat, 3 Dec 2022 01:08:56 -0500
+Subject: [PATCH 1/2] Make the ParFlow Plugin work with modern nlohmann::json.
+
+The previous version worked with nlohmann::json v3.6.1 but
+is broken using v3.11.2. Rather than attempt to throw internal
+nlohmann::json exception types, throw standard C++ exceptions
+for our errors.
+---
+ Plugins/ParFlow/IO/vtkVectorJSON.h | 7 ++++---
+ 1 file changed, 4 insertions(+), 3 deletions(-)
+
+diff --git a/Plugins/ParFlow/IO/vtkVectorJSON.h b/Plugins/ParFlow/IO/vtkVectorJSON.h
+index 8e4d23c7e4..fb7fb5ecdb 100644
+--- a/Plugins/ParFlow/IO/vtkVectorJSON.h
++++ b/Plugins/ParFlow/IO/vtkVectorJSON.h
+@@ -6,6 +6,8 @@
+
+ #include "nlohmann/json.hpp" // for json
+
++#include <stdexcept>
++
+ /// Convert a vtkVector (or any vtkTuple) into a json::array.
+ template <typename T, int S>
+ void to_json(nlohmann::json& j, const vtkTuple<T, S>& vec)
+@@ -19,12 +21,11 @@ void from_json(const nlohmann::json& j, vtkTuple<T, S>& vec)
+ {
+ if (!j.is_array())
+ {
+- throw nlohmann::detail::type_error::create(
+- 302, "type must be array, but is " + std::string(j.type_name()));
++ throw std::invalid_argument("type must be array, but is " + std::string(j.type_name()));
+ }
+ if (static_cast<int>(j.size()) != vec.GetSize())
+ {
+- throw nlohmann::detail::type_error::create(302, "array sizes do not match");
++ throw std::invalid_argument("array sizes do not match");
+ }
+ int ii = 0;
+ for (auto it = j.begin(); it != j.end(); ++it, ++ii)
+--
+GitLab
+
+
+From e7a0cb1c336fae38c41987e20ee2834eca034ae9 Mon Sep 17 00:00:00 2001
+From: David Thompson <david.thompson@kitware.com>
+Date: Sat, 3 Dec 2022 01:28:27 -0500
+Subject: [PATCH 2/2] Switch the ParFlow plugin to VTK's nlohmann::json.
+
+Using this version allows us to enable the plugin by
+default since it doesn't add any external dependencies.
+---
+ CMakeLists.txt | 2 +-
+ Plugins/ParFlow/IO/CMakeLists.txt | 7 -------
+ Plugins/ParFlow/IO/vtk.module | 1 +
+ Plugins/ParFlow/IO/vtkParFlowMetaReader.cxx | 7 ++++++-
+ Plugins/ParFlow/IO/vtkParFlowMetaReader.h | 5 +++++
+ Plugins/ParFlow/IO/vtkVectorJSON.h | 5 +++++
+ 6 files changed, 18 insertions(+), 9 deletions(-)
+
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 2674a59e83..e28ee1a594 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -312,7 +312,7 @@ set(paraview_default_plugins
+ PacMan
+ PanoramicProjectionView
+ ParametricSurfaces
+- # ParFlow - Because of dependency to nlohmann_json
++ ParFlow
+ SaveStateAndScreenshot
+ SLACTools
+ StreamLinesRepresentation
+diff --git a/Plugins/ParFlow/IO/CMakeLists.txt b/Plugins/ParFlow/IO/CMakeLists.txt
+index ddafa4e6ab..733fd6cfc4 100644
+--- a/Plugins/ParFlow/IO/CMakeLists.txt
++++ b/Plugins/ParFlow/IO/CMakeLists.txt
+@@ -7,17 +7,10 @@ set(private_headers
+ vtkVectorJSON.h
+ )
+
+-vtk_module_find_package(
+- PACKAGE nlohmann_json)
+-
+ vtk_module_add_module(ParFlow::IO
+ CLASSES ${classes}
+ PRIVATE_HEADERS ${private_headers}
+ )
+-vtk_module_link(ParFlow::IO
+- PUBLIC nlohmann_json::nlohmann_json
+-)
+-
+ paraview_add_server_manager_xmls(
+ XMLS ParFlowIO.xml
+ )
+diff --git a/Plugins/ParFlow/IO/vtk.module b/Plugins/ParFlow/IO/vtk.module
+index ea43242296..2caca0ba91 100644
+--- a/Plugins/ParFlow/IO/vtk.module
++++ b/Plugins/ParFlow/IO/vtk.module
+@@ -8,3 +8,4 @@ DEPENDS
+ VTK::CommonDataModel
+ VTK::CommonExecutionModel
+ VTK::ParallelCore
++ VTK::nlohmannjson
+diff --git a/Plugins/ParFlow/IO/vtkParFlowMetaReader.cxx b/Plugins/ParFlow/IO/vtkParFlowMetaReader.cxx
+index ba33a5eb77..06805bdf7d 100644
+--- a/Plugins/ParFlow/IO/vtkParFlowMetaReader.cxx
++++ b/Plugins/ParFlow/IO/vtkParFlowMetaReader.cxx
+@@ -25,7 +25,12 @@
+ #include "vtksys/FStream.hxx"
+ #include "vtksys/SystemTools.hxx"
+
+-#include "nlohmann/json.hpp"
++#if 0
++#include "nlohmann/json.hpp" // for json bits
++#else
++#include "vtk_nlohmannjson.h" // Use VTK's mangled version
++#include VTK_NLOHMANN_JSON(json.hpp) // Use VTK's mangled version
++#endif
+
+ #include <algorithm>
+ #include <cmath>
+diff --git a/Plugins/ParFlow/IO/vtkParFlowMetaReader.h b/Plugins/ParFlow/IO/vtkParFlowMetaReader.h
+index 3fc07ca58c..ace47939ee 100644
+--- a/Plugins/ParFlow/IO/vtkParFlowMetaReader.h
++++ b/Plugins/ParFlow/IO/vtkParFlowMetaReader.h
+@@ -8,7 +8,12 @@
+ #include "vtkSmartPointer.h" // for ivars
+ #include "vtkVector.h" // for vtkVector*
+
++#if 0
+ #include "nlohmann/json.hpp" // for json bits
++#else
++#include "vtk_nlohmannjson.h" // Use VTK's mangled version
++#include VTK_NLOHMANN_JSON(json.hpp) // Use VTK's mangled version
++#endif
+
+ #include <map> // for std::map
+ #include <set> // for std::set
+diff --git a/Plugins/ParFlow/IO/vtkVectorJSON.h b/Plugins/ParFlow/IO/vtkVectorJSON.h
+index fb7fb5ecdb..57b39e94a1 100644
+--- a/Plugins/ParFlow/IO/vtkVectorJSON.h
++++ b/Plugins/ParFlow/IO/vtkVectorJSON.h
+@@ -4,7 +4,12 @@
+
+ #include "vtkVector.h"
+
++#if 0
+ #include "nlohmann/json.hpp" // for json
++#else
++#include "vtk_nlohmannjson.h" // Use VTK's mangled version
++#include VTK_NLOHMANN_JSON(json.hpp) // Use VTK's mangled version
++#endif
+
+ #include <stdexcept>
+
+--
+GitLab
+
diff --git a/Golden_Repo/p/ParaViewData/ParaViewData-5.11.0-GCCcore-11.3.0.eb b/Golden_Repo/p/ParaViewData/ParaViewData-5.11.0-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..181fc925f177107f9ed0ff2aac145de4b3200c30
--- /dev/null
+++ b/Golden_Repo/p/ParaViewData/ParaViewData-5.11.0-GCCcore-11.3.0.eb
@@ -0,0 +1,28 @@
+easyblock = 'Tarball'
+
+name = 'ParaViewData'
+version = '5.11.0'
+
+homepage = 'https://www.paraview.org'
+description = "Testdata for ParaView"
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+local_dwnlsfx_src = 'download.php?submit=Download&version=v%(version_major_minor)s&type=data&os=Sources&downloadFile='
+source_urls = [
+ ('https://www.paraview.org/paraview-downloads/%s' % local_dwnlsfx_src)]
+sources = [
+ ('ParaViewTestingDataFiles-v%(version)s.tar.xz'),
+ ('ParaViewTestingDataStore-v%(version)s.tar.xz'),
+]
+checksums = [
+ ('sha256', '1fabddc33932986eb84cc7e5e08515aff0b9432d875f48ac87ba0285c856e7a2'),
+ ('sha256', '48b1e7bc38aac3696073cc6911cfb221832e4cc3787ea0010e80f9feb9f190cf'),
+]
+
+sanity_check_paths = {
+ 'files': ['.ExternalData/README.rst'],
+ 'dirs': ['.ExternalData', 'Clients', 'Plugins', 'Remoting', 'Testing', 'VTKExtensions'],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-foss-2022a-EGL.eb b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-foss-2022a-EGL.eb
new file mode 100644
index 0000000000000000000000000000000000000000..b2cfe635ec66e7a3471162c6e2dd5250a6393fc8
--- /dev/null
+++ b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-foss-2022a-EGL.eb
@@ -0,0 +1,34 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaViewPlugin-Nek5000'
+version = '20230208'
+versionsuffix = '-EGL'
+
+homepage = "http://www.paraview.org"
+description = "Plugin for ParaView. Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/jfavre/ParaViewNek5000Plugin/archive/']
+sources = ['bade61018d40d5ad83c1b64f3babaed2bdbe1986.tar.gz']
+checksums = ['c5ad5471299cce305adacfa2748026354628d2cc6b5321a48214a0461f2597ff']
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('ParaView', '5.11.0', '-EGL'),
+]
+
+separate_build_dir = True
+
+modextrapaths = {'PV_PLUGIN_PATH': './lib/paraview-5.11/plugins/pvNek5000Reader/'}
+
+sanity_check_paths = {
+ 'files': ['include/vtkNek5000Reader.h', 'lib/paraview-5.11/plugins/pvNek5000Reader/libNek5000Reader.so'],
+ 'dirs': ['include', 'lib', 'lib/paraview-5.11/plugins/pvNek5000Reader']
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-foss-2022a.eb b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..a4f75618a95e8ffb5470afa138ba660ec48e7356
--- /dev/null
+++ b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-foss-2022a.eb
@@ -0,0 +1,33 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaViewPlugin-Nek5000'
+version = '20230208'
+
+homepage = "http://www.paraview.org"
+description = "Plugin for ParaView. Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/jfavre/ParaViewNek5000Plugin/archive/']
+sources = ['bade61018d40d5ad83c1b64f3babaed2bdbe1986.tar.gz']
+checksums = ['c5ad5471299cce305adacfa2748026354628d2cc6b5321a48214a0461f2597ff']
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('ParaView', '5.11.0'),
+]
+
+separate_build_dir = True
+
+modextrapaths = {'PV_PLUGIN_PATH': './lib/paraview-5.11/plugins/pvNek5000Reader/'}
+
+sanity_check_paths = {
+ 'files': ['include/vtkNek5000Reader.h', 'lib/paraview-5.11/plugins/pvNek5000Reader/libNek5000Reader.so'],
+ 'dirs': ['include', 'lib', 'lib/paraview-5.11/plugins/pvNek5000Reader']
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-gpsmkl-2022a-EGL.eb b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-gpsmkl-2022a-EGL.eb
new file mode 100644
index 0000000000000000000000000000000000000000..fd4b649192f3c574d77ec61716d40486b2567aea
--- /dev/null
+++ b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-gpsmkl-2022a-EGL.eb
@@ -0,0 +1,34 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaViewPlugin-Nek5000'
+version = '20230208'
+versionsuffix = '-EGL'
+
+homepage = "http://www.paraview.org"
+description = "Plugin for ParaView. Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/jfavre/ParaViewNek5000Plugin/archive/']
+sources = ['bade61018d40d5ad83c1b64f3babaed2bdbe1986.tar.gz']
+checksums = ['c5ad5471299cce305adacfa2748026354628d2cc6b5321a48214a0461f2597ff']
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('ParaView', '5.11.0', '-EGL'),
+]
+
+separate_build_dir = True
+
+modextrapaths = {'PV_PLUGIN_PATH': './lib/paraview-5.11/plugins/pvNek5000Reader/'}
+
+sanity_check_paths = {
+ 'files': ['include/vtkNek5000Reader.h', 'lib/paraview-5.11/plugins/pvNek5000Reader/libNek5000Reader.so'],
+ 'dirs': ['include', 'lib', 'lib/paraview-5.11/plugins/pvNek5000Reader']
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-gpsmkl-2022a.eb b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..75d2cbfecb39fb8fea46a5a1daba62a00a1d3235
--- /dev/null
+++ b/Golden_Repo/p/ParaViewPlugin-Nek5000/ParaViewPlugin-Nek5000-20230208-gpsmkl-2022a.eb
@@ -0,0 +1,33 @@
+easyblock = 'CMakeMake'
+
+name = 'ParaViewPlugin-Nek5000'
+version = '20230208'
+
+homepage = "http://www.paraview.org"
+description = "Plugin for ParaView. Paraview is a scientific parallel visualizer."
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/jfavre/ParaViewNek5000Plugin/archive/']
+sources = ['bade61018d40d5ad83c1b64f3babaed2bdbe1986.tar.gz']
+checksums = ['c5ad5471299cce305adacfa2748026354628d2cc6b5321a48214a0461f2597ff']
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('ParaView', '5.11.0'),
+]
+
+separate_build_dir = True
+
+modextrapaths = {'PV_PLUGIN_PATH': './lib/paraview-5.11/plugins/pvNek5000Reader/'}
+
+sanity_check_paths = {
+ 'files': ['include/vtkNek5000Reader.h', 'lib/paraview-5.11/plugins/pvNek5000Reader/libNek5000Reader.so'],
+ 'dirs': ['include', 'lib', 'lib/paraview-5.11/plugins/pvNek5000Reader']
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/PyGObject/PyGObject-3.42.2-GCCcore-11.3.0.eb b/Golden_Repo/p/PyGObject/PyGObject-3.42.2-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..13599cb11e3011ec3519cb024cb354f1fc0009ea
--- /dev/null
+++ b/Golden_Repo/p/PyGObject/PyGObject-3.42.2-GCCcore-11.3.0.eb
@@ -0,0 +1,47 @@
+easyblock = 'PythonPackage'
+
+name = 'PyGObject'
+version = '3.42.2'
+
+homepage = 'https://pygobject.readthedocs.io'
+description = """PyGObject is a Python package which provides bindings for GObject based
+libraries such as GTK, GStreamer, WebKitGTK, GLib, GIO and many more.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+checksums = ['21524cef33100c8fd59dc135948b703d79d303e368ce71fa60521cc971cd8aa7']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('GLib', '2.72.1'),
+ ('GObject-Introspection', '1.72.0'),
+ ('PyCairo', '1.23.0'),
+ ('libffi', '3.4.2'),
+]
+
+use_pip = False
+sanity_pip_check = True
+download_dep_fail = True
+
+# install data (pkg-config and include files)
+installopts = '--root=/'
+
+sanity_check_paths = {
+ 'files': [
+ 'include/pygobject-%(version_major)s.0/pygobject.h',
+ 'lib/pkgconfig/pygobject-%(version_major)s.0.pc',
+ ],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages/gi'],
+}
+
+options = {'modulename': 'gi'}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/PyQuil/PyQuil-3.3.3-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/p/PyQuil/PyQuil-3.3.3-gcccoremkl-11.3.0-2022.1.0.eb
index cd1a2525d6964372e38a125f7fe2226c1f9a0146..e1dabd5fe957dd28672956148c8552147afbe8c2 100644
--- a/Golden_Repo/p/PyQuil/PyQuil-3.3.3-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/p/PyQuil/PyQuil-3.3.3-gcccoremkl-11.3.0-2022.1.0.eb
@@ -11,7 +11,8 @@ toolchainopts = {'pic': True}
dependencies = [
('Python', '3.10.4'),
- ('SciPy-Stack', '2022a'),
+ ('SciPy-bundle', '2022.05'),
+ ('IPython', '8.14.0'),
('networkx', '2.8.4'),
]
diff --git a/Golden_Repo/p/PySCF/PySCF-2.1.1-GCC-11.2.0.eb b/Golden_Repo/p/PySCF/PySCF-2.1.1-GCC-11.3.0.eb
similarity index 100%
rename from Golden_Repo/p/PySCF/PySCF-2.1.1-GCC-11.2.0.eb
rename to Golden_Repo/p/PySCF/PySCF-2.1.1-GCC-11.3.0.eb
diff --git a/Golden_Repo/p/PyTorch-Geometric/PyTorch-Geometric-2.1.0-foss-2022a-PyTorch-1.12.1-CUDA-11.7.eb b/Golden_Repo/p/PyTorch-Geometric/PyTorch-Geometric-2.1.0-foss-2022a-PyTorch-1.12.1-CUDA-11.7.eb
index b8e62b72cb44515f5918896c717ae2948aa54e8f..a0288203743b7ded763d805b5d3d0718a71d5521 100644
--- a/Golden_Repo/p/PyTorch-Geometric/PyTorch-Geometric-2.1.0-foss-2022a-PyTorch-1.12.1-CUDA-11.7.eb
+++ b/Golden_Repo/p/PyTorch-Geometric/PyTorch-Geometric-2.1.0-foss-2022a-PyTorch-1.12.1-CUDA-11.7.eb
@@ -1,5 +1,6 @@
easyblock = 'PythonBundle'
+
name = 'PyTorch-Geometric'
version = '2.1.0'
local_pytorchver = '1.12.0'
@@ -14,8 +15,8 @@ dependencies = [
('Python', '3.10.4'),
('CUDA', '11.7', '', SYSTEM),
('PyTorch', local_pytorchver, '-CUDA-%(cudaver)s'),
- ('scikit-learn', '1.1.2'),
- ('scikit-image', '0.19.3'),
+ ('scikit-learn', '1.1.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('scikit-image', '0.19.3', '', ('gcccoremkl', '11.3.0-2022.1.0')),
('numba', '0.56.4', '-CUDA-%(cudaver)s'),
('h5py', '3.7.0'),
('tqdm', '4.64.0'),
@@ -26,6 +27,11 @@ dependencies = [
use_pip = True
+# This easyblock NEED to be installed from a compute node with gpu,
+# see https://github.com/easybuilders/easybuild-easyconfigs/issues/18274
+# This here is needed, but not enough:
+preinstallopts = "FORCE_CUDA=1"
+
exts_list = [
('googledrivedownloader', '0.4', {
'modulename': 'google_drive_downloader',
diff --git a/Golden_Repo/p/PyTorch-Lightning/PyTorch-Lightning-1.8.2-foss-2022a-CUDA-11.7.eb b/Golden_Repo/p/PyTorch-Lightning/PyTorch-Lightning-1.8.2-foss-2022a-CUDA-11.7.eb
index 8f4749f4dae4ff3b9d774fe9be16e8fb52fd6d78..607b71f6b8d8f31cf4dc96eb021b966d3882c612 100644
--- a/Golden_Repo/p/PyTorch-Lightning/PyTorch-Lightning-1.8.2-foss-2022a-CUDA-11.7.eb
+++ b/Golden_Repo/p/PyTorch-Lightning/PyTorch-Lightning-1.8.2-foss-2022a-CUDA-11.7.eb
@@ -14,7 +14,7 @@ dependencies = [
('Python', '3.10.4'),
('PyTorch', '1.12.0', versionsuffix),
('tqdm', '4.64.0'),
- ('tensorboard', '2.10.0'),
+ ('tensorboard', '2.11.2'),
('typing-extensions', '4.3.0'),
]
diff --git a/Golden_Repo/p/Python-Neuroimaging/Python-Neuroimaging-2023-gcccoremkl-11.3.0-2022.1.0-Python-3.10.4.eb b/Golden_Repo/p/Python-Neuroimaging/Python-Neuroimaging-2023-gcccoremkl-11.3.0-2022.1.0-Python-3.10.4.eb
new file mode 100644
index 0000000000000000000000000000000000000000..fba275b4840d7c384c81d29aa0aea9c8a283889f
--- /dev/null
+++ b/Golden_Repo/p/Python-Neuroimaging/Python-Neuroimaging-2023-gcccoremkl-11.3.0-2022.1.0-Python-3.10.4.eb
@@ -0,0 +1,175 @@
+easyblock = 'Bundle'
+name = 'Python-Neuroimaging'
+version = '2023'
+versionsuffix = '-Python-%(pyver)s'
+
+homepage = ''
+description = """Python Neuroimaging is a collection of open source software for neuroimaging using Python."""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'pic': True}
+
+# This is a bundle of Python packages
+exts_defaultclass = 'PythonPackage'
+
+exts_default_options = {
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+ 'sanity_pip_check': True,
+ 'download_dep_fail': True,
+ 'use_pip_for_deps': False,
+}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('scikit-learn', '1.1.2'),
+ ('scikit-build', '0.15.0'),
+ ('scikit-image', '0.19.3'),
+ ('h5py', '3.7.0', '-serial'),
+ ('matplotlib', '3.5.2'),
+ ('PyOpenCL', '2022.2.4', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('Seaborn', '0.12.1'),
+ ('sympy', '1.11.1'),
+ ('tqdm', '4.64.0'),
+ ('xarray', '2022.9.0'),
+ ('RDFlib', '6.2.0'),
+ ('lxml', '4.9.1'),
+]
+
+# Needed to make sure that the sanity check of mdt works
+unwanted_env_vars = ['CUDA_VISIBLE_DEVICES']
+
+exts_default_options = {
+ 'download_dep_fail': True,
+ 'sanity_pip_check': True,
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+}
+
+exts_list = [
+ ('bz2file', '0.98', {
+ 'source_urls': ['https://pypi.python.org/packages/source/b/bz2file'],
+ 'checksums': ['64c1f811e31556ba9931953c8ec7b397488726c63e09a4c67004f43bdd28da88'],
+ }),
+ ('nibabel', '4.0.2', {
+ 'source_urls': ['https://pypi.python.org/packages/source/n/nibabel'],
+ 'checksums': ['45c49b5349351b45f6c045a91aa02b4f0d367686ff3284632ef95ac65b930786'],
+ 'skipsteps': ['sanitycheck'],
+ }),
+ ('dipy', '1.5.0', {
+ 'source_urls': ['https://pypi.python.org/packages/source/d/dipy'],
+ 'checksums': ['a19cf40166be09c5b7c31ab00b12fed136ae9531483a9cd7019cc3f3b95f6271'],
+ }),
+ ('nilearn', '0.9.2', {
+ 'source_urls': ['https://pypi.python.org/packages/source/n/nilearn'],
+ 'checksums': ['8da8d3835d92cd7b8a6cc92455a489d7e7f5994cf64fc71bce653e362773b9e4'],
+ }),
+ ('neurdflib', '5.0.1', {
+ 'source_urls': ['https://pypi.python.org/packages/source/n/neurdflib'],
+ 'checksums': ['d34493cee15029ff5db16157429585ff863ba5542675a4d8a94a0da1bc6e3a50'],
+ 'modulename': 'rdflib'
+ }),
+ ('etelemetry', '0.3.0', {
+ 'source_urls': ['https://pypi.python.org/packages/source/e/etelemetry'],
+ 'source_tmpl': '%(name)s-%(version)s-py3-none-any.whl',
+ 'unpack_sources': False,
+ 'checksums': ['78febd59a22eb53d052d731f10f24139eb2854fd237348fba683dd8616fb4a67'],
+ 'use_pip': True,
+ }),
+ ('ci-info', '0.3.0', {
+ 'source_urls': ['https://pypi.python.org/packages/source/c/ci_info'],
+ 'checksums': ['1fd50cbd401f29adffeeb18b0489e232d16ac1a7458ac6bc316deab6ae535fb0'],
+ 'modulename': 'ci_info'
+ }),
+ ('prov', '2.0.0', {
+ 'source_urls': ['https://pypi.python.org/packages/source/p/prov'],
+ 'checksums': ['b6438f2195ecb9f6e8279b58971e02bc51814599b5d5383366eef91d867422ee'],
+ }),
+ ('looseversion', '1.0.3', {
+ 'source_urls': ['https://pypi.python.org/packages/source/l/looseversion'],
+ 'checksums': ['035288860e1afe67d63ea9c700dd9d095c724e2e5722a39029dd91652d4316ed'],
+ }),
+ ('pydot', '1.4.2', {
+ 'source_urls': ['https://pypi.python.org/packages/source/p/pydot'],
+ 'checksums': ['248081a39bcb56784deb018977e428605c1c758f10897a339fce1dd728ff007d'],
+ }),
+ ('frozenlist', '1.3.3', {
+ 'source_urls': ['https://pypi.python.org/packages/source/f/frozenlist'],
+ 'checksums': ['58bcc55721e8a90b88332d6cd441261ebb22342e238296bb330968952fbb3a6a'],
+ }),
+ ('aiosignal', '1.3.1', {
+ 'source_urls': ['https://pypi.python.org/packages/source/a/aiosignal'],
+ 'checksums': ['54cd96e15e1649b75d6c87526a6ff0b6c1b0dd3459f43d9ca11d48c339b68cfc'],
+ }),
+ ('async-timeout', '4.0.2', {
+ 'source_urls': ['https://pypi.python.org/packages/source/a/async-timeout'],
+ 'checksums': ['2163e1640ddb52b7a8c80d0a67a08587e5d245cc9c553a74a847056bc2976b15'],
+ }),
+ ('ratelimit', '2.2.1', {
+ 'source_urls': ['https://pypi.python.org/packages/source/r/ratelimit'],
+ 'checksums': ['af8a9b64b821529aca09ebaf6d8d279100d766f19e90b5059ac6a718ca6dee42'],
+ }),
+ ('yarl', '1.8.2', {
+ 'source_urls': ['https://pypi.python.org/packages/source/y/yarl'],
+ 'checksums': ['49d43402c6e3013ad0978602bf6bf5328535c48d192304b91b97a3c6790b1562'],
+ }),
+ ('multidict', '6.0.4', {
+ 'source_urls': ['https://pypi.python.org/packages/source/m/multidict'],
+ 'checksums': ['3666906492efb76453c0e7b97f2cf459b0682e7402c0489a95484965dbc1da49'],
+ }),
+ ('aiohttp', '3.8.4', {
+ 'source_urls': ['https://pypi.python.org/packages/source/a/aiohttp'],
+ 'checksums': ['bf2e1a9162c1e441bf805a1fd166e249d574ca04e03b34f97e2928769e91ab5c'],
+ }),
+ ('argcomplete', '2.0.0', {
+ 'source_urls': ['https://pypi.python.org/packages/source/a/argcomplete'],
+ 'checksums': ['6372ad78c89d662035101418ae253668445b391755cfe94ea52f1b9d22425b20'],
+ }),
+ ('traits', '6.3.2', {
+ 'source_urls': ['https://pypi.python.org/packages/source/t/traits'],
+ 'checksums': ['4520ef4a675181f38be4a5bab1b1d5472691597fe2cfe4faf91023e89407e2c6'],
+ }),
+ ('nipype', '1.8.5', {
+ 'source_urls': ['https://pypi.python.org/packages/source/n/nipype'],
+ 'checksums': ['e3842743fb660464dd29de73dcfc9ef66d273be10bcc64059ff21cd5ef1e9655'],
+ }),
+ ('nipy', '0.5.0', {
+ 'source_urls': ['https://pypi.python.org/packages/source/n/nipy'],
+ 'checksums': ['a8a2c97ce854fece4aced5a6394b9fdca5846150ad6d2a36b86590924af3c848'],
+ }),
+ ('mne', '1.2.2', {
+ 'source_urls': ['https://pypi.python.org/packages/source/m/mne'],
+ 'checksums': ['d40743d6ca7ae3919a557166fd5fc4c00a9719e40c07346baad57964e15f02bb'],
+ }),
+ ('tatsu', '5.8.3', {
+ 'source_tmpl': 'TatSu-%(version)s.zip',
+ 'checksums': ['571ecbcdf33b7828c05e5cd95a8e8ad06af111c2c83a6a245be4d8f7c43de7bb'],
+ }),
+ ('mot', '0.11.4', {
+ 'source_urls': ['https://pypi.python.org/packages/source/m/mot'],
+ 'checksums': ['a665ddc190419409f4c46b80847728db8376703c56fe10c7ec2adb31f6a9cb04'],
+ # to disable the test, since it needs a working OpenCL installation, which is not always the case in the logins
+ 'modulename': 'os'
+ }),
+ ('mdt', '1.2.7', {
+ 'source_urls': ['https://pypi.python.org/packages/source/m/mdt'],
+ 'checksums': ['0fac9d86f30c473c81a909b47a32ea51eb489c78cc69595407ece888c91431d3'],
+ # to disable the test, since it needs a working OpenCL installation, which is not always the case in the logins
+ 'modulename': 'os'
+ }),
+ ('pysptools', '0.15.0', {
+ 'source_urls': ['https://pypi.python.org/packages/source/p/pysptools'],
+ 'checksums': ['923c4e1af97c490d7d9ad86d04fdf8918b63106023493e6a4cf54323e244b05e'],
+ 'modulename': 'pysptools.util'
+ }),
+]
+
+modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
+
+sanity_check_paths = {
+ 'files': [],
+ 'dirs': ['bin', 'lib/python%(pyshortver)s/site-packages', 'lib64/python%(pyshortver)s/site-packages'],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/p/Python/Python-3.10.4-GCCcore-11.3.0.eb b/Golden_Repo/p/Python/Python-3.10.4-GCCcore-11.3.0.eb
index 8b36fe930fc70f25b115a8a8781894d484e1ec4f..7cebb4fa69f716fc41ea4c845cd18a0c8f252648 100644
--- a/Golden_Repo/p/Python/Python-3.10.4-GCCcore-11.3.0.eb
+++ b/Golden_Repo/p/Python/Python-3.10.4-GCCcore-11.3.0.eb
@@ -99,14 +99,9 @@ exts_list = [
'modulename': 'arff',
'checksums': ['3220d0af6487c5aa71b47579be7ad1d94f3849ff1e224af3bf05ad49a0b5c4da'],
}),
- ('pycrypto', '2.6.1', {
+ ('pycryptodome', '3.17', {
'modulename': 'Crypto',
- 'patches': ['pycrypto-2.6.1_remove-usr-include.patch'],
- 'checksums': [
- 'f2ce1e989b272cfcb677616763e0a2e7ec659effa67a88aa92b3a65528f60a3c', # pycrypto-2.6.1.tar.gz
- # pycrypto-2.6.1_remove-usr-include.patch
- '06c3d3bb290305e1360a023ea03f9281116c230de62382e6be9474996086712e',
- ],
+ 'checksums': ['bce2e2d8e82fcf972005652371a3e8731956a0c1fbb719cc897943b3695ad91b'],
}),
('ecdsa', '0.17.0', {
'checksums': ['b9f500bb439e4153d0330610f5d26baaf18d17b8ced1bc54410d189385ea68aa'],
diff --git a/Golden_Repo/p/pscom/pscom-5.7.0-1-GCCcore-11.3.0.eb b/Golden_Repo/p/pscom/pscom-5.7.0-1-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..fc7d0cf03d78ed9a486125071d7bfe3c7902f2c7
--- /dev/null
+++ b/Golden_Repo/p/pscom/pscom-5.7.0-1-GCCcore-11.3.0.eb
@@ -0,0 +1,51 @@
+easyblock = 'CMakeMake'
+
+name = 'pscom'
+# Create drop-in replacement version that ensures overriding behaviour
+version = '5.7.0-1'
+local_realversion = version
+homepage = 'http://www.par-tec.com'
+description = f"""ParaStation is a robust and efficient cluster middleware, consisting of a high-performance
+communication layer (MPI) and a sophisticated management layer.
+
+The real version of this package is {local_realversion}
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://github.com/ParaStation/%(name)s/archive/']
+sources = ['%s.tar.gz' % local_realversion]
+checksums = ['5ee1c2cc1438a9c3cfa2e1521ff98860b98a753f574a3acc2eb6186656040fc3']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('popt', '1.18'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('UCX', 'default'),
+]
+
+build_type = 'RelWithDebInfo'
+
+preconfigopts = 'export UCP_LDFLAGS="-L$EBROOTUCX/lib" && '
+preconfigopts += 'export CUDA_LDFLAGS="-L$EBROOTNVIDIA/lib64" &&'
+
+configopts = '-DCUDA_ENABLED=ON'
+
+sanity_check_paths = {
+ 'files': [
+ 'include/%(name)s.h',
+ ('lib/libpscom.so', 'lib64/libpscom.so'),
+ ('lib/libpscom4ucp.so', 'lib64/libpscom4ucp.so'),
+ ],
+ 'dirs': [],
+}
+
+modextravars = {
+ 'PSCOMVERSION': '%s' % local_realversion,
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb b/Golden_Repo/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
index 0673d21762810ae538f1bcd39c7ebb7a8dbad1d2..debebd99c73a80f1987686ef239be3ae2e8a7634 100644
--- a/Golden_Repo/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
+++ b/Golden_Repo/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
@@ -2,7 +2,7 @@ name = 'psmpi'
version = '5.7.0-1'
homepage = 'https://github.com/ParaStation/psmpi2'
-description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
based on MPICH v3. It provides extra low level communication libraries and integration with
various batch systems for tighter process control.
"""
@@ -17,6 +17,8 @@ checksums = [
'978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
# psmpi-5.5.0-1_ime.patch
'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
]
dependencies = [
@@ -29,7 +31,8 @@ dependencies = [
patches = [
'psmpi_shebang.patch',
- 'psmpi-5.5.0-1_ime.patch'
+ 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
]
mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.7.0-1-NVHPC-22.11.eb b/Golden_Repo/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb
similarity index 83%
rename from Golden_Repo/p/psmpi/psmpi-5.7.0-1-NVHPC-22.11.eb
rename to Golden_Repo/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb
index 70c5404b67724cae1ef03be50ff593f2cbcec683..8dd9bcd9c76dfdf463dba6a6194410d91f2fde72 100644
--- a/Golden_Repo/p/psmpi/psmpi-5.7.0-1-NVHPC-22.11.eb
+++ b/Golden_Repo/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb
@@ -2,12 +2,12 @@ name = 'psmpi'
version = '5.7.0-1'
homepage = 'https://github.com/ParaStation/psmpi2'
-description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
based on MPICH v3. It provides extra low level communication libraries and integration with
various batch systems for tighter process control.
"""
-toolchain = {'name': 'NVHPC', 'version': '22.11'}
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
sources = [SOURCE_TAR_GZ]
source_urls = ['https://github.com/ParaStation/psmpi/archive/']
@@ -17,6 +17,8 @@ checksums = [
'978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
# psmpi-5.5.0-1_ime.patch
'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
]
dependencies = [
@@ -29,7 +31,8 @@ dependencies = [
patches = [
'psmpi_shebang.patch',
- 'psmpi-5.5.0-1_ime.patch'
+ 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
]
mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb b/Golden_Repo/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
index ba1eecdd475c808b2cdbe9d9653e597f2152c405..e9a133052d10aecda529944c5fe60f4f643da833 100644
--- a/Golden_Repo/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
+++ b/Golden_Repo/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
@@ -2,7 +2,7 @@ name = 'psmpi'
version = '5.7.0-1'
homepage = 'https://github.com/ParaStation/psmpi2'
-description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
based on MPICH v3. It provides extra low level communication libraries and integration with
various batch systems for tighter process control.
"""
@@ -17,6 +17,8 @@ checksums = [
'978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
# psmpi-5.5.0-1_ime.patch
'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
]
dependencies = [
@@ -29,7 +31,8 @@ dependencies = [
patches = [
'psmpi_shebang.patch',
- 'psmpi-5.5.0-1_ime.patch'
+ 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
]
mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.7.0-1_singleton-fix.patch b/Golden_Repo/p/psmpi/psmpi-5.7.0-1_singleton-fix.patch
new file mode 100644
index 0000000000000000000000000000000000000000..4643f36c3c5d1c98102c0e4b3bb37b67b8da4c02
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.7.0-1_singleton-fix.patch
@@ -0,0 +1,40 @@
+From 56ce43874fe1f97b2cc7cbd1a1a0b487432404f4 Mon Sep 17 00:00:00 2001
+From: Carsten Clauss <clauss@par-tec.com>
+Date: Thu, 22 Sep 2022 13:08:18 +0200
+Subject: [PATCH] init: Fix version check for the singleton case.
+
+In the singleton case, there is no need to check the version -- and
+moreover, there is no KVS available (and hence put/get functions for
+it must not be called) since no process manager connected.
+---
+ mpich2/src/mpid/psp/src/mpid_init.c | 10 ++++++++++
+ 1 file changed, 10 insertions(+)
+
+diff --git a/mpich2/src/mpid/psp/src/mpid_init.c b/mpich2/src/mpid/psp/src/mpid_init.c
+index 5654d5cb9..f31d301b4 100644
+--- a/mpich2/src/mpid/psp/src/mpid_init.c
++++ b/mpich2/src/mpid/psp/src/mpid_init.c
+@@ -245,6 +245,11 @@ static
+ int i_version_set(int pg_rank, const char *ver)
+ {
+ int mpi_errno = MPI_SUCCESS;
++
++ /* There is no need to check for version in the singleton case and we moreover must
++ not use MPIR_pmi_kvs_put() in this case either since there is no process manager. */
++ if (MPIDI_Process.singleton_but_no_pm) goto fn_exit;
++
+ if (pg_rank == 0) {
+ mpi_errno = MPIR_pmi_kvs_put("i_version", ver);
+ MPIR_ERR_CHECK(mpi_errno);
+@@ -262,6 +267,11 @@ static
+ int i_version_check(int pg_rank, const char *ver)
+ {
+ int mpi_errno = MPI_SUCCESS;
++
++ /* There is no need to check for version in the singleton case and we moreover must
++ not use MPIR_pmi_kvs_get() in this case either since there is no process manager. */
++ if (MPIDI_Process.singleton_but_no_pm) goto fn_exit;
++
+ if (pg_rank != 0) {
+ char val[100] = "unknown";
+ mpi_errno = MPIR_pmi_kvs_get(0, "i_version", val, sizeof(val));
diff --git a/Golden_Repo/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb b/Golden_Repo/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..482733003700cafd44d9d5cdb76e7e378c7ae4aa
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb
@@ -0,0 +1,47 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb b/Golden_Repo/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2c07243d7475dd30839c7c0b0aff4286f162b72a
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb
@@ -0,0 +1,47 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb b/Golden_Repo/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..11f887ac6c593826d7d9968e9b0a8762a8cc01da
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,47 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..3eb47585933c92d29a62a580a8e16d06881b5c84
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..78e233679f6cf47e24787cffdd953092cb75a567
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb
@@ -0,0 +1,42 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8f1563b731f4681d955cb018d686ba1b7909a0bd
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..acfba0132b18d8c4c0774707d059dd2aee1830bc
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb
@@ -0,0 +1,42 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..171314f94752c4437095357cf5dff4ada73f9a31
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..3ab1a0ef79fa549da4697d19d4c41a40bafafe4f
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,42 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..70f804c55c1bd5fafd5ea06a4d747130a6db624b
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6936bf35ac6d4cc1a915bfe729fdb7295482997f
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb
@@ -0,0 +1,42 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d1fa4481085579216ed08125fbbeb0345dcca4dd
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..29e5a42433f303f72dfa7844ea86f1e2aa3777dc
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb
@@ -0,0 +1,42 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..41daa4e50081c1b104fb6a50794a4be0e5f5381e
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..74b179c63e94a37e6fbd8a6e3b66e0e4bea15c21
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,42 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+ # psmpi-5.5.0-1_ime.patch
+ 'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi-5.5.0-1_ime.patch'
+]
+
+mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+
+preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/pulser/pulser-0.12.0-GCCcore-11.3.0.eb b/Golden_Repo/p/pulser/pulser-0.12.0-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6af36eb89f6010e9fd68a6acc6916acbd62ab8bd
--- /dev/null
+++ b/Golden_Repo/p/pulser/pulser-0.12.0-GCCcore-11.3.0.eb
@@ -0,0 +1,74 @@
+easyblock = 'PythonBundle'
+
+name = 'pulser'
+version = '0.12.0'
+
+homepage = 'https://github.com/pasqal-io/Pulser'
+description = """Pulser is a framework for composing, simulating and executing pulse
+ sequences for neutral-atom quantum devices."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Pillow-SIMD', '9.2.0'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')), # numpy
+ ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+]
+
+exts_default_options = {
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+ 'sanity_pip_check': True,
+ 'download_dep_fail': True,
+ 'use_pip_for_deps': False,
+}
+
+exts_list = [
+ ('contourpy', '1.0.7', {
+ 'checksums': ['d8165a088d31798b59e91117d1f5fc3df8168d8b48c4acc10fc0df0d0bdbcc5e'],
+ }),
+ ('types-cryptography', '3.3.23.2', {
+ 'checksums': ['09cc53f273dd4d8c29fa7ad11fefd9b734126d467960162397bc5e3e604dea75'],
+ 'modulename': 'cryptography',
+ }),
+ ('requests-mock', '1.9.3', {
+ 'checksums': ['8d72abe54546c1fc9696fa1516672f1031d72a55a1d66c85184f972a24ba0eba'],
+ }),
+ ('qutip', '4.7.1', {
+ 'checksums': ['9a87178e68b145c2145b526caa943ccc8400a111325ced45bd17f9b893663af2'],
+ }),
+ ('PyJWT', '2.6.0', {
+ 'modulename': 'jwt',
+ 'checksums': ['69285c7e31fc44f68a1feb309e948e0df53259d579295e6cfe2b1792329f05fd'],
+ }),
+ ('auth0_python', '3.24.1', {
+ 'modulename': 'auth0',
+ 'sources': ['%(name)s-%(version)s-py2.py3-none-any.whl'],
+ 'checksums': ['87dbf603c89fcebfd35f5ba29bc8a820af72a7d5a772f53752ae04d30f191712'],
+ }),
+ ('pasqal_cloud', '0.2.5', {
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['bac961acb67443c8e6c24321e68129188419e8980a10c0f1497a47525c0b0fde'],
+ }),
+ ('pulser_pasqal', version, {
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['4949f3ceef9a63bd05592733595faa437b8ef89a206e224414471e99f739561b'],
+ }),
+ ('pulser_core', version, {
+ 'modulename': 'pulser',
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['5c9715187edfdd8a29172c9efa69d6e89e0994001a9d783159f315422311a192'],
+ }),
+ ('pulser_simulation', version, {
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['1f56f4e345b8a37f8014637ed789b959cbb4aba41ab735effc31012e02462583'],
+ }),
+ (name, version, {
+ 'sources': ['%(name)s-%(version)s-py3-none-any.whl'],
+ 'checksums': ['dfd9870880ccd915b9a6ae4abaac17ecef757dc4b090a316b1068f94ef3d45fc'],
+ }),
+]
+
+
+moduleclass = 'quantum'
diff --git a/Golden_Repo/q/Qiskit-juqcs/Qiskit-juqcs-0.5.0-gpsmkl-2022a.eb b/Golden_Repo/q/Qiskit-juqcs/Qiskit-juqcs-0.5.0-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..7f567c04e8b5b1e73f4ab1872ec6f2cc4f61e9d4
--- /dev/null
+++ b/Golden_Repo/q/Qiskit-juqcs/Qiskit-juqcs-0.5.0-gpsmkl-2022a.eb
@@ -0,0 +1,39 @@
+easyblock = 'PythonBundle'
+
+name = 'Qiskit-juqcs'
+version = '0.5.0'
+
+homepage = 'https://jugit.fz-juelich.de/qip/juniq-platform/qiskit-juqcs/'
+description = """Qiskit provider for JUQCS (Juelich Universal Quantum Computer Simulator)."""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Qiskit', '0.41.0'),
+]
+
+exts_default_options = {
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+ 'sanity_pip_check': True,
+ 'download_dep_fail': True,
+ 'use_pip_for_deps': False,
+}
+
+exts_list = [
+ ('PyJWT', '2.6.0', {
+ 'modulename': 'jwt',
+ 'checksums': ['69285c7e31fc44f68a1feb309e948e0df53259d579295e6cfe2b1792329f05fd'],
+ }),
+ ('pyunicore', '0.14.1', {
+ 'checksums': ['7efd4784d55ef02c4da4431232b54505814666577165c0f320c922ed2b32af01'],
+ }),
+ ('qiskit-juqcs', version, {
+ 'modulename': False,
+ 'checksums': ['6d8800986d5924e2e07635a315d15bfbc48297649604c83a4ec282ea7d6ba737'],
+ }),
+]
+
+moduleclass = 'quantum'
diff --git a/Golden_Repo/q/Qiskit/Qiskit-0.41.0-gpsmkl-2022a.eb b/Golden_Repo/q/Qiskit/Qiskit-0.41.0-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8fb211f6d8647cb381f664b98377e0c9caff0716
--- /dev/null
+++ b/Golden_Repo/q/Qiskit/Qiskit-0.41.0-gpsmkl-2022a.eb
@@ -0,0 +1,159 @@
+easyblock = 'PythonBundle'
+
+name = 'Qiskit'
+version = '0.41.0'
+
+homepage = 'https://qiskit.org'
+description = """Qiskit is an open-source framework for working with noisy quantum computers
+ at the level of pulses, circuits, and algorithms."""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1'),
+ ('Ninja', '1.10.2'),
+ ('pkgconf', '1.8.0'),
+ ('pybind11', '2.9.2'), # for aer
+ ('Rust', '1.60.0'), # for retworkx
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('lxml', '4.9.1'),
+ ('sympy', '1.11.1', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('dill', '0.3.6'),
+ ('scikit-build', '0.15.0'), # for aer
+ ('scikit-learn', '1.1.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('CVXOPT', '1.3.0'),
+ ('h5py', '3.7.0'),
+ ('PySCF', '2.1.1'),
+ ('SymEngine-python', '0.9.2', '', ('GCC', '11.3.0')),
+ ('numba', '0.56.4', '-CUDA-11.7', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('nlohmann_json', '3.10.5'), # for qiskit-aer
+ ('spdlog', '1.11.0'),
+ ('muparserx', '4.0.11'), # for qiskit-aer
+ ('networkx', '2.8.4', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+]
+
+local_common_opts = {
+ 'req_py_majver': '3',
+ 'req_py_minver': '0'
+}
+
+# qiskit-aer must not use CONAN to install dependencies
+modextravars = {'DISABLE_CONAN': 'YES'}
+
+exts_default_options = {
+ 'source_urls': [PYPI_SOURCE],
+ 'use_pip': True,
+ # DISABLED: because 'pip check' does not find pyscf (not installed with pip)
+ 'sanity_pip_check': True,
+ 'download_dep_fail': True,
+ 'use_pip_for_deps': False,
+}
+
+exts_list = [
+ ('dill', '0.3.5.1', {
+ 'checksums': ['d75e41f3eff1eee599d738e76ba8f4ad98ea229db8b085318aa2b3333a208c86'],
+ }),
+ ('ntlm-auth', '1.5.0', {
+ 'checksums': ['c9667d361dc09f6b3750283d503c689070ff7d89f2f6ff0d38088d5436ff8543'],
+ }),
+ ('retworkx', '0.11.0', {
+ 'checksums': ['a4c2a5ad3f8402493d41ad20ad91a03777ea214a3636c290272bbfaf36161161'],
+ }),
+ ('stevedore', '4.1.1', {
+ 'checksums': ['7f8aeb6e3f90f96832c301bff21a7eb5eefbe894c88c506483d355565d88cc1a'],
+ }),
+ ('rustworkx', '0.12.1', {
+ 'checksums': ['13a19a2f64dff086b3bffffb294c4630100ecbc13634b4995d9d36a481ae130e'],
+ }),
+ ('websockets', '10.4', {
+ 'checksums': ['eef610b23933c54d5d921c92578ae5f89813438fded840c2e9809d378dc765d3'],
+ }),
+ ('websocket-client', '1.3.3', {
+ 'modulename': False,
+ 'checksums': ['d58c5f284d6a9bf8379dab423259fe8f85b70d5fa5d2916d5791a84594b122b1'],
+ }),
+ ('requests_ntlm', '1.1.0', {
+ 'checksums': ['9189c92e8c61ae91402a64b972c4802b2457ce6a799d658256ebf084d5c7eb71'],
+ }),
+ ('fastdtw', '0.3.4', {
+ 'checksums': ['2350fa6ec36bcad186eaf81f46eff35181baf04e324f522de8aeb43d0243f64f'],
+ }),
+ ('inflection', '0.5.1', {
+ 'checksums': ['1a29730d366e996aaacffb2f1f1cb9593dc38e2ddd30c91250c6dde09ea9b417'],
+ }),
+ ('soupsieve', '2.3.1', {
+ 'checksums': ['b8d49b1cd4f037c7082a9683dfa1801aa2597fb11c3a1155b7a5b94829b4f1f9'],
+ }),
+ ('beautifulsoup4', '4.11.1', {
+ 'modulename': 'bs4',
+ 'checksums': ['ad9aa55b65ef2808eb405f46cf74df7fcb7044d5cbc26487f96eb2ef2e436693'],
+ }),
+ ('pytz', '2022.7.1', {
+ 'checksums': ['01a0681c4b9684a28304615eba55d1ab31ae00bf68ec157ec3708a8182dbbcd0'],
+ }),
+ ('multitasking', '0.0.11', {
+ 'checksums': ['4d6bc3cc65f9b2dca72fb5a787850a88dae8f620c2b36ae9b55248e51bcd6026'],
+ }),
+ ('frozendict', '2.3.4', {
+ 'checksums': ['15b4b18346259392b0d27598f240e9390fafbff882137a9c48a1e0104fb17f78'],
+ }),
+ ('Nasdaq_Data_Link', '1.0.4', {
+ 'modulename': False,
+ 'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl',
+ 'checksums': ['214a620551da1c7521476839fb96f932234d4d78e7ba44310722709ca37b0691'],
+ }),
+ ('docplex', '2.25.236', {
+ 'checksums': ['256914b4c0113a4e1c78f32ea20c7d76dc8efe286fe890270e75cfad50fe510f'],
+ }),
+ ('yfinance', '0.2.9', {
+ 'checksums': ['449f9d54ff7868bdbb2d25b628a97d21fdd05e293a0f9975bba7aaa9984d08e6'],
+ }),
+ ('qiskit-nature', '0.5.2', {
+ 'modulename': 'qiskit_nature',
+ 'checksums': ['1786e1e825c450ae0ae4971246b0ca717bc5285696c3d342313f5cb125ce4202'],
+ }),
+ ('qiskit-optimization', '0.5.0', {
+ 'modulename': 'qiskit_optimization',
+ 'checksums': ['4804831e590a7159c2bd2be71750cde0c95a3b06e14a4843346e2ebcc7231e01'],
+ }),
+ ('qiskit-finance', '0.3.4', {
+ 'modulename': 'qiskit_finance',
+ 'checksums': ['b22fc7e0f23837ee659d1dbe974f3d69ec0d291e51486a2ad81dcf17b4ad8a4f'],
+ }),
+ ('qiskit-machine-learning', '0.5.0', {
+ 'modulename': 'qiskit_machine_learning',
+ 'checksums': ['c332e9d3ea658b2d24b401e5264b239f1093378952a70ba46c73a69a3ce7c727'],
+ }),
+ ('qiskit-terra', '0.23.1', {
+ 'modulename': 'qiskit.qobj',
+ 'patches': ['qiskit-terra-0.18.3_fix-qiskit-version-env.patch'],
+ 'checksums': [
+ {'qiskit-terra-0.23.1.tar.gz': '71dfb4510b2f1fdb7589b412e8304d928534fa2eece66a65b3f841baf5412afb'},
+ {'qiskit-terra-0.18.3_fix-qiskit-version-env.patch':
+ '1296cc650a7d4d2d908a6a5de6b4ce52106748464a54d47744a4648494f4c24e'},
+ ],
+ }),
+ ('qiskit-ignis', '0.7.1', {
+ 'modulename': 'qiskit.ignis',
+ 'checksums': ['71efb17933717c0b8161a291ebd4f8d4fe8d7dfd1fdc66fa23a0b6d14fd10cf3'],
+ }),
+ ('qiskit-aer', '0.11.2', {
+ 'modulename': 'qiskit.providers.aer',
+ 'checksums': ['1bc1d3b46f7fc8976084a900cb9a2a80e8b25df6e59a88fd11136f24e1297fc1'],
+ }),
+ ('qiskit-ibmq-provider', '0.20.0', {
+ 'modulename': 'qiskit.providers.ibmq',
+ 'checksums': ['758938ce13a09f53ada9f4852891d7ca7ba98fddab6b9850417bbcb0efc26c2e'],
+ }),
+ ('qiskit', version, {
+ 'checksums': ['fa613d0312061a654b9b69e21374bac2dc04bb6df872b52370975d6dd51d7d81'],
+ }),
+]
+
+moduleclass = 'quantum'
diff --git a/Golden_Repo/r/R/HWxtest-1.1.9_add-fcommon.patch b/Golden_Repo/r/R/HWxtest-1.1.9_add-fcommon.patch
new file mode 100644
index 0000000000000000000000000000000000000000..a4e41eea63ece68f9bb90d4ff46e89ccece46bff
--- /dev/null
+++ b/Golden_Repo/r/R/HWxtest-1.1.9_add-fcommon.patch
@@ -0,0 +1,21 @@
+fix "multiple definition" errors by adding -fcommon compiler options,
+see https://www.gnu.org/software/gcc/gcc-10/porting_to.html
+
+author: Kenneth Hoste (HPC-UGent)
+
+diff -ruN HWxtest.orig/MD5 HWxtest/MD5
+--- HWxtest.orig/MD5 2020-11-08 21:15:03.612622261 +0100
++++ HWxtest/MD5 2020-11-08 21:13:24.278691443 +0100
+@@ -40,6 +40,7 @@
+ 4657a2011dc5363ed1cfd1d29a7040d5 *src/HWmtest.c
+ 08ec52ea231752fbb2bb11a529107806 *src/HWxcount.c
+ 23598383650c211dd18d54bded68b9bd *src/HWxtest.c
++8b6d9aec8b8cef60d1b245e0f290bfed *src/Makevars
+ 886a6d855fb0b59e565b919a1ff69eb0 *vignettes/HWxtest.Rmd
+ fcf857c5f98963f740c5c2f95e33ccc9 *vignettes/HWxtest.md
+ b93f768037a75ec9edd60ca89fd4c1db *vignettes/bibHW.txt
+diff -ruN HWxtest.orig/src/Makevars HWxtest/src/Makevars
+--- HWxtest.orig/src/Makevars 1970-01-01 01:00:00.000000000 +0100
++++ HWxtest/src/Makevars 2020-11-08 21:15:51.340615023 +0100
+@@ -0,0 +1 @@
++PKG_CFLAGS = -fcommon
diff --git a/Golden_Repo/r/R/R-4.2.1-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/r/R/R-4.2.1-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..741b738e38f2e6fd25a3c8fdc232ea1519f7cd26
--- /dev/null
+++ b/Golden_Repo/r/R/R-4.2.1-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,3355 @@
+name = 'R'
+version = '4.2.1'
+
+homepage = 'https://www.r-project.org/'
+description = """R is a free software environment for statistical computing
+ and graphics."""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+
+source_urls = ['https://cloud.r-project.org/src/base/R-%(version_major)s']
+sources = [SOURCE_TAR_GZ]
+checksums = ['4d52db486d27848e54613d4ee977ad952ec08ce17807e1b525b10cd4436c643f']
+
+builddependencies = [
+ ('pkgconf', '1.8.0'),
+ ('Autotools', '20220317'),
+ ('binutils', '2.38'),
+ ('texlive', '20220321'),
+ ('XServer', '21.1.6'),
+]
+dependencies = [
+ ('X11', '20220504'),
+ ('OpenGL', '2022a'),
+ ('cairo', '1.17.4'),
+ ('libreadline', '8.1.2'),
+ ('ncurses', '6.3'),
+ ('bzip2', '1.0.8'),
+ ('XZ', '5.2.5'),
+ ('zlib', '1.2.12'),
+ ('SQLite', '3.38.3'),
+ ('PCRE2', '10.40'),
+ ('libpng', '1.6.37'), # for plotting in R
+ ('libjpeg-turbo', '2.1.3'), # for plottting in R
+ ('LibTIFF', '4.3.0'),
+ ('Java', '11', '', SYSTEM),
+ ('Tk', '8.6.12'), # for tcltk
+ ('cURL', '7.83.0'), # for RCurl
+ ('libxml2', '2.9.13'), # for XML
+ ('GMP', '6.2.1'), # for igraph
+ ('NLopt', '2.7.1'), # for nloptr
+ ('FFTW', '3.3.10'), # for fftw
+ ('libsndfile', '1.1.0'), # for seewave
+ ('ICU', '71.1'), # for rJava & gdsfmt
+ ('HDF5', '1.12.2', '-serial'), # for hdf5r
+ ('UDUNITS', '2.2.28'), # for units
+ ('GSL', '2.7'), # for RcppGSL
+ ('ImageMagick', '7.1.0-37'), # for animation
+ ('GLPK', '5.0'), # for Rglpk
+ ('nodejs', '16.15.1'), # for V8 (required by rstan)
+ ('GDAL', '3.5.0'), # for sf
+ ('MPFR', '4.1.0'), # for Rmpfr
+ ('libgit2', '1.4.3'),
+ ('OpenSSL', '1.1', '', SYSTEM),
+]
+
+# Some R extensions (mclust, quantreg, waveslim for example) require the math library (-lm) to avoid undefined symbols.
+# Adding it to FLIBS makes sure it is present when needed.
+preconfigopts = 'export FLIBS="$FLIBS -lm" && '
+
+configopts = "--with-pic --enable-threads --enable-R-shlib"
+# some recommended packages may fail in a parallel build (e.g. Matrix), and
+# we're installing them anyway below
+configopts += " --with-recommended-packages=no"
+
+# specify that at least EasyBuild v3.5.0 is required,
+# since we rely on the updated easyblock for R to configure correctly w.r.t. BLAS/LAPACK
+easybuild_version = '3.5.0'
+
+exts_default_options = {
+ 'source_urls': [
+ 'https://cran.r-project.org/src/contrib/Archive/%(name)s', # package archive
+ 'https://cran.r-project.org/src/contrib/', # current version of packages
+ 'https://cran.freestatistics.org/src/contrib', # mirror alternative for current packages
+ ],
+ 'source_tmpl': '%(name)s_%(version)s.tar.gz',
+}
+
+# !! order of packages is important !!
+# packages updated on 23rd June 2022
+exts_list = [
+ 'base',
+ 'compiler',
+ 'datasets',
+ 'graphics',
+ 'grDevices',
+ 'grid',
+ 'methods',
+ 'parallel',
+ 'splines',
+ 'stats',
+ 'stats4',
+ 'tcltk',
+ 'tools',
+ 'utils',
+ ('abind', '1.4-5', {
+ 'checksums': ['3a3ace5afbcb86e56889efcebf3bf5c3bb042a282ba7cc4412d450bb246a3f2c'],
+ }),
+ ('magic', '1.6-0', {
+ 'checksums': ['4516d48c9618e3f395db873e886f5deb3b66b32ebe10d4c26c1420ac848acbbf'],
+ }),
+ ('Rcpp', '1.0.8.3', {
+ 'checksums': ['9da5b84cdaf56e972b41e669d496b1ece2e91bcd435505c68b9f2bd98375f8bf'],
+ }),
+ ('RcppProgress', '0.4.2', {
+ 'checksums': ['b1624b21b7aeb1dafb30f092b2a4bef4c3504efd2d6b00b2cdf55dc9df194b48'],
+ }),
+ ('lpSolve', '5.6.15', {
+ 'checksums': ['4627be4178abad34fc85a7d264c2eb5e27506f007e46687b0b8a4f8fbdf4f3ba'],
+ }),
+ ('linprog', '0.9-4', {
+ 'checksums': ['81a6aa2fdc075f12dc912794d0554f87705a8b872b99c89a90a69ee9ada864b4'],
+ }),
+ ('geometry', '0.4.6', {
+ 'checksums': ['910465a8c8043faca73bcc7c81c9249b9938677ee6649468003b438a6503f5d8'],
+ }),
+ ('bit', '4.0.4', {
+ 'checksums': ['e404841fbe4ebefe4ecd4392effe673a8c9fa05f97952c4ce6e2f6159bd2f168'],
+ }),
+ ('filehash', '2.4-3', {
+ 'checksums': ['f394e2c93233e8ad1c104562ea9349855dc8e303131f559cd59834f9aa3e41bd'],
+ }),
+ ('ff', '4.0.7', {
+ 'checksums': ['0a47333d31c7afc3f95387166e21a3e4c763cbef47d9b5927753aef4ff8d83fa'],
+ }),
+ ('bnlearn', '4.7.1', {
+ 'checksums': ['243930daa7f71c63fe1aa6717e5d55a116a597b83e08745cbcbe9a418d7c1509'],
+ }),
+ ('bootstrap', '2019.6', {
+ 'checksums': ['5252fdfeb944cf1fae35016d35f9333b1bd1fc8c6d4a14e33901160e21968694'],
+ }),
+ ('combinat', '0.0-8', {
+ 'checksums': ['1513cf6b6ed74865bfdd9f8ca58feae12b62f38965d1a32c6130bef810ca30c1'],
+ }),
+ ('deal', '1.2-39', {
+ 'checksums': ['a349db8f1c86cbd8315c068da49314ce9eb585dbb50d2e5ff09300506bd8806b'],
+ }),
+ ('fdrtool', '1.2.17', {
+ 'checksums': ['3452601adbead9be4820794e3af2666f710fdf9b801186df565b80b43629c5dd'],
+ }),
+ ('formatR', '1.12', {
+ 'checksums': ['8b52efbf43cbef25d837bb99a793a590c0958b753052c032b52304724e808c8b'],
+ }),
+ ('gtools', '3.9.2.2', {
+ 'checksums': ['352086375d06cc55becfe8b8d65953645249661a44881cad83c7f79d7280d843'],
+ }),
+ ('gdata', '2.18.0.1', {
+ 'checksums': ['5e2f3d5b9398d52a4c07a4d35f5f936450a44567c7db8d8f68b4cc6946e032d9'],
+ }),
+ ('GSA', '1.03.2', {
+ 'checksums': ['177d6059fc645d3d8883806d2dea1c5dfc68efdada9aadde8a96b6d57acf35b8'],
+ }),
+ ('xfun', '0.31', {
+ 'checksums': ['d169f3e682dab0c3f2ca381f2dba9b7014a5e2ca3d6863dbae3d1bca699ef235'],
+ }),
+ ('highr', '0.9', {
+ 'checksums': ['beff11390d936c90fdcc00e7ed0eb72220f3de403a51b56659e3d3e0b6d8ed4d'],
+ }),
+ ('infotheo', '1.2.0.1', {
+ 'checksums': ['c0fb8ec97ad3a49f231c4c993b5eee70c6a61c8c30dc4a46197867e4763a29d4'],
+ }),
+ ('lars', '1.3', {
+ 'checksums': ['c69e6a8da6a3344c0915dd1fd4c78fec5cdf50c62cf6297476e9bb7dc10b549d'],
+ }),
+ ('lazy', '1.2-17', {
+ 'checksums': ['27bf1216ac6220712fe7e86c0a288b7d7118f9088989f67e0a86b3d0f99c3370'],
+ }),
+ ('kernlab', '0.9-31', {
+ 'checksums': ['7359c665c1c5e6780e1ce44b143347c8eec839301c3079d7f19e29159873278a'],
+ }),
+ ('mime', '0.12', {
+ 'checksums': ['a9001051d6c1e556e881910b1816b42872a1ee41ab76d0040ce66a27135e3849'],
+ }),
+ ('markdown', '1.1', {
+ 'checksums': ['8d8cd47472a37362e615dbb8865c3780d7b7db694d59050e19312f126e5efc1b'],
+ }),
+ ('mlbench', '2.1-3', {
+ 'checksums': ['b1f92be633243185ab86e880a1e1ac5a4dd3c535d01ebd187a4872d0a8c6f194'],
+ }),
+ ('NLP', '0.2-1', {
+ 'checksums': ['05eaa453ad2757311c073fd30093c738b20a977c5089031eb454345a1d01f2b6'],
+ }),
+ ('mclust', '5.4.10', {
+ 'checksums': ['2a1bbbf3c4a17df08d1ba8bc4d3c6d9c7241ed5fd68b8aabe660115597b60672'],
+ }),
+ ('RANN', '2.6.1', {
+ 'checksums': ['b299c3dfb7be17aa41e66eff5674fddd2992fb6dd3b10bc59ffbf0c401697182'],
+ }),
+ ('rmeta', '3.0', {
+ 'checksums': ['b9f9d405935cffcd7a5697ff13b033f9725de45f4dc7b059fd68a7536eb76b6e'],
+ }),
+ ('MASS', '7.3-57', {
+ 'checksums': ['bd8b880105bc1aadb2db699086f74bd92a8611287979a24243187f9d80795a8d'],
+ }),
+ ('lattice', '0.20-45', {
+ 'checksums': ['22388d92bdb7d3959da84d7308d9026dd8226ef07580783729e8ad2f7d7507ad'],
+ }),
+ ('nlme', '3.1-158', {
+ 'checksums': ['a55bb401c2ba2706763d1f40283780699eb812b0d090b3d1903fae8aa956bf23'],
+ }),
+ ('segmented', '1.6-0', {
+ 'checksums': ['6baf7f0a4f5d37b945312d28fcbca47cc3c171d097c43a28cf7ffc998a4ce569'],
+ }),
+ ('som', '0.3-5.1', {
+ 'checksums': ['a6f4c0e5b36656b7a8ea144b057e3d7642a8b71972da387a7133f3dd65507fb9'],
+ }),
+ ('SuppDists', '1.1-9.7', {
+ 'checksums': ['6b5527e2635c0ff762eb7af8154704c85e66d7f79a9524089a5c98dfa94dab08'],
+ }),
+ ('stabledist', '0.7-1', {
+ 'checksums': ['06c5704d3a3c179fa389675c537c39a006867bc6e4f23dd7e406476ed2c88a69'],
+ }),
+ ('survivalROC', '1.0.3', {
+ 'checksums': ['1449e7038e048e6ad4d3f7767983c0873c9c7a7637ffa03a4cc7f0e25c31cd72'],
+ }),
+ ('pspline', '1.0-19', {
+ 'checksums': ['ba55bf193f1df9785a0e13b7ef727d5fd2415b318cd6a26b48a2db490c4dfe40'],
+ }),
+ ('timeDate', '3043.102', {
+ 'checksums': ['377cba03cddab8c6992e31d0683c1db3a73afa9834eee3e95b3b0723f02d7473'],
+ }),
+ ('longmemo', '1.1-2', {
+ 'checksums': ['7964e982287427dd58f98e1144e468ae0cbd572d25a4bea6ca9ae9c7522f3207'],
+ }),
+ ('ADGofTest', '0.3', {
+ 'checksums': ['9cd9313954f6ecd82480d373f6c5371ca84ab33e3f5c39d972d35cfcf1096846'],
+ }),
+ ('pixmap', '0.4-12', {
+ 'checksums': ['893ba894d4348ba05e6edf9c1b4fd201191816b444a214f7a6b2c0a79b0a2aec'],
+ }),
+ ('sp', '1.5-0', {
+ 'checksums': ['939a06adf78ec8de7a663d6ca5bba426780852b357773446b00cc298200ff81c'],
+ }),
+ ('pkgconfig', '2.0.3', {
+ 'checksums': ['330fef440ffeb842a7dcfffc8303743f1feae83e8d6131078b5a44ff11bc3850'],
+ }),
+ ('rlang', '1.0.2', {
+ 'checksums': ['8de87c3e6fb0b3cce2dabc6908186f8e1528cc0c16b54de965fe02d405fdd7cc'],
+ }),
+ ('ellipsis', '0.3.2', {
+ 'checksums': ['a90266e5eb59c7f419774d5c6d6bd5e09701a26c9218c5933c9bce6765aa1558'],
+ }),
+ ('digest', '0.6.29', {
+ 'checksums': ['792c1f14a4c8047745152f5e45ce7351978af8d770c29d2ea39c7acd5d619cd9'],
+ }),
+ ('glue', '1.6.2', {
+ 'checksums': ['9da518f12be584c90e75fe8e07f711ee3f6fc0d03d817f72c25dc0f66499fdbf'],
+ }),
+ ('cli', '3.3.0', {
+ 'checksums': ['c3a9ebbcb9017fb9aeda4f7df5ca981e42b169cbd7ce13e592cda2cd74250d63'],
+ }),
+ ('vctrs', '0.4.1', {
+ 'checksums': ['9676881e009aa1217818f326338e8b35dd9a9438918f8b1ac249f4c8afe460dd'],
+ }),
+ ('lifecycle', '1.0.1', {
+ 'checksums': ['1da76e1c00f1be96ca34e122ae611259430bf99d6a1b999fdef70c00c30f7ba0'],
+ }),
+ ('hms', '1.1.1', {
+ 'checksums': ['6b5f30db1845c70d27b5de33f31caa487cdd0787cd80a4073375e5f482269062'],
+ }),
+ ('prettyunits', '1.1.1', {
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+ 'checksums': ['f127f7fe8b19c899ecfdf98bf69d2e18926afb593a72fc40097acca66d401607'],
+ }),
+ ('VineCopula', '2.4.4', {
+ 'checksums': ['8449b1181fd7f325a2f0539cdaa4a4ff895c41424f462f52258729436078c90a'],
+ }),
+ ('Rmpfr', '0.8-9', {
+ 'checksums': ['cfee5ab47d49c6433c372a267f7d849c8f7c61a84e00d08afb047eaafcdbbc8a'],
+ }),
+ ('scam', '1.2-12', {
+ 'checksums': ['0ce5f844221370884719424eb5b2b22c34a8a8ad64eac3de981e5539b6e88f4a'],
+ }),
+ ('copula', '1.1-0', {
+ 'checksums': ['9ab76e6256534db2a18d3880143b8c67e385767010de861bbde25212aa75d924'],
+ }),
+ ('evd', '2.3-6', {
+ 'checksums': ['8edb8bc4f06d246c4343fd923bb5d5df99724d6db8821bfd996220343a834cb6'],
+ }),
+ ('ismev', '1.42', {
+ 'checksums': ['0d57fbeca83bd478e84fcff795967d51d8448c629abe7adc6c4c18c7fb8bf1a5'],
+ }),
+ ('GJRM', '0.2-6', {
+ 'checksums': ['f8abe1900a83892a9ee96bc62cdb1a42fabf8ba66eed60e44f59bd203b5f6779'],
+ }),
+ ('penfa', '0.1.1', {
+ 'checksums': ['a22a8ac3d4a040c77e50ddc92328c1989eae536d79fe56013e9372ba27c114e5'],
+ }),
+ ('rngWELL', '0.10-7', {
+ 'checksums': ['0c00c54e69d7d552cfa08d766e4854c01c6c1c8e2c558f387760b91a55ef2d38'],
+ }),
+ ('randtoolbox', '2.0.1', {
+ 'checksums': ['c4f28963fe5dbc821427691527a204aa6e08ab40bf00337f220cc60b81d552dc'],
+ }),
+ ('kde1d', '1.0.4', {
+ 'checksums': ['124eb2e427e08fd24ca37e0baa697736601785d6c6fb1c97c2ebcc5146bb4556'],
+ }),
+ ('RcppThread', '2.1.3', {
+ 'checksums': ['127e3d333dd412334d89d633e92f40135f65d68c91b7945fa63ce0e35abcf946'],
+ }),
+ ('wdm', '0.2.3', {
+ 'checksums': ['5f0184f6f0f9e9b8c47fb571e4d34dff309644a50afe5f18e42b9c37f52c593b'],
+ }),
+ ('rvinecopulib', '0.6.1.1.3', {
+ 'checksums': ['212189441b4cd2383e485c2aa410837456ba70357834f443c9275e4775b8bf22'],
+ }),
+ ('PearsonDS', '1.2.2', {
+ 'checksums': ['443a0619b824332ba5e50733a2aaf2913230925a64960a9f589ae368bcba3dc8'],
+ }),
+ ('covsim', '1.0.0', {
+ 'checksums': ['3788e91ee7f7fd44b290feb22185637493e8301a64f9511ca80e1ed361c3f44f'],
+ }),
+ ('semTools', '0.5-6', {
+ 'checksums': ['f522ce3c02ac580ad49af7a7278141dae39fdfaeccc7d1379faf1266ce9fcaf2'],
+ }),
+ ('GPArotation', '2022.4-1', {
+ 'checksums': ['231e7edcdcc091fbecfb4f2e88d1a4344967cf7ea58074b385a4b8b48d9da224'],
+ }),
+ ('dcurver', '0.9.2', {
+ 'checksums': ['cc6c55090d3607910515981ea0c7221e40e7a29e0da0c5a5f42c3847012290ec'],
+ }),
+ ('mirt', '1.36.1', {
+ 'checksums': ['5215a0f4eb5949a3985a84a7d4776d4dd7471973a980c1d158ce82b3bde185bb'],
+ }),
+ ('rpf', '1.0.11', {
+ 'checksums': ['e1fd670ae7c3e947db08ce50d6b16ce1b3b8f63a9016b03baba760aee78921fb'],
+ }),
+ ('OpenMx', '2.20.6', {
+ 'checksums': ['65c50ce09f9c006b41b7311ec05eba3ae77926d84fb44e3905905208404826ed'],
+ }),
+ ('matlab', '1.0.4', {
+ 'checksums': ['1988a2220703444a575f2bad4eb090a0da71478599eb53081dd7237b7ec216ea'],
+ }),
+ ('FactorCopula', '0.8', {
+ 'checksums': ['d95b0ccd1b0eebcf27a90286e9392f662b878a669c693fbbb4145798045134ff'],
+ }),
+ ('rpact', '3.3.0', {
+ 'checksums': ['a568bb04b4dcecf163024269042124a4d75c5431edbf06776515aa524506f11c'],
+ }),
+ ('ldbounds', '2.0.0', {
+ 'checksums': ['d4279d5f9952643f9051cf37eeb8441fff7ac050a49ef6363a9f5cbc8287a26a'],
+ }),
+ ('catlearn', '0.9.1', {
+ 'checksums': ['c6c492f5cc6a9ec6fdbd3721dd64a4bb2e146152d64eeeab4db3d0575bd2f650'],
+ }),
+ ('MetaUtility', '2.1.2', {
+ 'checksums': ['e38c21588c239aa8926e64d916aa0f3b04108c2992f0e801095e4c7920b9ad5d'],
+ }),
+ ('EValue', '4.1.3', {
+ 'checksums': ['52a8d4df8ddc80eddf7c2f6684ed6f0fd71f3bd1bfc096ed07cfe875a367e446'],
+ }),
+ ('dagitty', '0.3-1', {
+ 'checksums': ['7d44b5d259ec3fef776a7e3fcb21d1c379f930d6ae9ae5fbfff54494ad78e8a8'],
+ }),
+ ('ggdag', '0.2.4', {
+ 'checksums': ['372ec4ef0ded9637304a19b50bce908e84a034e54dbd2a52a061bb747b2b08a0'],
+ }),
+ ('simex', '1.8', {
+ 'checksums': ['80c7841196b9377a9367eb6960ad80ca0bf8de511b8b18a0031bfbe7bde289a0'],
+ }),
+ ('hash', '2.2.6.2', {
+ 'checksums': ['75a3a64014d2a99f08d12594d14fdade136f278abcf6252119cc20558ed14c9f'],
+ }),
+ ('nabor', '0.5.0', {
+ 'checksums': ['47938dcc987279281c13abfd667660bf1b3b76af116136a27eb066ee1a4b43da'],
+ }),
+ ('harmony', '0.1.0', {
+ 'checksums': ['e0598c220ae90d1334e47c9958ccccf7defbe6ac530159bc69424923894f724a'],
+ }),
+ ('apcluster', '1.4.10', {
+ 'checksums': ['a214f72fa2f84563f3ca1aabb5322ef3e266007a6273ee8434bc2e2a7b9040a0'],
+ }),
+ ('DataCombine', '0.2.21', {
+ 'checksums': ['352b235612e2cf8234b3ab5f9aa6f7a394b006b98d24e315940ccc65c4218b47'],
+ }),
+ ('docstring', '1.0.0', {
+ 'checksums': ['14528bc85bbb299fb8fe1a7116034f8df49ae0c26fb299376185b5d56176e5a7'],
+ }),
+ ('gdalUtils', '2.0.3.2', {
+ 'checksums': ['4c6faabee2db8a87b7ea0f8e67e9fce3c5db7f4be353d7d86ea559507cbb2a4f'],
+ }),
+ ('openair', '2.10-0', {
+ 'checksums': ['1acdeafa1b96bbcb13c73f2ef965efb635e6306678cc22468d383c4bb5098a92'],
+ }),
+ ('pdp', '0.8.1', {
+ 'checksums': ['e23db66e5d575337d5c8fd664ccd0548cc85da2aca6613d90ce187be1dca376c'],
+ }),
+ ('date', '1.2-39', {
+ 'checksums': ['b5b1935638b73373809c009f94b77f993cd301744488d9bdf71ef79c82099757'],
+ }),
+ ('cmprsk', '2.2-11', {
+ 'checksums': ['844027cb2c162cf7ef97034d01237ad7b81aa192fe302250d22d2c5528110e14'],
+ }),
+ ('mets', '1.2.9', {
+ 'checksums': ['5faccc064e715c44234def40f4f560e90f2dbd34c915a8687b48103b39814ab5'],
+ }),
+ ('Publish', '2020.12.23', {
+ 'checksums': ['a7a98fc52801bee30b9c8cb423e4e0082ea42d05134f7d3324ac3e95242cfbe2'],
+ }),
+ ('riskRegression', '2022.03.22', {
+ 'checksums': ['4e1a66a45be73ae07bbc537192d3132e1cfc67ad24bc4b281b5cffa44282a047'],
+ }),
+ ('pec', '2022.05.04', {
+ 'checksums': ['47a1079b5d4aa5df8aaa716324ee48c55660025c4cf10c93b5ee1d7250761468'],
+ }),
+ ('pammtools', '0.5.8', {
+ 'checksums': ['37197edd0984f8bf0e0a39a4ac1cfce897050dbb7f610553c349118fceb3ca93'],
+ }),
+ ('relsurv', '2.2-7', {
+ 'checksums': ['82c84bbe0a3eb9b391cbb885b3f3e7114adda5243aa83f974922d2edca918317'],
+ }),
+ ('mstate', '0.3.2', {
+ 'checksums': ['3c473dff6854e31cdbdaf79f8fe7eaf97119b01a581874a894b283555afe8d14'],
+ }),
+ ('microbenchmark', '1.4.9', {
+ 'checksums': ['443d2caf370ef33e4ac2773176ad9eb86f8790f43b430968ef9647699dbbffd2'],
+ }),
+ ('prettyGraphs', '2.1.6', {
+ 'checksums': ['fece08924fc7ed05ec419afa14a2216a2bb23d9da5ed3fc61472d6e45be7577a'],
+ }),
+ ('ExPosition', '2.8.23', {
+ 'checksums': ['0510bc51b1c8c883ff3652a5ed56242f91c2b7b7cf3100755436bffa1e002475'],
+ }),
+ ('alluvial', '0.1-2', {
+ 'checksums': ['77b6dc4651b33b03aaaf1e09a35f9c3536e5fddac2eda34f5a34e0ae33cf2e0d'],
+ }),
+ ('SNFtool', '2.3.1', {
+ 'checksums': ['982fe7c57f52c0c272b8cb5863dc5d50623b368e24ff6e27fc8b17acc0101f16'],
+ }),
+ ('BayesLogit', '2.1', {
+ 'checksums': ['3a423f68339ed1bf25e21be53b1fd68452ed7807b17c36239fba759dc6fc6b70'],
+ }),
+ ('Hmsc', '3.0-11', {
+ 'checksums': ['318e95ea88a15939dac33691886a9ce0c54765b25a3f4ef483d168bfc699098a'],
+ }),
+ ('MonteCarlo', '1.0.6', {
+ 'checksums': ['f21aecfba957bbea9576b09f75b1f7c7621637a04532a8fed2c6bb8ffc1a98cb'],
+ }),
+ ('RhpcBLASctl', '0.21-247.1', {
+ 'checksums': ['5be55fd5ddd8173167a48b9f072835a34062ad0268308f2b3fbd1781a5c99769'],
+ }),
+ ('chkptstanr', '0.1.1', {
+ 'checksums': ['433b29d597d7ea6c21ed652782a7bf2d766f9223a3b7bfed235c8fe7fffd175c'],
+ }),
+ ('MLmetrics', '1.1.1', {
+ 'checksums': ['777f1b76b16837387b830e2b65304ede234b9299d17efd09c7fd403356122118'],
+ }),
+ ('renv', '0.15.5', {
+ 'checksums': ['b4f1a9a7daa82f0c3123ebd4eeba06e98d5485215518e5292b25bc56741d582e'],
+ }),
+ ('elliptic', '1.4-0', {
+ 'checksums': ['b65729b1a1c7a84a5b1a59bfc893a2d35106853eaadcae31cda5c9ee3c500bb6'],
+ }),
+ ('contfrac', '1.1-12', {
+ 'checksums': ['95bfc5e970513416c080486a1cd8dfd9f8d59fb691b02ef6ccbe0ce1ed61056b'],
+ }),
+ ('hypergeo', '1.2-13', {
+ 'checksums': ['6d5b78353aad1d13091ccbeb340867dad7b9eb00d0e2185286dc7e13848f4d8e'],
+ }),
+ ('rtdists', '0.11-5', {
+ 'checksums': ['97cf2ea758aa02b1dfaeef5032c6e50570777552aa771ed9a86df048b7871eed'],
+ }),
+ ('AMAPVox', '0.12.0', {
+ 'checksums': ['b30fefef8661e27ffe3883665204b623eda2143dbcd3084a1d5810f8ea834c85'],
+ }),
+ ('LCFdata', '2.0', {
+ 'checksums': ['b58f4d93b9023dd1ba2db96a59ddfc058397085933d8de4cdb38ee064d5e7bf4'],
+ }),
+ ('LMERConvenienceFunctions', '3.0', {
+ 'checksums': ['eb430de9fbf836173f716960d60afc2de91de7f986471f406c3ca9027142e849'],
+ }),
+]
+
+moduleclass = 'lang'
diff --git a/Golden_Repo/r/R/liquidSVM-1.2.4-fix_ppc_and_aarch64_build.patch b/Golden_Repo/r/R/liquidSVM-1.2.4-fix_ppc_and_aarch64_build.patch
new file mode 100644
index 0000000000000000000000000000000000000000..56af45097b778929832cdb4b0af770543e61c5ce
--- /dev/null
+++ b/Golden_Repo/r/R/liquidSVM-1.2.4-fix_ppc_and_aarch64_build.patch
@@ -0,0 +1,49 @@
+The code requires C++11 but nvcc is not passed any flag for it, do that to avoid 'error: identifier "__ieee128" is undefined' on PPC
+Use uppercase __PPC64__ to detect PPC 64bit (defined by GCC)
+Use lowercase __aarch64__ to detect aarch64 (defined by GCC)
+diff -aur liquidSVM-orig/MD5 liquidSVM/MD5
+--- liquidSVM-orig/MD5 2020-02-20 15:51:17.387058566 +0100
++++ liquidSVM/MD5 2020-02-20 16:48:06.042078399 +0100
+@@ -66,7 +66,7 @@
+ e0ea06f050a2ae8ed2f2e401d968f0ce *man/test.liquidSVM.Rd
+ 8874fc45419e3174bf06013d887f6582 *man/trainSVMs.Rd
+ 4cf2abf7c6d415a4a8cd7f5dee2df959 *man/write.liquidData.Rd
+-854c1eecccd169acdb80b03ad6d768dc *src/Makevars.in
++8c4346267f7b7f649ff27fb5288d4e23 *src/Makevars.in
+ e6d47b428caa2cc55798b431cb5e504f *src/kernel_calculator.cpp
+ 13af8529f5c2bccd4ea03288e9adf908 *src/kernel_calculator.h
+ dc2c86cbe61e7b7c5dd433f9fa41fac6 *src/liquidSVM.cpp
+@@ -155,7 +155,7 @@
+ 8b39ec05680bf3416bc1de3ad92f043f *src/sources/shared/system_support/cuda_simple_vector_operations.h
+ 806ca83732bff4b1b89adfc3494e90da *src/sources/shared/system_support/full_64bit_support.h
+ dfb08cdb449d490d86dd33bee186aac5 *src/sources/shared/system_support/memory_allocation.cpp
+-aec0000be577e69e88c040b641d6818a *src/sources/shared/system_support/memory_allocation.h
++f0231e65bd627116f1b5ebcc45ab1e66 *src/sources/shared/system_support/memory_allocation.h
+ 683d4ee517b1c760dc410c69c5508ce2 *src/sources/shared/system_support/memory_allocation.ins.cpp
+ cbd209324ad752e19be10d8975d65e2f *src/sources/shared/system_support/os_specifics.h
+ 54e8583d2e8e269ff2b6d7a79d57cbd5 *src/sources/shared/system_support/parallel_control.cpp
+diff -aur liquidSVM-orig/src/Makevars.in liquidSVM/src/Makevars.in
+--- liquidSVM-orig/src/Makevars.in 2020-02-20 15:51:17.377058962 +0100
++++ liquidSVM/src/Makevars.in 2020-02-20 16:47:44.042949538 +0100
+@@ -39,7 +39,7 @@
+ # The architecure flag can be set to higher values, if the hardware supports this.
+ # The value below should be safe for essentially all non stone-age systems.
+
+-NVCCFLAGS= -arch sm_30 -L$(CUDA_LIB_PATH) -DCOMPILE_WITH_CUDA__ -U__SSE2__ -U__AVX__
++NVCCFLAGS= -arch sm_30 -L$(CUDA_LIB_PATH) -DCOMPILE_WITH_CUDA__ -U__SSE2__ -U__AVX__ -std=c++11
+
+
+ #----------- CUDA related flags for GCC ----------------------------------------------------
+diff -aur liquidSVM-orig/src/sources/shared/system_support/memory_allocation.h liquidSVM/src/sources/shared/system_support/memory_allocation.h
+--- liquidSVM-orig/src/sources/shared/system_support/memory_allocation.h 2020-02-20 15:51:17.377058962 +0100
++++ liquidSVM/src/sources/shared/system_support/memory_allocation.h 2020-02-20 15:56:04.905673381 +0100
+@@ -42,7 +42,7 @@
+
+ // Check for GCC
+ #if __GNUC__
+- #if __x86_64__ || __ppc64__
++ #if __x86_64__ || __ppc64__ || __PPC64__ || __aarch64__
+ #define SYSTEM_WITH_64BIT
+ #else
+ #define SYSTEM_WITH_32BIT
+
diff --git a/Golden_Repo/r/Rust/Rust-1.67.1-GCCcore-11.3.0.eb b/Golden_Repo/r/Rust/Rust-1.67.1-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..576b77803195085ba32d339244a3dba233a997af
--- /dev/null
+++ b/Golden_Repo/r/Rust/Rust-1.67.1-GCCcore-11.3.0.eb
@@ -0,0 +1,58 @@
+easyblock = 'ConfigureMake'
+
+name = 'Rust'
+version = '1.67.1'
+
+homepage = 'https://www.rust-lang.org'
+description = """Rust is a systems programming language that runs blazingly fast, prevents segfaults,
+ and guarantees thread safety."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://static.rust-lang.org/dist/']
+sources = ['rustc-%(version)s-src.tar.gz']
+patches = ['Rust-1.60_sysroot-fix-interpreter.patch']
+checksums = [
+ {'rustc-1.67.1-src.tar.gz': '46483d3e5de85a3bd46f8e7a3ae1837496391067dbe713a25d3cf051b3d9ff6e'},
+ {'Rust-1.60_sysroot-fix-interpreter.patch': 'b59ed4c2591fc9098277299be21dd6752654f6f193d8652b7d21cb0fa0dd8716'},
+]
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('CMake', '3.23.1'),
+ ('Python', '3.10.4', '-bare'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('OpenSSL', '1.1', '', True),
+]
+
+configopts = "--enable-extended --sysconfdir=%(installdir)s/etc "
+
+# avoid build dependency on Ninja, which requires Python,
+# since Rust is a build dependency for cryptography that is included with Python
+configopts += "--set=llvm.ninja=false "
+
+# Use ./x.py to bootstrap so that options like -j N are correctly passed through
+# see: https://rustc-dev-guide.rust-lang.org/building/how-to-build-and-run.html#what-is-xpy
+# (ConfigureMake already adds `-j %(parallel)s` to the `build_cmd`)
+build_cmd = "./x.py build"
+install_cmd = "./x.py install -j %(parallel)s"
+
+# avoid failure when home directory is an NFS mount,
+# see https://github.com/rust-lang/cargo/issues/6652
+prebuildopts = "export CARGO_HOME=%(builddir)s/cargo && "
+preinstallopts = prebuildopts
+
+sanity_check_paths = {
+ 'files': ['bin/cargo', 'bin/rustc', 'bin/rustdoc'],
+ 'dirs': ['lib/rustlib', 'share/doc', 'share/man'],
+}
+
+sanity_check_commands = [
+ "cargo --version",
+ "rustc --version",
+]
+
+moduleclass = 'lang'
diff --git a/Golden_Repo/s/SCOTCH/SCOTCH-7.0.1-ipsmpi-2022a.eb b/Golden_Repo/s/SCOTCH/SCOTCH-7.0.1-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1d47aa91d17ca338eef759973dc9d1f1f503a99f
--- /dev/null
+++ b/Golden_Repo/s/SCOTCH/SCOTCH-7.0.1-ipsmpi-2022a.eb
@@ -0,0 +1,48 @@
+name = 'SCOTCH'
+
+version = '7.0.1'
+
+homepage = 'http://gforge.inria.fr/projects/scotch/'
+
+description = """Software package and libraries for sequential and parallel graph partitioning,
+
+static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning.
+
+"""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+
+toolchainopts = {'pic': True}
+
+source_urls = ['https://gitlab.inria.fr/scotch/scotch/-/archive/v%(version)s/']
+sources = ['%(namelower)s-v%(version)s.tar.gz']
+checksums = ['0618e9bc33c02172ea7351600fce4fccd32fe00b3359c4aabb5e415f17c06fed']
+
+builddependencies = [
+ ('Bison', '3.8.2'),
+ ('flex', '2.6.4'),
+]
+
+dependencies = [
+ ('zlib', '1.2.12'),
+]
+
+configopts = '-DIDXSIZE64 '
+
+modloadmsg = """
+
+Notice: We do not support the Fortran interface
+
+"""
+
+modextravars = {
+
+ 'SCOTCH_ROOT': '%(installdir)s',
+
+ 'SCOTCH_INCLUDE': '%(installdir)s/include/',
+
+ 'SCOTCH_LIB': '%(installdir)s/lib',
+
+}
+
+moduleclass = 'math'
diff --git a/Golden_Repo/s/SLEPc/SLEPc-3.18.2-gpsmkl-2022a.eb b/Golden_Repo/s/SLEPc/SLEPc-3.18.2-gpsmkl-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1f739b100355a8d227f63e8023828b16db456ee8
--- /dev/null
+++ b/Golden_Repo/s/SLEPc/SLEPc-3.18.2-gpsmkl-2022a.eb
@@ -0,0 +1,29 @@
+name = 'SLEPc'
+
+version = '3.18.2'
+
+homepage = 'http://slepc.upv.es/'
+
+description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
+of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
+either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
+partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
+examples = 'Examples can be found in $EBROOTSLEPC/share/slepc/examples/'
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'usempi': True, 'openmp': True}
+source_urls = ['http://slepc.upv.es/download/distrib']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5bd90a755934e702ab1fdb3320b9fe75ab5fc28c93d364248ea86a372fbe6a62']
+
+dependencies = [('PETSc', '3.18.5')]
+petsc_arch = 'installed-arch-linux2-c-opt'
+
+modextravars = {
+ 'SLEPc_ROOT': '%(installdir)s',
+ 'SLEPcROOT': '%(installdir)s',
+ 'SLEPc_INCLUDE': '%(installdir)s/include/',
+ 'SLEPc_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/s/SciPy-Stack/SciPy-Stack-2022a-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/s/SciPy-Stack/SciPy-Stack-2022a-gcccoremkl-11.3.0-2022.1.0.eb
index 75e2b199c39e9233a05d8f8b0c6e58b05488623a..a90454d685879b08b33bd8d1ba8bf1e7a25678be 100644
--- a/Golden_Repo/s/SciPy-Stack/SciPy-Stack-2022a-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/s/SciPy-Stack/SciPy-Stack-2022a-gcccoremkl-11.3.0-2022.1.0.eb
@@ -5,7 +5,7 @@ version = '2022a'
homepage = 'http://www.scipy.org'
description = """SciPy Stack is a collection of open source software for scientific computing in Python.
SciPy Stack includes SciPy-bundle/2022.05, matplotlib/3.5.2, Seaborn/0.12.1, sympy/1.11.1, xarray/2022.9.0
-and IPython 8.5.0.
+and IPython 8.14.0.
"""
toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
@@ -17,7 +17,7 @@ dependencies = [
('Seaborn', '0.12.1'),
('sympy', '1.11.1'),
('xarray', '2022.9.0'),
- ('IPython', '8.5.0'),
+ ('IPython', '8.14.0'),
]
moduleclass = 'vis'
diff --git a/Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-gcccoremkl-11.3.0-2022.1.0.eb
index 788dd8af5a41d3d9c8202e9505fb78313fd319c4..3c50e33aad5ef06a900ecd416ccec68f58aca9cf 100644
--- a/Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-gcccoremkl-11.3.0-2022.1.0.eb
@@ -77,12 +77,8 @@ exts_list = [
('mpmath', '1.2.1', {
'checksums': ['79ffb45cf9f4b101a807595bcb3e72e0396202e0b1d25d689134b48c4216a81a'],
}),
- ('deap', '1.3.1', {
- 'patches': ['deap-1.3.1_no_2to3.patch'],
- 'checksums': [
- '11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f', # deap-1.3.1.tar.gz
- '3fa9fac74b0750ac6667371ce0634c797d62d270c76eee9c258b55f4a5a5e689', # deap-1.3.1_no_2to3.patch
- ],
+ ('deap', '1.3.3', {
+ 'checksums': ['8772f1b0fff042d5e516b0aebac2c706243045aa7d0de8e0b8658f380181cf31'],
}),
]
diff --git a/Golden_Repo/s/Score-P/Score-P-8.1-gompi-2022a.eb b/Golden_Repo/s/Score-P/Score-P-8.1-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..322e24504bfaa6c3941bf7699eb8b543344ed118
--- /dev/null
+++ b/Golden_Repo/s/Score-P/Score-P-8.1-gompi-2022a.eb
@@ -0,0 +1,67 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+# Copyright:: Copyright 2013-2023 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'Score-P'
+version = '8.1'
+
+homepage = 'https://www.score-p.org'
+description = """
+The Score-P measurement infrastructure is a highly scalable and easy-to-use
+tool suite for profiling, event tracing, and online analysis of HPC
+applications.
+"""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/scorep/tags/scorep-%(version)s']
+sources = ['scorep-%(version)s.tar.gz']
+checksums = [
+ '3a40b481fce610871ddf6bdfb88a6d06b9e5eb38c6080faac6d5e44990060a37', # scorep-8.1.tar.gz
+]
+
+builddependencies = [
+ ('CUDA', '11.7', '', SYSTEM),
+ ('CubeLib', '4.8.1'),
+ ('CubeWriter', '4.8.1'),
+ # Unwinding/sampling support (optional):
+ ('libunwind', '1.6.2'),
+]
+
+dependencies = [
+ # binutils is implicitly available via GCC toolchain
+ ('OPARI2', '2.0.7'),
+ ('OTF2', '3.0.3'),
+ # Hardware counter support (optional):
+ ('PAPI', '7.0.0'),
+]
+
+configopts = '--enable-shared --with-machine-name=$SYSTEMNAME '
+# Enable CUDA support
+configopts += '--with-libOpenCL=$EBROOTCUDA/targets/x86_64-linux '
+# Make OMPT default, if available
+configopts += '--enable-default=ompt '
+
+postinstallcmds = ['make installcheck']
+
+sanity_check_paths = {
+ 'files': ['bin/scorep', 'include/scorep/SCOREP_User.h',
+ ('lib/libscorep_adapter_mpi_event.a', 'lib64/libscorep_adapter_mpi_event.a'),
+ ('lib/libscorep_adapter_mpi_event.%s' % SHLIB_EXT, 'lib64/libscorep_adapter_mpi_event.%s' % SHLIB_EXT)],
+ 'dirs': [],
+}
+
+# Ensure that local metric documentation is found by CubeGUI
+modextrapaths = {'CUBE_DOCPATH': 'share/doc/scorep/profile'}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/s/Score-P/Score-P-8.1-gpsmpi-2022a.eb b/Golden_Repo/s/Score-P/Score-P-8.1-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..ac63d8bbb423b929edf36c9d4ce03a64ce2408af
--- /dev/null
+++ b/Golden_Repo/s/Score-P/Score-P-8.1-gpsmpi-2022a.eb
@@ -0,0 +1,67 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+# Copyright:: Copyright 2013-2023 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'Score-P'
+version = '8.1'
+
+homepage = 'https://www.score-p.org'
+description = """
+The Score-P measurement infrastructure is a highly scalable and easy-to-use
+tool suite for profiling, event tracing, and online analysis of HPC
+applications.
+"""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/scorep/tags/scorep-%(version)s']
+sources = ['scorep-%(version)s.tar.gz']
+checksums = [
+ '3a40b481fce610871ddf6bdfb88a6d06b9e5eb38c6080faac6d5e44990060a37', # scorep-8.1.tar.gz
+]
+
+builddependencies = [
+ ('CUDA', '11.7', '', SYSTEM),
+ ('CubeLib', '4.8.1'),
+ ('CubeWriter', '4.8.1'),
+ # Unwinding/sampling support (optional):
+ ('libunwind', '1.6.2'),
+]
+
+dependencies = [
+ # binutils is implicitly available via GCC toolchain
+ ('OPARI2', '2.0.7'),
+ ('OTF2', '3.0.3'),
+ # Hardware counter support (optional):
+ ('PAPI', '7.0.0'),
+]
+
+configopts = '--enable-shared --with-machine-name=$SYSTEMNAME '
+# Enable CUDA support
+configopts += '--with-libOpenCL=$EBROOTCUDA/targets/x86_64-linux '
+# Make OMPT default, if available
+configopts += '--enable-default=ompt '
+
+postinstallcmds = ['make installcheck']
+
+sanity_check_paths = {
+ 'files': ['bin/scorep', 'include/scorep/SCOREP_User.h',
+ ('lib/libscorep_adapter_mpi_event.a', 'lib64/libscorep_adapter_mpi_event.a'),
+ ('lib/libscorep_adapter_mpi_event.%s' % SHLIB_EXT, 'lib64/libscorep_adapter_mpi_event.%s' % SHLIB_EXT)],
+ 'dirs': [],
+}
+
+# Ensure that local metric documentation is found by CubeGUI
+modextrapaths = {'CUBE_DOCPATH': 'share/doc/scorep/profile'}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/s/Score-P/Score-P-8.1-ipsmpi-2022a.eb b/Golden_Repo/s/Score-P/Score-P-8.1-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9c4b609723f5ba69f2efb3715e03aaf359f9f490
--- /dev/null
+++ b/Golden_Repo/s/Score-P/Score-P-8.1-ipsmpi-2022a.eb
@@ -0,0 +1,67 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+# Copyright:: Copyright 2013-2023 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'Score-P'
+version = '8.1'
+
+homepage = 'https://www.score-p.org'
+description = """
+The Score-P measurement infrastructure is a highly scalable and easy-to-use
+tool suite for profiling, event tracing, and online analysis of HPC
+applications.
+"""
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/scorep/tags/scorep-%(version)s']
+sources = ['scorep-%(version)s.tar.gz']
+checksums = [
+ '3a40b481fce610871ddf6bdfb88a6d06b9e5eb38c6080faac6d5e44990060a37', # scorep-8.1.tar.gz
+]
+
+builddependencies = [
+ ('CUDA', '11.7', '', SYSTEM),
+ ('CubeLib', '4.8.1'),
+ ('CubeWriter', '4.8.1'),
+ # Unwinding/sampling support (optional):
+ ('libunwind', '1.6.2'),
+]
+
+dependencies = [
+ # binutils is implicitly available via GCC toolchain
+ ('OPARI2', '2.0.7'),
+ ('OTF2', '3.0.3'),
+ # Hardware counter support (optional):
+ ('PAPI', '7.0.0'),
+]
+
+configopts = '--enable-shared --with-machine-name=$SYSTEMNAME '
+# Enable CUDA support
+configopts += '--with-libOpenCL=$EBROOTCUDA/targets/x86_64-linux '
+# Make OMPT default, if available
+configopts += '--enable-default=ompt '
+
+postinstallcmds = ['make installcheck']
+
+sanity_check_paths = {
+ 'files': ['bin/scorep', 'include/scorep/SCOREP_User.h',
+ ('lib/libscorep_adapter_mpi_event.a', 'lib64/libscorep_adapter_mpi_event.a'),
+ ('lib/libscorep_adapter_mpi_event.%s' % SHLIB_EXT, 'lib64/libscorep_adapter_mpi_event.%s' % SHLIB_EXT)],
+ 'dirs': [],
+}
+
+# Ensure that local metric documentation is found by CubeGUI
+modextrapaths = {'CUBE_DOCPATH': 'share/doc/scorep/profile'}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/s/Score-P/Score-P-8.1-npsmpic-2022a.eb b/Golden_Repo/s/Score-P/Score-P-8.1-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..17d41f01eef781abdf5c54f9ae6cf8ab7a229b27
--- /dev/null
+++ b/Golden_Repo/s/Score-P/Score-P-8.1-npsmpic-2022a.eb
@@ -0,0 +1,67 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+# Copyright:: Copyright 2013-2023 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'Score-P'
+version = '8.1'
+
+homepage = 'https://www.score-p.org'
+description = """
+The Score-P measurement infrastructure is a highly scalable and easy-to-use
+tool suite for profiling, event tracing, and online analysis of HPC
+applications.
+"""
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/scorep/tags/scorep-%(version)s']
+sources = ['scorep-%(version)s.tar.gz']
+checksums = [
+ '3a40b481fce610871ddf6bdfb88a6d06b9e5eb38c6080faac6d5e44990060a37', # scorep-8.1.tar.gz
+]
+
+builddependencies = [
+ ('CUDA', '11.7', '', SYSTEM),
+ ('CubeLib', '4.8.1'),
+ ('CubeWriter', '4.8.1'),
+ # Unwinding/sampling support (optional):
+ ('libunwind', '1.6.2'),
+]
+
+dependencies = [
+ # binutils is implicitly available via GCC toolchain
+ ('OPARI2', '2.0.7'),
+ ('OTF2', '3.0.3'),
+ # Hardware counter support (optional):
+ ('PAPI', '7.0.0'),
+]
+
+configopts = '--enable-shared --with-machine-name=$SYSTEMNAME '
+# Enable CUDA support
+configopts += '--with-libOpenCL=$EBROOTCUDA/targets/x86_64-linux '
+# Make OMPT default, if available
+configopts += '--enable-default=ompt '
+
+postinstallcmds = ['make installcheck']
+
+sanity_check_paths = {
+ 'files': ['bin/scorep', 'include/scorep/SCOREP_User.h',
+ ('lib/libscorep_adapter_mpi_event.a', 'lib64/libscorep_adapter_mpi_event.a'),
+ ('lib/libscorep_adapter_mpi_event.%s' % SHLIB_EXT, 'lib64/libscorep_adapter_mpi_event.%s' % SHLIB_EXT)],
+ 'dirs': [],
+}
+
+# Ensure that local metric documentation is found by CubeGUI
+modextrapaths = {'CUBE_DOCPATH': 'share/doc/scorep/profile'}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/s/Score-P/Score-P-8.1-nvompic-2022a.eb b/Golden_Repo/s/Score-P/Score-P-8.1-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2464a970ac4184b5fee64a350378ff63f809648b
--- /dev/null
+++ b/Golden_Repo/s/Score-P/Score-P-8.1-nvompic-2022a.eb
@@ -0,0 +1,67 @@
+##
+# This is an easyconfig file for EasyBuild, see https://github.com/easybuilders/easybuild
+# Copyright:: Copyright 2013-2023 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# Markus Geimer <m.geimer@fz-juelich.de>
+# Christian Feld <c.feld@fz-juelich.de>
+# License:: 3-clause BSD
+#
+# This work is based on experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'Score-P'
+version = '8.1'
+
+homepage = 'https://www.score-p.org'
+description = """
+The Score-P measurement infrastructure is a highly scalable and easy-to-use
+tool suite for profiling, event tracing, and online analysis of HPC
+applications.
+"""
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+
+source_urls = ['http://perftools.pages.jsc.fz-juelich.de/cicd/scorep/tags/scorep-%(version)s']
+sources = ['scorep-%(version)s.tar.gz']
+checksums = [
+ '3a40b481fce610871ddf6bdfb88a6d06b9e5eb38c6080faac6d5e44990060a37', # scorep-8.1.tar.gz
+]
+
+builddependencies = [
+ ('CUDA', '11.7', '', SYSTEM),
+ ('CubeLib', '4.8.1'),
+ ('CubeWriter', '4.8.1'),
+ # Unwinding/sampling support (optional):
+ ('libunwind', '1.6.2'),
+]
+
+dependencies = [
+ # binutils is implicitly available via GCC toolchain
+ ('OPARI2', '2.0.7'),
+ ('OTF2', '3.0.3'),
+ # Hardware counter support (optional):
+ ('PAPI', '7.0.0'),
+]
+
+configopts = '--enable-shared --with-machine-name=$SYSTEMNAME '
+# Enable CUDA support
+configopts += '--with-libOpenCL=$EBROOTCUDA/targets/x86_64-linux '
+# Make OMPT default, if available
+configopts += '--enable-default=ompt '
+
+postinstallcmds = ['make installcheck']
+
+sanity_check_paths = {
+ 'files': ['bin/scorep', 'include/scorep/SCOREP_User.h',
+ ('lib/libscorep_adapter_mpi_event.a', 'lib64/libscorep_adapter_mpi_event.a'),
+ ('lib/libscorep_adapter_mpi_event.%s' % SHLIB_EXT, 'lib64/libscorep_adapter_mpi_event.%s' % SHLIB_EXT)],
+ 'dirs': [],
+}
+
+# Ensure that local metric documentation is found by CubeGUI
+modextrapaths = {'CUBE_DOCPATH': 'share/doc/scorep/profile'}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/s/SymEngine-python/SymEngine-python-0.9.2-GCC-11.3.0.eb b/Golden_Repo/s/SymEngine-python/SymEngine-python-0.9.2-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e4abee3bc07b376ba3bfd45c84e7b6b453e684d4
--- /dev/null
+++ b/Golden_Repo/s/SymEngine-python/SymEngine-python-0.9.2-GCC-11.3.0.eb
@@ -0,0 +1,34 @@
+easyblock = 'PythonPackage'
+
+name = 'SymEngine-python'
+version = '0.9.2'
+
+homepage = 'https://github.com/symengine/symengine.py'
+description = "Python wrappers to the C++ library SymEngine, a fast C++ symbolic manipulation library."
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+source_urls = ['https://github.com/symengine/symengine.py/archive/refs/tags/']
+sources = ['v%(version)s.tar.gz']
+patches = ['py_modules.patch']
+checksums = [
+ '9da048692d741bb001d9947a0e2bdf8909600cb4e6f3b9273d518cf93300955d',
+ '8ad1b29de924ab8589ee86658c6a7bb6921f867b26b03fdf1491a109c7df1e97',
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('SymEngine', '0.9.0'),
+ ('Python', '3.10.4'),
+]
+
+use_pip = True
+download_dep_fail = True
+sanity_pip_check = True
+
+options = {'modulename': 'symengine'}
+
+moduleclass = 'lib'
diff --git a/Golden_Repo/s/SymEngine-python/py_modules.patch b/Golden_Repo/s/SymEngine-python/py_modules.patch
new file mode 100644
index 0000000000000000000000000000000000000000..15a6235e12b25b9ef0ce2d1fd2e7b9753d47c41f
--- /dev/null
+++ b/Golden_Repo/s/SymEngine-python/py_modules.patch
@@ -0,0 +1,11 @@
+diff -Naur symengine.py-0.9.2.orig/setup.py symengine.py-0.9.2/setup.py
+--- symengine.py-0.9.2.orig/setup.py 2022-03-07 23:39:26.000000000 +0100
++++ symengine.py-0.9.2/setup.py 2023-02-05 09:58:50.534749182 +0100
+@@ -238,5 +238,6 @@
+ 'Programming Language :: Python :: 3.8',
+ 'Programming Language :: Python :: 3.9',
+ 'Programming Language :: Python :: 3.10',
+- ]
++ ],
++ py_modules=[]
+ )
diff --git a/Golden_Repo/s/scikit-image/scikit-image-0.19.3-foss-2022a.eb b/Golden_Repo/s/scikit-image/scikit-image-0.19.3-foss-2022a.eb
deleted file mode 100644
index d0f19c038b4264631acf12b9692cbbf47cd282d7..0000000000000000000000000000000000000000
--- a/Golden_Repo/s/scikit-image/scikit-image-0.19.3-foss-2022a.eb
+++ /dev/null
@@ -1,43 +0,0 @@
-easyblock = 'PythonBundle'
-
-name = 'scikit-image'
-version = '0.19.3'
-
-homepage = 'https://scikit-image.org/'
-description = "scikit-image is a collection of algorithms for image processing."
-
-toolchain = {'name': 'foss', 'version': '2022a'}
-
-dependencies = [
- ('Python', '3.10.4'),
- ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
- ('Pillow-SIMD', '9.2.0'),
- ('networkx', '2.8.4', '', ('gcccoremkl', '11.3.0-2022.1.0')),
- ('dask', '2022.10.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
- ('imageio', '2.22.2'),
-]
-
-use_pip = True
-sanity_pip_check = True
-
-exts_list = [
- ('PyWavelets', '1.4.1', {
- 'modulename': 'pywt',
- 'checksums': ['6437af3ddf083118c26d8f97ab43b0724b956c9f958e9ea788659f6a2834ba93'],
- }),
- ('imread', '0.7.4', {
- 'checksums': ['0487adef11a22168700968c1727020361a72f6132b6ced2b8826b02d8cbf744f'],
- }),
- ('pooch', '1.6.0', {
- 'checksums': ['57d20ec4b10dd694d2b05bb64bc6b109c6e85a6c1405794ce87ed8b341ab3f44'],
- }),
- ('tifffile', '2022.10.10', {
- 'checksums': ['50b61ba943b866d191295bc38a00191c9fdab23ece063544c7f1a264e3f6aa8e'],
- }),
- (name, version, {
- 'modulename': 'skimage',
- 'checksums': ['24b5367de1762da6ee126dd8f30cc4e7efda474e0d7d70685433f0e3aa2ec450'],
- }),
-]
-
-moduleclass = 'vis'
diff --git a/Golden_Repo/s/scikit-image/scikit-image-0.19.3-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/s/scikit-image/scikit-image-0.19.3-gcccoremkl-11.3.0-2022.1.0.eb
index 434e5161cffc25c54576b18682a45026d1a7dbf1..1d1e65d6f84ce4abf03c191d775c3922bf4362fa 100644
--- a/Golden_Repo/s/scikit-image/scikit-image-0.19.3-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/s/scikit-image/scikit-image-0.19.3-gcccoremkl-11.3.0-2022.1.0.eb
@@ -13,7 +13,7 @@ dependencies = [
('matplotlib', '3.5.2'),
('Pillow-SIMD', '9.2.0'),
('networkx', '2.8.4'),
- ('dask', '2022.10.2'),
+ ('dask', '2022.12.0'),
('imageio', '2.22.2'),
]
diff --git a/Golden_Repo/s/scikit-learn/scikit-learn-1.1.2-foss-2022a.eb b/Golden_Repo/s/scikit-learn/scikit-learn-1.1.2-foss-2022a.eb
deleted file mode 100644
index a2a04fa2ba1d6533415dad716ab243dc9ff95743..0000000000000000000000000000000000000000
--- a/Golden_Repo/s/scikit-learn/scikit-learn-1.1.2-foss-2022a.eb
+++ /dev/null
@@ -1,32 +0,0 @@
-easyblock = 'PythonBundle'
-
-name = 'scikit-learn'
-version = '1.1.2'
-
-homepage = 'https://scikit-learn.org/stable/index.html'
-description = """Scikit-learn integrates machine learning algorithms in the tightly-knit scientific Python world,
-building upon numpy, scipy, and matplotlib. As a machine-learning module,
-it provides versatile tools for data mining and analysis in any field of science and engineering.
-It strives to be simple and efficient, accessible to everybody, and reusable in various contexts."""
-
-toolchain = {'name': 'foss', 'version': '2022a'}
-
-dependencies = [
- ('Python', '3.10.4'),
- ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
-]
-
-use_pip = True
-sanity_pip_check = True
-
-exts_list = [
- (name, version, {
- 'modulename': 'sklearn',
- 'checksums': ['7c22d1305b16f08d57751a4ea36071e2215efb4c09cb79183faa4e8e82a3dbf8'],
- }),
- ('sklearn', '0.0', {
- 'checksums': ['e23001573aa194b834122d2b9562459bf5ae494a2d59ca6b8aa22c85a44c0e31'],
- }),
-]
-
-moduleclass = 'data'
diff --git a/Golden_Repo/s/shpc/shpc-0.1.17-GCCcore-11.3.0.eb b/Golden_Repo/s/shpc/shpc-0.1.19-GCCcore-11.3.0.eb
similarity index 93%
rename from Golden_Repo/s/shpc/shpc-0.1.17-GCCcore-11.3.0.eb
rename to Golden_Repo/s/shpc/shpc-0.1.19-GCCcore-11.3.0.eb
index 04e02382d017cdd8ca86d6d9ffea5e80fcbc6614..664f4a179d95a7013ee2cb46add918a9dd7e2014 100644
--- a/Golden_Repo/s/shpc/shpc-0.1.17-GCCcore-11.3.0.eb
+++ b/Golden_Repo/s/shpc/shpc-0.1.19-GCCcore-11.3.0.eb
@@ -1,7 +1,7 @@
easyblock = 'PythonBundle'
name = 'shpc'
-version = '0.1.17'
+version = '0.1.19'
homepage = 'https://github.com/singularityhub/singularity-hpc'
@@ -10,8 +10,6 @@ Environement Modules. Works for users and admins."""
toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
-#
-# sources = ['%(version)s.tar.gz']
builddependencies = [('binutils', '2.38')]
@@ -37,7 +35,7 @@ exts_list = [
(name, version, {
'source_urls': ['https://github.com/singularityhub/singularity-hpc/archive/refs/tags/'],
'sources': ['%(version)s.tar.gz'],
- 'checksums': ['ca5315142d0b3690a07fc12ea147c404a05ed75f9552ce7f563f833cf8832b58'],
+ 'checksums': ['5dbccd6e05d09a547a6d70e137ed626f514ac29623d4557799b076f7db04b0a5'],
}),
]
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0-foss-2022a-CUDA-11.7.eb b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0-foss-2022a-CUDA-11.7.eb
new file mode 100644
index 0000000000000000000000000000000000000000..a7347f45536d400834abb7f705036277d411b9bd
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0-foss-2022a-CUDA-11.7.eb
@@ -0,0 +1,231 @@
+easyblock = 'PythonBundle'
+
+name = 'TensorFlow'
+version = '2.11.0'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://www.tensorflow.org/'
+description = "An open-source software library for Machine Intelligence"
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+builddependencies = [
+ ('Bazel', '5.1.1'),
+ ('protobuf', '3.19.4'),
+ # git 2.x required, see also https://github.com/tensorflow/tensorflow/issues/29053
+ ('git', '2.36.0', '-nodocs'),
+ ('pybind11', '2.9.2'),
+ ('UnZip', '6.0'),
+ ('LLVM', '14.0.3'), # for debugging with llvm-symbolizer, to be removed
+]
+dependencies = [
+ ('CUDA', '11.7', '', SYSTEM),
+ ('cuDNN', '8.6.0.163', versionsuffix, SYSTEM),
+ ('NCCL', 'default', versionsuffix),
+ ('Python', '3.10.4'),
+ ('h5py', '3.7.0'),
+ ('cURL', '7.83.0'),
+ ('dill', '0.3.6'),
+ ('double-conversion', '3.2.0'),
+ ('flatbuffers', '2.0.7'),
+ ('giflib', '5.2.1'),
+ ('hwloc', '2.7.1'),
+ ('ICU', '71.1'),
+ ('JsonCpp', '1.9.5'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('LMDB', '0.9.29'),
+ ('NASM', '2.15.05'),
+ ('nsync', '1.25.0'),
+ ('SQLite', '3.38.3'),
+ ('protobuf-python', '3.19.4'),
+ ('libpng', '1.6.37'),
+ ('snappy', '1.1.9'),
+ ('zlib', '1.2.12'),
+ ('networkx', '2.8.4', '', ('gcccoremkl', '11.3.0-2022.1.0')), # required for pythran
+]
+
+use_pip = True
+sanity_pip_check = True
+
+# Dependencies created and updated using findPythonDeps.sh:
+# https://gist.github.com/Flamefire/49426e502cd8983757bd01a08a10ae0d
+exts_list = [
+ ('wrapt', '1.14.1', {
+ 'checksums': ['380a85cf89e0e69b7cfbe2ea9f765f004ff419f34194018a6827ac0e3edfed4d'],
+ }),
+ ('termcolor', '1.1.0', {
+ 'checksums': ['1d6d69ce66211143803fbc56652b41d73b4a400a2891d7bf7a1cdf4c02de613b'],
+ }),
+ ('tensorflow-estimator', version, {
+ 'source_tmpl': 'tensorflow_estimator-%(version)s-py2.py3-none-any.whl',
+ 'checksums': ['ea3b64acfff3d9a244f06178c9bdedcbdd3f125b67d0888dba8229498d06468b'],
+ }),
+ ('Werkzeug', '2.2.2', {
+ 'checksums': ['7ea2d48322cc7c0f8b3a215ed73eabd7b5d75d0b50e31ab006286ccff9e00b8f'],
+ }),
+ ('tensorboard-plugin-wit', '1.8.1', {
+ 'source_tmpl': 'tensorboard_plugin_wit-%(version)s-py3-none-any.whl',
+ 'checksums': ['ff26bdd583d155aa951ee3b152b3d0cffae8005dc697f72b44a8e8c2a77a8cbe'],
+ }),
+ ('tensorboard-data-server', '0.6.1', {
+ 'source_tmpl': 'tensorboard_data_server-%(version)s-py3-none-any.whl',
+ 'checksums': ['809fe9887682d35c1f7d1f54f0f40f98bb1f771b14265b453ca051e2ce58fca7'],
+ }),
+ ('Markdown', '3.4.1', {
+ 'checksums': ['3b809086bb6efad416156e00a0da66fe47618a5d6918dd688f53f40c8e4cfeff'],
+ }),
+ ('grpcio', '1.51.1', {
+ 'modulename': 'grpc',
+ 'preinstallopts': "export GRPC_PYTHON_BUILD_EXT_COMPILER_JOBS=%(parallel)s && ",
+ 'checksums': ['e6dfc2b6567b1c261739b43d9c59d201c1b89e017afd9e684d85aa7a186c9f7a'],
+ }),
+ ('oauthlib', '3.2.2', {
+ 'checksums': ['9859c40929662bec5d64f34d01c99e093149682a3f38915dc0655d5a633dd918'],
+ }),
+ ('requests-oauthlib', '1.3.1', {
+ 'checksums': ['75beac4a47881eeb94d5ea5d6ad31ef88856affe2332b9aafb52c6452ccf0d7a'],
+ }),
+ ('rsa', '4.9', {
+ 'checksums': ['e38464a49c6c85d7f1351b0126661487a7e0a14a50f1675ec50eb34d4f20ef21'],
+ }),
+ ('pyasn1-modules', '0.2.8', {
+ 'checksums': ['905f84c712230b2c592c19470d3ca8d552de726050d1d1716282a1f6146be65e'],
+ }),
+ ('cachetools', '5.2.1', {
+ 'checksums': ['5991bc0e08a1319bb618d3195ca5b6bc76646a49c21d55962977197b301cc1fe'],
+ }),
+ ('google-auth', '2.16.0', {
+ 'modulename': 'google.auth',
+ 'checksums': ['ed7057a101af1146f0554a769930ac9de506aeca4fd5af6543ebe791851a9fbd'],
+ }),
+ ('google-auth-oauthlib', '0.4.6', {
+ 'checksums': ['a90a072f6993f2c327067bf65270046384cda5a8ecb20b94ea9a687f1f233a7a'],
+ }),
+ ('absl-py', '1.4.0', {
+ 'modulename': 'absl',
+ 'checksums': ['d2c244d01048ba476e7c080bd2c6df5e141d211de80223460d5b3b8a2a58433d'],
+ }),
+ ('tensorboard', '2.11.1', {
+ 'source_tmpl': '%(name)s-%(version)s-py3-none-any.whl',
+ 'checksums': ['0c7529f3f43691e8cc2ece8e564c2e103c51ade317c6af626d415239b5088018'],
+ }),
+ ('opt-einsum', '3.3.0', {
+ 'source_tmpl': 'opt_einsum-%(version)s.tar.gz',
+ 'checksums': ['59f6475f77bbc37dcf7cd748519c0ec60722e91e63ca114e68821c0c54a46549'],
+ }),
+ ('keras', version, {
+ 'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl',
+ 'checksums': ['38c6fff0ea9a8b06a2717736565c92a73c8cd9b1c239e7125ccb188b7848f65e'],
+ }),
+ ('google-pasta', '0.2.0', {
+ 'modulename': 'pasta',
+ 'checksums': ['c9f2c8dfc8f96d0d5808299920721be30c9eec37f2389f28904f454565c8a16e'],
+ }),
+ ('astunparse', '1.6.3', {
+ 'checksums': ['5ad93a8456f0d084c3456d059fd9a92cce667963232cbf763eac3bc5b7940872'],
+ }),
+ ('gast', '0.4.0', {
+ 'checksums': ['40feb7b8b8434785585ab224d1568b857edb18297e5a3047f1ba012bc83b42c1'],
+ }),
+ ('beniget', '0.3.0', {
+ 'checksums': ['062c893be9cdf87c3144fb15041cce4d81c67107c1591952cd45fdce789a0ff1'],
+ }),
+ ('pythran', '0.9.11', {
+ 'checksums': ['a317f91e2aade9f6550dc3bf40b5caeb45b7e012daf27e2b3e4ad928edb01667'],
+ }),
+ ('portpicker', '1.5.2', {
+ 'checksums': ['c55683ad725f5c00a41bc7db0225223e8be024b1fa564d039ed3390e4fd48fb3'],
+ }),
+ ('tblib', '1.7.0', {
+ 'checksums': ['059bd77306ea7b419d4f76016aef6d7027cc8a0785579b5aad198803435f882c'],
+ }),
+ ('astor', '0.8.1', {
+ 'checksums': ['6a6effda93f4e1ce9f618779b2dd1d9d84f1e32812c23a29b3fff6fd7f63fa5e'],
+ }),
+ ('gviz-api', '1.10.0', {
+ 'source_tmpl': 'gviz_api-%(version)s.tar.gz',
+ 'checksums': ['846692dd8cc73224fc31b18e41589bd934e1cc05090c6576af4b4b26c2e71b90'],
+ }),
+ ('tensorboard-plugin-profile', '2.11.1', {
+ 'source_tmpl': 'tensorboard_plugin_profile-%(version)s.tar.gz',
+ 'checksums': ['7a97c02d502fde98a0336aadcab15b37169744d5bf6966af7d576c7a3f0a89f4'],
+ }),
+ (name, version, {
+ 'patches': [
+ '%(name)s-2.4.0_dont-use-var-lock.patch',
+ '%(name)s-2.5.0-fix-alias-violation-in-absl.patch',
+ '%(name)s-2.5.0_fix-crash-on-shutdown.patch',
+ '%(name)s-2.8.4_exclude-xnnpack-on-ppc.patch',
+ '%(name)s-2.8.4_resolve-gcc-symlinks.patch',
+ '%(name)s-2.9.1_remove-duplicate-gpu-tests.patch',
+ '%(name)s-%(version)s_disable-avx512-extensions.patch',
+ '%(name)s-%(version)s_fix-eigen-atan-on-PPC.patch',
+ '%(name)s-%(version)s_fix-eigen-gemm-on-PPC.patch',
+ '%(name)s-%(version)s_fix-link-error.patch',
+ '%(name)s-%(version)s_remove-libclang-and-io-gcs-deps.patch',
+ ('tensorboard-2.11.1-jupyter.fix', 'tools'),
+ ],
+ 'source_tmpl': 'v%(version)s.tar.gz',
+ 'source_urls': ['https://github.com/tensorflow/tensorflow/archive/'],
+ 'test_script': 'TensorFlow-2.x_mnist-test.py',
+ 'test_tag_filters_cpu': '-gpu,-tpu,-no_cuda_on_cpu_tap,-no_pip,-no_oss,-oss_serial,-benchmark-test,-v1only',
+ 'test_tag_filters_gpu': "gpu,-no_gpu,-nogpu,-gpu_cupti, \
+ -no_cuda11,-no_pip,-no_oss,-oss_serial,-benchmark-test,-v1only",
+ 'test_targets': [
+ '//tensorflow/core/...',
+ '-//tensorflow/core:example_java_proto',
+ '-//tensorflow/core/example:example_protos_closure',
+ '//tensorflow/cc/...',
+ '//tensorflow/c/...',
+ '//tensorflow/python/...',
+ '-//tensorflow/c/eager:c_api_test_gpu',
+ '-//tensorflow/c/eager:c_api_distributed_test',
+ '-//tensorflow/c/eager:c_api_distributed_test_gpu',
+ '-//tensorflow/c/eager:c_api_cluster_test_gpu',
+ '-//tensorflow/c/eager:c_api_remote_function_test_gpu',
+ '-//tensorflow/c/eager:c_api_remote_test_gpu',
+ '-//tensorflow/core/common_runtime:collective_param_resolver_local_test',
+ '-//tensorflow/core/common_runtime:mkl_layout_pass_test',
+ '-//tensorflow/core/kernels/mkl:mkl_fused_ops_test',
+ '-//tensorflow/core/kernels/mkl:mkl_fused_batch_norm_op_test',
+ '-//tensorflow/core/ir/importexport/tests/roundtrip/...',
+ ],
+ 'testopts': "--test_timeout=3600 --test_size_filters=small",
+ 'testopts_gpu': "--test_timeout=3600 --test_size_filters=small \
+ --run_under=//tensorflow/tools/ci_build/gpu_build:parallel_gpu_execute",
+ 'with_xla': True,
+ 'checksums': [
+ {'v2.11.0.tar.gz': '99c732b92b1b37fc243a559e02f9aef5671771e272758aa4aec7f34dc92dac48'},
+ {'TensorFlow-2.4.0_dont-use-var-lock.patch':
+ 'b14f2493fd2edf79abd1c4f2dde6c98a3e7d5cb9c25ab9386df874d5f072d6b5'},
+ {'TensorFlow-2.5.0-fix-alias-violation-in-absl.patch':
+ '12454fda3330fb45cd380377e283f04488b40e0b8ae7378e786ddf731a581f75'},
+ {'TensorFlow-2.5.0_fix-crash-on-shutdown.patch':
+ '578c7493221ebd3dc25ca43d63a72cbb28fdf4112b1e2baa7390f25781bd78fd'},
+ {'TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch':
+ 'ebd404ac56cc4ca662483f1f591e62e11749361be57a7ba5f4b2f0d03e829884'},
+ {'TensorFlow-2.8.4_resolve-gcc-symlinks.patch':
+ '43ce9acc6bffff68a31d2263d0064d272999b2e0a2c6546690287cd1c9c90f04'},
+ {'TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch':
+ '6fe50faab28387c622c68dc3fc0cbfb2a51000cd750c1a82f8420b54fcd2509f'},
+ {'TensorFlow-2.11.0_disable-avx512-extensions.patch':
+ 'fb8e7694b5d2377cc44e6674ff85a7c50dc725f2f507cbcfda65f129f534b1cc'},
+ {'TensorFlow-2.11.0_fix-eigen-atan-on-PPC.patch':
+ 'd9f4779f72ffd2c5f9c5da0a7735328dd25756515edccf603087dba2bf4d1612'},
+ {'TensorFlow-2.11.0_fix-eigen-gemm-on-PPC.patch':
+ '4f18ff0563b0ef8556904db1bb4974f8068bf0d2ee1effb24e0c779eb32517e3'},
+ {'TensorFlow-2.11.0_fix-link-error.patch':
+ '0a2f5c9c5be425f305bdc08f5a5ffce210e66f6ad4120d94ea0209246fc0449f'},
+ {'TensorFlow-2.11.0_remove-libclang-and-io-gcs-deps.patch':
+ '21d5723ab4e9a3be349cf3d57bb55cbe43e28785a8c8b19c52cee9dcc4dcf0de'},
+ {'tensorboard-2.11.1-jupyter.fix':
+ '8a1c3bf40880f8522bcfe6849604bb2084e8c7a4526c035f617795138a405ff7'},
+ ],
+ }),
+]
+
+postinstallcmds = [
+ 'patch -p0 -d %(installdir)s < %(builddir)s/TensorFlow/tensorflow-%(version)s/tools/tensorboard-2.11.1-jupyter.fix']
+
+moduleclass = 'lib'
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0-gcccoremkl-11.3.0-2022.1.0-CUDA-11.7.eb b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0-gcccoremkl-11.3.0-2022.1.0-CUDA-11.7.eb
new file mode 100644
index 0000000000000000000000000000000000000000..17c8e10eb126320520c2d12524f70e20c6297ce8
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0-gcccoremkl-11.3.0-2022.1.0-CUDA-11.7.eb
@@ -0,0 +1,232 @@
+# This file is part of JSC's public easybuild repository (https://github.com/easybuilders/jsc)
+easyblock = 'PythonBundle'
+
+name = 'TensorFlow'
+version = '2.11.0'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://www.tensorflow.org/'
+description = "An open-source software library for Machine Intelligence"
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+toolchainopts = {'pic': True}
+
+builddependencies = [
+ ('Bazel', '5.1.1'),
+ ('protobuf', '3.19.4'),
+ # git 2.x required, see also https://github.com/tensorflow/tensorflow/issues/29053
+ ('git', '2.36.0', '-nodocs'),
+ ('pybind11', '2.9.2'),
+ ('UnZip', '6.0'),
+ ('LLVM', '14.0.3'), # for debugging with llvm-symbolizer, to be removed
+]
+dependencies = [
+ ('CUDA', '11.7', '', SYSTEM),
+ ('cuDNN', '8.6.0.163', versionsuffix, SYSTEM),
+ ('NCCL', 'default', versionsuffix),
+ ('Python', '3.10.4'),
+ ('h5py', '3.7.0', '-serial'),
+ ('cURL', '7.83.0'),
+ ('dill', '0.3.6'),
+ ('double-conversion', '3.2.0'),
+ ('flatbuffers', '2.0.7'),
+ ('giflib', '5.2.1'),
+ ('hwloc', '2.7.1'),
+ ('ICU', '71.1'),
+ ('JsonCpp', '1.9.5'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('LMDB', '0.9.29'),
+ ('NASM', '2.15.05'),
+ ('nsync', '1.25.0'),
+ ('SQLite', '3.38.3'),
+ ('protobuf-python', '3.19.4'),
+ ('libpng', '1.6.37'),
+ ('snappy', '1.1.9'),
+ ('zlib', '1.2.12'),
+ ('networkx', '2.8.4', '', ('gcccoremkl', '11.3.0-2022.1.0')), # required for pythran
+]
+
+use_pip = True
+sanity_pip_check = True
+
+# Dependencies created and updated using findPythonDeps.sh:
+# https://gist.github.com/Flamefire/49426e502cd8983757bd01a08a10ae0d
+exts_list = [
+ ('wrapt', '1.14.1', {
+ 'checksums': ['380a85cf89e0e69b7cfbe2ea9f765f004ff419f34194018a6827ac0e3edfed4d'],
+ }),
+ ('termcolor', '1.1.0', {
+ 'checksums': ['1d6d69ce66211143803fbc56652b41d73b4a400a2891d7bf7a1cdf4c02de613b'],
+ }),
+ ('tensorflow-estimator', version, {
+ 'source_tmpl': 'tensorflow_estimator-%(version)s-py2.py3-none-any.whl',
+ 'checksums': ['ea3b64acfff3d9a244f06178c9bdedcbdd3f125b67d0888dba8229498d06468b'],
+ }),
+ ('Werkzeug', '2.2.2', {
+ 'checksums': ['7ea2d48322cc7c0f8b3a215ed73eabd7b5d75d0b50e31ab006286ccff9e00b8f'],
+ }),
+ ('tensorboard-plugin-wit', '1.8.1', {
+ 'source_tmpl': 'tensorboard_plugin_wit-%(version)s-py3-none-any.whl',
+ 'checksums': ['ff26bdd583d155aa951ee3b152b3d0cffae8005dc697f72b44a8e8c2a77a8cbe'],
+ }),
+ ('tensorboard-data-server', '0.6.1', {
+ 'source_tmpl': 'tensorboard_data_server-%(version)s-py3-none-any.whl',
+ 'checksums': ['809fe9887682d35c1f7d1f54f0f40f98bb1f771b14265b453ca051e2ce58fca7'],
+ }),
+ ('Markdown', '3.4.1', {
+ 'checksums': ['3b809086bb6efad416156e00a0da66fe47618a5d6918dd688f53f40c8e4cfeff'],
+ }),
+ ('grpcio', '1.51.1', {
+ 'modulename': 'grpc',
+ 'preinstallopts': "export GRPC_PYTHON_BUILD_EXT_COMPILER_JOBS=%(parallel)s && ",
+ 'checksums': ['e6dfc2b6567b1c261739b43d9c59d201c1b89e017afd9e684d85aa7a186c9f7a'],
+ }),
+ ('oauthlib', '3.2.2', {
+ 'checksums': ['9859c40929662bec5d64f34d01c99e093149682a3f38915dc0655d5a633dd918'],
+ }),
+ ('requests-oauthlib', '1.3.1', {
+ 'checksums': ['75beac4a47881eeb94d5ea5d6ad31ef88856affe2332b9aafb52c6452ccf0d7a'],
+ }),
+ ('rsa', '4.9', {
+ 'checksums': ['e38464a49c6c85d7f1351b0126661487a7e0a14a50f1675ec50eb34d4f20ef21'],
+ }),
+ ('pyasn1-modules', '0.2.8', {
+ 'checksums': ['905f84c712230b2c592c19470d3ca8d552de726050d1d1716282a1f6146be65e'],
+ }),
+ ('cachetools', '5.2.1', {
+ 'checksums': ['5991bc0e08a1319bb618d3195ca5b6bc76646a49c21d55962977197b301cc1fe'],
+ }),
+ ('google-auth', '2.16.0', {
+ 'modulename': 'google.auth',
+ 'checksums': ['ed7057a101af1146f0554a769930ac9de506aeca4fd5af6543ebe791851a9fbd'],
+ }),
+ ('google-auth-oauthlib', '0.4.6', {
+ 'checksums': ['a90a072f6993f2c327067bf65270046384cda5a8ecb20b94ea9a687f1f233a7a'],
+ }),
+ ('absl-py', '1.4.0', {
+ 'modulename': 'absl',
+ 'checksums': ['d2c244d01048ba476e7c080bd2c6df5e141d211de80223460d5b3b8a2a58433d'],
+ }),
+ ('tensorboard', '2.11.1', {
+ 'source_tmpl': '%(name)s-%(version)s-py3-none-any.whl',
+ 'checksums': ['0c7529f3f43691e8cc2ece8e564c2e103c51ade317c6af626d415239b5088018'],
+ }),
+ ('opt-einsum', '3.3.0', {
+ 'source_tmpl': 'opt_einsum-%(version)s.tar.gz',
+ 'checksums': ['59f6475f77bbc37dcf7cd748519c0ec60722e91e63ca114e68821c0c54a46549'],
+ }),
+ ('keras', version, {
+ 'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl',
+ 'checksums': ['38c6fff0ea9a8b06a2717736565c92a73c8cd9b1c239e7125ccb188b7848f65e'],
+ }),
+ ('google-pasta', '0.2.0', {
+ 'modulename': 'pasta',
+ 'checksums': ['c9f2c8dfc8f96d0d5808299920721be30c9eec37f2389f28904f454565c8a16e'],
+ }),
+ ('astunparse', '1.6.3', {
+ 'checksums': ['5ad93a8456f0d084c3456d059fd9a92cce667963232cbf763eac3bc5b7940872'],
+ }),
+ ('gast', '0.4.0', {
+ 'checksums': ['40feb7b8b8434785585ab224d1568b857edb18297e5a3047f1ba012bc83b42c1'],
+ }),
+ ('beniget', '0.3.0', {
+ 'checksums': ['062c893be9cdf87c3144fb15041cce4d81c67107c1591952cd45fdce789a0ff1'],
+ }),
+ ('pythran', '0.9.11', {
+ 'checksums': ['a317f91e2aade9f6550dc3bf40b5caeb45b7e012daf27e2b3e4ad928edb01667'],
+ }),
+ ('portpicker', '1.5.2', {
+ 'checksums': ['c55683ad725f5c00a41bc7db0225223e8be024b1fa564d039ed3390e4fd48fb3'],
+ }),
+ ('tblib', '1.7.0', {
+ 'checksums': ['059bd77306ea7b419d4f76016aef6d7027cc8a0785579b5aad198803435f882c'],
+ }),
+ ('astor', '0.8.1', {
+ 'checksums': ['6a6effda93f4e1ce9f618779b2dd1d9d84f1e32812c23a29b3fff6fd7f63fa5e'],
+ }),
+ ('gviz-api', '1.10.0', {
+ 'source_tmpl': 'gviz_api-%(version)s.tar.gz',
+ 'checksums': ['846692dd8cc73224fc31b18e41589bd934e1cc05090c6576af4b4b26c2e71b90'],
+ }),
+ ('tensorboard-plugin-profile', '2.11.1', {
+ 'source_tmpl': 'tensorboard_plugin_profile-%(version)s.tar.gz',
+ 'checksums': ['7a97c02d502fde98a0336aadcab15b37169744d5bf6966af7d576c7a3f0a89f4'],
+ }),
+ (name, version, {
+ 'patches': [
+ '%(name)s-2.4.0_dont-use-var-lock.patch',
+ '%(name)s-2.5.0-fix-alias-violation-in-absl.patch',
+ '%(name)s-2.5.0_fix-crash-on-shutdown.patch',
+ '%(name)s-2.8.4_exclude-xnnpack-on-ppc.patch',
+ '%(name)s-2.8.4_resolve-gcc-symlinks.patch',
+ '%(name)s-2.9.1_remove-duplicate-gpu-tests.patch',
+ '%(name)s-%(version)s_disable-avx512-extensions.patch',
+ '%(name)s-%(version)s_fix-eigen-atan-on-PPC.patch',
+ '%(name)s-%(version)s_fix-eigen-gemm-on-PPC.patch',
+ '%(name)s-%(version)s_fix-link-error.patch',
+ '%(name)s-%(version)s_remove-libclang-and-io-gcs-deps.patch',
+ ('tensorboard-2.11.1-jupyter.fix', 'tools'),
+ ],
+ 'source_tmpl': 'v%(version)s.tar.gz',
+ 'source_urls': ['https://github.com/tensorflow/tensorflow/archive/'],
+ 'test_script': 'TensorFlow-2.x_mnist-test.py',
+ 'test_tag_filters_cpu': '-gpu,-tpu,-no_cuda_on_cpu_tap,-no_pip,-no_oss,-oss_serial,-benchmark-test,-v1only',
+ 'test_tag_filters_gpu': "gpu,-no_gpu,-nogpu,-gpu_cupti, \
+ -no_cuda11,-no_pip,-no_oss,-oss_serial,-benchmark-test,-v1only",
+ 'test_targets': [
+ '//tensorflow/core/...',
+ '-//tensorflow/core:example_java_proto',
+ '-//tensorflow/core/example:example_protos_closure',
+ '//tensorflow/cc/...',
+ '//tensorflow/c/...',
+ '//tensorflow/python/...',
+ '-//tensorflow/c/eager:c_api_test_gpu',
+ '-//tensorflow/c/eager:c_api_distributed_test',
+ '-//tensorflow/c/eager:c_api_distributed_test_gpu',
+ '-//tensorflow/c/eager:c_api_cluster_test_gpu',
+ '-//tensorflow/c/eager:c_api_remote_function_test_gpu',
+ '-//tensorflow/c/eager:c_api_remote_test_gpu',
+ '-//tensorflow/core/common_runtime:collective_param_resolver_local_test',
+ '-//tensorflow/core/common_runtime:mkl_layout_pass_test',
+ '-//tensorflow/core/kernels/mkl:mkl_fused_ops_test',
+ '-//tensorflow/core/kernels/mkl:mkl_fused_batch_norm_op_test',
+ '-//tensorflow/core/ir/importexport/tests/roundtrip/...',
+ ],
+ 'testopts': "--test_timeout=3600 --test_size_filters=small",
+ 'testopts_gpu': "--test_timeout=3600 --test_size_filters=small \
+ --run_under=//tensorflow/tools/ci_build/gpu_build:parallel_gpu_execute",
+ 'with_xla': True,
+ 'checksums': [
+ {'v2.11.0.tar.gz': '99c732b92b1b37fc243a559e02f9aef5671771e272758aa4aec7f34dc92dac48'},
+ {'TensorFlow-2.4.0_dont-use-var-lock.patch':
+ 'b14f2493fd2edf79abd1c4f2dde6c98a3e7d5cb9c25ab9386df874d5f072d6b5'},
+ {'TensorFlow-2.5.0-fix-alias-violation-in-absl.patch':
+ '12454fda3330fb45cd380377e283f04488b40e0b8ae7378e786ddf731a581f75'},
+ {'TensorFlow-2.5.0_fix-crash-on-shutdown.patch':
+ '578c7493221ebd3dc25ca43d63a72cbb28fdf4112b1e2baa7390f25781bd78fd'},
+ {'TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch':
+ 'ebd404ac56cc4ca662483f1f591e62e11749361be57a7ba5f4b2f0d03e829884'},
+ {'TensorFlow-2.8.4_resolve-gcc-symlinks.patch':
+ '43ce9acc6bffff68a31d2263d0064d272999b2e0a2c6546690287cd1c9c90f04'},
+ {'TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch':
+ '6fe50faab28387c622c68dc3fc0cbfb2a51000cd750c1a82f8420b54fcd2509f'},
+ {'TensorFlow-2.11.0_disable-avx512-extensions.patch':
+ 'fb8e7694b5d2377cc44e6674ff85a7c50dc725f2f507cbcfda65f129f534b1cc'},
+ {'TensorFlow-2.11.0_fix-eigen-atan-on-PPC.patch':
+ 'd9f4779f72ffd2c5f9c5da0a7735328dd25756515edccf603087dba2bf4d1612'},
+ {'TensorFlow-2.11.0_fix-eigen-gemm-on-PPC.patch':
+ '4f18ff0563b0ef8556904db1bb4974f8068bf0d2ee1effb24e0c779eb32517e3'},
+ {'TensorFlow-2.11.0_fix-link-error.patch':
+ '0a2f5c9c5be425f305bdc08f5a5ffce210e66f6ad4120d94ea0209246fc0449f'},
+ {'TensorFlow-2.11.0_remove-libclang-and-io-gcs-deps.patch':
+ '21d5723ab4e9a3be349cf3d57bb55cbe43e28785a8c8b19c52cee9dcc4dcf0de'},
+ {'tensorboard-2.11.1-jupyter.fix':
+ '8a1c3bf40880f8522bcfe6849604bb2084e8c7a4526c035f617795138a405ff7'},
+ ],
+ }),
+]
+
+postinstallcmds = [
+ 'patch -p0 -d %(installdir)s < %(builddir)s/TensorFlow/tensorflow-%(version)s/tools/tensorboard-2.11.1-jupyter.fix']
+
+moduleclass = 'lib'
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_disable-avx512-extensions.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_disable-avx512-extensions.patch
new file mode 100644
index 0000000000000000000000000000000000000000..491872e541eab3c9ae1bb3ecabc6662be7496a27
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_disable-avx512-extensions.patch
@@ -0,0 +1,19 @@
+(Some of the) AVX512 extensions to Eigen introduced by TensorFlow are broken and return wrong values.
+So disable them for now to keep AVX512 in the other code parts working.
+See https://github.com/tensorflow/tensorflow/issues/49944
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/tensorflow/tsl/framework/fixedpoint/FixedPoint.h b/tensorflow/tsl/framework/fixedpoint/FixedPoint.h
+index bb3def15189..85affe89c54 100644
+--- a/tensorflow/tsl/framework/fixedpoint/FixedPoint.h
++++ b/tensorflow/tsl/framework/fixedpoint/FixedPoint.h
+@@ -20,7 +20,7 @@ limitations under the License.
+ #include "tensorflow/tsl/framework/fixedpoint_types.h"
+
+ // Use optimized implementations whenever available
+-#if defined(EIGEN_VECTORIZE_AVX512DQ) || defined(EIGEN_VECTORIZE_AVX512BW)
++#if 0
+ #include "tensorflow/tsl/framework/fixedpoint/PacketMathAVX512.h"
+ #include "tensorflow/tsl/framework/fixedpoint/TypeCastingAVX512.h"
+
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-eigen-atan-on-PPC.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-eigen-atan-on-PPC.patch
new file mode 100644
index 0000000000000000000000000000000000000000..3d57bed62cbb8e26988c603947ed0f4aa7b56c2a
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-eigen-atan-on-PPC.patch
@@ -0,0 +1,38 @@
+Fix compilation failure on PowerPC:
+external/eigen_archive/unsupported/Eigen/CXX11/../../../Eigen/src/Core/GenericPacketMath.h:862:67: error: no matching function for call to 'atan(const __vector(2) double&)'
+
+Add the upstream commit https://gitlab.com/libeigen/eigen/-/commit/886aad136111eeeb7604e1d17f62efcc4d824568
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/third_party/eigen3/disable-atan-on-ppc.patch b/third_party/eigen3/disable-atan-on-ppc.patch
+new file mode 100644
+index 00000000000..4614799b66a
+--- /dev/null
++++ b/third_party/eigen3/disable-atan-on-ppc.patch
+@@ -0,0 +1,13 @@
++diff --git a/Eigen/src/Core/arch/AltiVec/PacketMath.h b/Eigen/src/Core/arch/AltiVec/PacketMath.h
++index 37398de15..d9ddb5e35 100644
++--- a/Eigen/src/Core/arch/AltiVec/PacketMath.h
+++++ b/Eigen/src/Core/arch/AltiVec/PacketMath.h
++@@ -2708,7 +2708,7 @@ template<> struct packet_traits<double> : default_packet_traits
++ HasAbs = 1,
++ HasSin = 0,
++ HasCos = 0,
++- HasATan = 1,
+++ HasATan = 0,
++ HasLog = 0,
++ HasExp = 1,
++ HasSqrt = 1,
+diff --git a/third_party/eigen3/workspace.bzl b/third_party/eigen3/workspace.bzl
+index 91f471c3def..9fa96a38310 100644
+--- a/third_party/eigen3/workspace.bzl
++++ b/third_party/eigen3/workspace.bzl
+@@ -14,6 +14,7 @@ def repo():
+ tf_http_archive(
+ name = "eigen_archive",
+ build_file = "//third_party/eigen3:eigen_archive.BUILD",
++ patch_file = ["//third_party/eigen3:disable-atan-on-ppc.patch"],
+ sha256 = EIGEN_SHA256,
+ strip_prefix = "eigen-{commit}".format(commit = EIGEN_COMMIT),
+ urls = tf_mirror_urls("https://gitlab.com/libeigen/eigen/-/archive/{commit}/eigen-{commit}.tar.gz".format(commit = EIGEN_COMMIT)),
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-eigen-gemm-on-PPC.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-eigen-gemm-on-PPC.patch
new file mode 100644
index 0000000000000000000000000000000000000000..1cbf1a35a039c0bbd6c1fd1a334a53db5b712d68
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-eigen-gemm-on-PPC.patch
@@ -0,0 +1,72 @@
+Fix a SIGSEGV in e.g. //tensorflow/core/grappler/optimizers:arithmetic_optimizer_test_cpu
+See https://gitlab.com/libeigen/eigen/-/issues/2608
+
+fix-ppc-gemm.patch based on https://gitlab.com/libeigen/eigen/-/merge_requests/1208
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/third_party/eigen3/fix-ppc-gemm.patch b/third_party/eigen3/fix-ppc-gemm.patch
+new file mode 100644
+index 00000000000..c674c4b590e
+--- /dev/null
++++ b/third_party/eigen3/fix-ppc-gemm.patch
+@@ -0,0 +1,46 @@
++diff --git a/Eigen/src/Core/arch/AltiVec/MatrixProduct.h b/Eigen/src/Core/arch/AltiVec/MatrixProduct.h
++index 3b3b558..44f9e16 100644
++--- a/Eigen/src/Core/arch/AltiVec/MatrixProduct.h
+++++ b/Eigen/src/Core/arch/AltiVec/MatrixProduct.h
++@@ -1760,7 +1760,7 @@ EIGEN_ALWAYS_INLINE void gemm_cols(
++ gemm_cols<Scalar, Packet, DataMapper, N, accCols>(res, blockA, blockB, depth, strideA, offsetA, strideB, offsetB, col, rows, remaining_rows, pAlpha, pMask);
++
++ template<typename Scalar, typename Packet, typename DataMapper, const Index accCols>
++-EIGEN_STRONG_INLINE void gemm_extra_cols(
+++EIGEN_ALWAYS_INLINE void gemm_extra_cols(
++ const DataMapper& res,
++ const Scalar* blockA,
++ const Scalar* blockB,
++@@ -2194,7 +2194,7 @@ EIGEN_ALWAYS_INLINE void gemm_complex_cols(
++ gemm_complex_cols<Scalar, Packet, Packetc, DataMapper, N, accCols, ConjugateLhs, ConjugateRhs, LhsIsReal, RhsIsReal>(res, blockA, blockB, depth, strideA, offsetA, strideB, offsetB, col, rows, remaining_rows, pAlphaReal, pAlphaImag, pMask);
++
++ template<typename Scalar, typename Packet, typename Packetc, typename DataMapper, const Index accCols, bool ConjugateLhs, bool ConjugateRhs, bool LhsIsReal, bool RhsIsReal>
++-EIGEN_STRONG_INLINE void gemm_complex_extra_cols(
+++EIGEN_ALWAYS_INLINE void gemm_complex_extra_cols(
++ const DataMapper& res,
++ const Scalar* blockA,
++ const Scalar* blockB,
++diff --git a/Eigen/src/Core/arch/AltiVec/MatrixProductCommon.h b/Eigen/src/Core/arch/AltiVec/MatrixProductCommon.h
++index 28868ca..1ac6629 100644
++--- a/Eigen/src/Core/arch/AltiVec/MatrixProductCommon.h
+++++ b/Eigen/src/Core/arch/AltiVec/MatrixProductCommon.h
++@@ -30,8 +30,8 @@ EIGEN_ALWAYS_INLINE void gemm_extra_row(
++ const Packet& pAlpha,
++ const Packet& pMask);
++
++-template<typename Scalar, typename Packet, typename DataMapper, const Index accCols, bool ConjugateLhs, bool ConjugateRhs, bool LhsIsReal, bool RhsIsReal>
++-EIGEN_STRONG_INLINE void gemm_extra_cols(
+++template<typename Scalar, typename Packet, typename DataMapper, const Index accCols>
+++EIGEN_ALWAYS_INLINE void gemm_extra_cols(
++ const DataMapper& res,
++ const Scalar* blockA,
++ const Scalar* blockB,
++@@ -67,7 +67,7 @@ EIGEN_ALWAYS_INLINE void gemm_complex_extra_row(
++ const Packet& pMask);
++
++ template<typename Scalar, typename Packet, typename Packetc, typename DataMapper, const Index accCols, bool ConjugateLhs, bool ConjugateRhs, bool LhsIsReal, bool RhsIsReal>
++-EIGEN_STRONG_INLINE void gemm_complex_extra_cols(
+++EIGEN_ALWAYS_INLINE void gemm_complex_extra_cols(
++ const DataMapper& res,
++ const Scalar* blockA,
++ const Scalar* blockB,
+diff --git a/third_party/eigen3/workspace.bzl b/third_party/eigen3/workspace.bzl
+index 6c8744aeec4..2a2a7b474c9 100644
+--- a/third_party/eigen3/workspace.bzl
++++ b/third_party/eigen3/workspace.bzl
+@@ -14,7 +14,7 @@ def repo():
+ tf_http_archive(
+ name = "eigen_archive",
+ build_file = "//third_party/eigen3:eigen_archive.BUILD",
+- patch_file = ["//third_party/eigen3:disable-atan-on-ppc.patch"],
++ patch_file = ["//third_party/eigen3:disable-atan-on-ppc.patch", "//third_party/eigen3:fix-ppc-gemm.patch"],
+ sha256 = EIGEN_SHA256,
+ strip_prefix = "eigen-{commit}".format(commit = EIGEN_COMMIT),
+ urls = tf_mirror_urls("https://gitlab.com/libeigen/eigen/-/archive/{commit}/eigen-{commit}.tar.gz".format(commit = EIGEN_COMMIT)),
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-link-error.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-link-error.patch
new file mode 100644
index 0000000000000000000000000000000000000000..a492897700d35a01a0f87f041bb637992dce5992
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_fix-link-error.patch
@@ -0,0 +1,39 @@
+Fix errors during build such as
+Traceback (most recent call last):
+ File "/bazel-root/21e00dc5c04b924b70ed7bedd0c3533e/execroot/org_tensorflow/bazel-out/ppc-opt/bin/tensorflow/create_tensorflow.python_api_tf_python_api_gen_v2.runfiles/org_tensorflow/tensorflow/python/pywrap_tensorflow.py", line 62, in <module>
+ from tensorflow.python._pywrap_tensorflow_internal import *
+ImportError: /bazel-root/21e00dc5c04b924b70ed7bedd0c3533e/execroot/org_tensorflow/bazel-out/ppc-opt/bin/tensorflow/create_tensorflow.python_api_tf_python_api_gen_v2.runfiles/org_tensorflow/tensorflow/python/_pywrap_tensorflow_internal.so: undefined symbol: LLVMInitializePowerPCAsmParser
+
+See https://github.com/tensorflow/tensorflow/pull/59326
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/tensorflow/compiler/xla/mlir/transforms/runtime/BUILD b/tensorflow/compiler/xla/mlir/transforms/runtime/BUILD
+index 587d4b184c0..5ff10743cf8 100644
+--- a/tensorflow/compiler/xla/mlir/transforms/runtime/BUILD
++++ b/tensorflow/compiler/xla/mlir/transforms/runtime/BUILD
+@@ -250,7 +250,23 @@ cc_library(
+ "@llvm-project//mlir:Parser",
+ "@llvm-project//mlir:Pass",
+ "@llvm-project//mlir:ToLLVMIRTranslation",
+- ],
++ ] + select({
++ "//tensorflow:arm_any": [
++ "@llvm-project//llvm:AArch64AsmParser",
++ ],
++ "//tensorflow:linux_ppc64le": [
++ "@llvm-project//llvm:PowerPCAsmParser",
++ ],
++ "//tensorflow:macos_arm64": [
++ "@llvm-project//llvm:AArch64AsmParser",
++ ],
++ "//tensorflow:linux_s390x": [
++ "@llvm-project//llvm:SystemZAsmParser",
++ ],
++ "//conditions:default": [
++ "@llvm-project//llvm:X86AsmParser",
++ ],
++ }),
+ )
+
+ cc_library(
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_remove-libclang-and-io-gcs-deps.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_remove-libclang-and-io-gcs-deps.patch
new file mode 100644
index 0000000000000000000000000000000000000000..77b9f524938d5e6773ff3787edaf8b0694903e41
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.11.0_remove-libclang-and-io-gcs-deps.patch
@@ -0,0 +1,38 @@
+This combines two patches from TensorFlow 2.7.1.
+
+tensorflow-io-gcs-filesystem is not available as a binary for all architectures and
+building it requires TensorFlow to be installed, i.e. there is a cyclic dependency.
+As it is not actually required (but optional) remove it from `REQUIRED_PACKAGES`.
+See https://github.com/tensorflow/tensorflow/issues/56636
+
+libclang was introduced in
+https://github.com/tensorflow/tensorflow/commit/c211472000ff57bac7fcec9b0465cf73b37bf135
+> This is in preparation to open-source TF's TFRT backend.
+> TFRT generates code using libclang python bindings as part of the build.
+Hence it is not currently used and as it is not (easily) available for all architectures
+simply remove it.
+
+Patch added by Simon Branford (University of Birmingham)
+Updated by Alexander Grund (TU Dresden)
+
+diff --git a/tensorflow/tools/pip_package/setup.py b/tensorflow/tools/pip_package/setup.py
+index 74a1962c334..e8f6eabe4a6 100644
+--- a/tensorflow/tools/pip_package/setup.py
++++ b/tensorflow/tools/pip_package/setup.py
+@@ -88,7 +88,6 @@ REQUIRED_PACKAGES = [
+ 'gast >= 0.2.1, <= 0.4.0',
+ 'google_pasta >= 0.1.1',
+ 'h5py >= 2.9.0',
+- 'libclang >= 13.0.0',
+ 'numpy >= 1.20',
+ 'opt_einsum >= 2.3.2',
+ 'packaging',
+@@ -105,8 +104,6 @@ REQUIRED_PACKAGES = [
+ 'termcolor >= 1.1.0',
+ 'typing_extensions >= 3.6.6',
+ 'wrapt >= 1.11.0',
+- 'tensorflow-io-gcs-filesystem >= 0.23.1;platform_machine!="arm64" or ' +
+- 'platform_system!="Darwin"',
+ # grpcio does not build correctly on big-endian machines due to lack of
+ # BoringSSL support.
+ # See https://github.com/tensorflow/tensorflow/issues/17882.
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.4.0_dont-use-var-lock.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.4.0_dont-use-var-lock.patch
new file mode 100644
index 0000000000000000000000000000000000000000..e33d0028a40a53df6315e7094ec2dce79256e5ce
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.4.0_dont-use-var-lock.patch
@@ -0,0 +1,37 @@
+diff --git a/tensorflow/tools/ci_build/gpu_build/parallel_gpu_execute.sh b/tensorflow/tools/ci_build/gpu_build/parallel_gpu_execute.sh
+index ee70f2f608b..ab5cbe7d7b5 100755
+--- a/tensorflow/tools/ci_build/gpu_build/parallel_gpu_execute.sh
++++ b/tensorflow/tools/ci_build/gpu_build/parallel_gpu_execute.sh
+@@ -53,7 +53,7 @@ TEST_BINARY="$(rlocation $TEST_WORKSPACE/${1#./})"
+ shift
+ # *******************************************************************
+
+-mkdir -p /var/lock
++mkdir -p /tmp/tf-test-lock
+ # Try to acquire any of the TF_GPU_COUNT * TF_TESTS_PER_GPU
+ # slots to run a test at.
+ #
+@@ -61,7 +61,7 @@ mkdir -p /var/lock
+ # So, we iterate over TF_TESTS_PER_GPU first.
+ for j in `seq 0 $((TF_TESTS_PER_GPU-1))`; do
+ for i in `seq 0 $((TF_GPU_COUNT-1))`; do
+- exec {lock_fd}>/var/lock/gpulock${i}_${j} || exit 1
++ exec {lock_fd}>/tmp/tf-test-lock/gpulock${i}_${j} || exit 1
+ if flock -n "$lock_fd";
+ then
+ (
+@@ -70,6 +70,7 @@ for j in `seq 0 $((TF_TESTS_PER_GPU-1))`; do
+ export CUDA_VISIBLE_DEVICES=$i
+ export HIP_VISIBLE_DEVICES=$i
+ echo "Running test $TEST_BINARY $* on GPU $CUDA_VISIBLE_DEVICES"
++ set +e
+ "$TEST_BINARY" $@
+ )
+ return_code=$?
+@@ -79,5 +80,5 @@ for j in `seq 0 $((TF_TESTS_PER_GPU-1))`; do
+ done
+ done
+
+-echo "Cannot find a free GPU to run the test $* on, exiting with failure..."
++echo "Cannot find a free GPU to run the test $TEST_BINARY $* on, exiting with failure..."
+ exit 1
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.5.0-fix-alias-violation-in-absl.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.5.0-fix-alias-violation-in-absl.patch
new file mode 100644
index 0000000000000000000000000000000000000000..427f7555ecbf9a8bb785cbf5678598e05f548a89
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.5.0-fix-alias-violation-in-absl.patch
@@ -0,0 +1,26 @@
+The behavior relied on by Abseil is unsupported by GCC and leads to misoptimizations.
+See https://github.com/tensorflow/tensorflow/issues/47179
+
+Author: Alexander Grund
+
+diff --git a/third_party/absl/com_google_absl_fix_mac_and_nvcc_build.patch b/third_party/absl/com_google_absl_fix_mac_and_nvcc_build.patch
+index 6301119ab2c..0b8b4838726 100644
+--- a/third_party/absl/com_google_absl_fix_mac_and_nvcc_build.patch
++++ b/third_party/absl/com_google_absl_fix_mac_and_nvcc_build.patch
+@@ -1,3 +1,16 @@
++diff --git a/absl/container/internal/container_memory.h b/absl/container/internal/container_memory.h
++index d24b0f8..f8847b5 100644
++--- a/absl/container/internal/container_memory.h
+++++ b/absl/container/internal/container_memory.h
++@@ -338,7 +338,7 @@ struct map_slot_policy {
++ // If pair<const K, V> and pair<K, V> are layout-compatible, we can accept one
++ // or the other via slot_type. We are also free to access the key via
++ // slot_type::key in this case.
++- using kMutableKeys = memory_internal::IsLayoutCompatible<K, V>;
+++ using kMutableKeys = std::false_type;
++
++ public:
++ static value_type& element(slot_type* slot) { return slot->value; }
+ diff --git a/absl/container/internal/compressed_tuple.h b/absl/container/internal/compressed_tuple.h
+ index 4bfe92f..01db713 100644
+ --- a/absl/container/internal/compressed_tuple.h
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.5.0_fix-arm-vector-intrinsics.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.5.0_fix-arm-vector-intrinsics.patch
new file mode 100644
index 0000000000000000000000000000000000000000..eaed0decf234248767ce6cf0270aec088384b41f
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.5.0_fix-arm-vector-intrinsics.patch
@@ -0,0 +1,42 @@
+Fix compile error on ARM:
+> ./tensorflow/lite/kernels/internal/optimized/depthwiseconv_3x3_filter_common.h:132:58: error: cannot convert 'int32x2_t' to 'int8x8_t'
+
+From https://github.com/tensorflow/tensorflow/pull/53782
+
+From 4463f25d1622d162f870ff685da20f2c6df5bc6a Mon Sep 17 00:00:00 2001
+From: Stephan Hartmann <stha09@googlemail.com>
+Date: Sat, 15 Jan 2022 21:06:27 +0100
+Subject: [PATCH] Fix casting in vdotq_four_lane_s32() in TFLite
+
+When building with GCC and dotprod ARM extension enabled,
+vreinterpret_s32_s8() casts int8x8_t to int32x2_t. However, third
+argument of vdotq_lane_s32() expects parameter of type int8x8_t.
+---
+ .../optimized/depthwiseconv_3x3_filter_common.h | 10 ++++------
+ 1 file changed, 4 insertions(+), 6 deletions(-)
+
+diff --git a/tensorflow/lite/kernels/internal/optimized/depthwiseconv_3x3_filter_common.h b/tensorflow/lite/kernels/internal/optimized/depthwiseconv_3x3_filter_common.h
+index 916edd561ff32..c519a81bc864d 100644
+--- a/tensorflow/lite/kernels/internal/optimized/depthwiseconv_3x3_filter_common.h
++++ b/tensorflow/lite/kernels/internal/optimized/depthwiseconv_3x3_filter_common.h
+@@ -129,16 +129,14 @@ inline int32x4_t vdotq_four_lane_s32(int32x4_t acc, int8x16_t lhs,
+ int8x16_t rhs, const int lane) {
+ switch (lane) {
+ case 0:
+- return vdotq_lane_s32(acc, lhs, vreinterpret_s32_s8(vget_low_s8(rhs)), 0);
++ return vdotq_lane_s32(acc, lhs, vget_low_s8(rhs), 0);
+ case 1:
+- return vdotq_lane_s32(acc, lhs, vreinterpret_s32_s8(vget_low_s8(rhs)), 1);
++ return vdotq_lane_s32(acc, lhs, vget_low_s8(rhs), 1);
+ case 2:
+- return vdotq_lane_s32(acc, lhs, vreinterpret_s32_s8(vget_high_s8(rhs)),
+- 0);
++ return vdotq_lane_s32(acc, lhs, vget_high_s8(rhs), 0);
+ case 3:
+ default:
+- return vdotq_lane_s32(acc, lhs, vreinterpret_s32_s8(vget_high_s8(rhs)),
+- 1);
++ return vdotq_lane_s32(acc, lhs, vget_high_s8(rhs), 1);
+ }
+ }
+
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch
new file mode 100644
index 0000000000000000000000000000000000000000..1a0938252be1b632f8e27e12e55e712fec868e65
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch
@@ -0,0 +1,18 @@
+XNNPACK is not supported on PowerPC so disable it by default.
+See https://github.com/tensorflow/tensorflow/issues/58768
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/tensorflow/lite/BUILD b/tensorflow/lite/BUILD
+index 198f949b341..d15dcf9a80d 100644
+--- a/tensorflow/lite/BUILD
++++ b/tensorflow/lite/BUILD
+@@ -709,6 +709,8 @@ cc_library(
+ deps = select({
+ "//tensorflow:macos": [],
+ "//tensorflow:fuchsia": [],
++ # XNNPACK is not supported on PPC
++ "//tensorflow:linux_ppc64le": [],
+ "//conditions:default": [":tflite_with_xnnpack_enabled"],
+ }),
+ )
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch
new file mode 100644
index 0000000000000000000000000000000000000000..42cdce7c9fd0cba69a35d5a4a4bae81d629c3499
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch
@@ -0,0 +1,28 @@
+Fix for "undeclared inclusion(s) in rule" errors when the installation directory
+for GCC is hosted in a path that is a symlink to another path.
+
+From https://github.com/tensorflow/tensorflow/pull/56360
+
+From b3a8fdbcb79e723f8d62f86bddcfdfb73fe76291 Mon Sep 17 00:00:00 2001
+From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
+Date: Sat, 4 Jun 2022 19:06:58 -0400
+Subject: [PATCH] resolve gcc_host_compiler_path in a symlink directory
+
+Resolves a missing dependency declarations error, when gcc_host_compiler_path is in a symlink directory resolving to other directories.
+---
+ configure.py | 2 +-
+ 1 file changed, 1 insertion(+), 1 deletion(-)
+
+diff --git a/configure.py b/configure.py
+index bf338bdda2297..77af09a22a05d 100644
+--- a/configure.py
++++ b/configure.py
+@@ -619,7 +619,7 @@ def prompt_loop_or_load_from_env(environ_cp,
+ 'Assuming to be a scripting mistake.' %
+ (var_name, n_ask_attempts))
+
+- if resolve_symlinks and os.path.islink(val):
++ if resolve_symlinks:
+ val = os.path.realpath(val)
+ environ_cp[var_name] = val
+ return val
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.9.1_fix-protobuf-include-def.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.9.1_fix-protobuf-include-def.patch
new file mode 100644
index 0000000000000000000000000000000000000000..790492e7152465e8101f019ba66f3de7f058438d
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.9.1_fix-protobuf-include-def.patch
@@ -0,0 +1,14 @@
+Fix an issue where google/protobuf/port_def.inc is not found.
+
+diff -ruN tensorflow-2.9.1_old/third_party/systemlibs/protobuf.BUILD tensorflow-2.9.1/third_party/systemlibs/protobuf.BUILD
+--- tensorflow-2.9.1_old/third_party/systemlibs/protobuf.BUILD 2022-11-10 16:57:13.649126750 +0100
++++ tensorflow-2.9.1/third_party/systemlibs/protobuf.BUILD 2022-11-10 17:00:42.548576599 +0100
+@@ -43,4 +43,6 @@
+ ],
+ ),
+ "wrappers": ("google/protobuf/wrappers.proto", []),
++ "port_def": ("google/protobuf/port_def.inc", []),
++ "coded_stream": ("google/protobuf/io/coded_stream.h", []),
+ }
+
+ RELATIVE_WELL_KNOWN_PROTOS = [proto[1][0] for proto in WELL_KNOWN_PROTO_MAP.items()]
\ No newline at end of file
diff --git a/Golden_Repo/t/TensorFlow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch b/Golden_Repo/t/TensorFlow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch
new file mode 100644
index 0000000000000000000000000000000000000000..7701d85e6126d2d6c66c97a2a3a23d1c1f176acd
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch
@@ -0,0 +1,55 @@
+TensorFlow adds some GPU tests twice increasing the runtime of the test suite.
+This filters out the test part meant for CPU.
+
+See https://github.com/tensorflow/tensorflow/issues/47081
+From https://github.com/tensorflow/tensorflow/pull/59129
+
+Author: Alexander Grund (TU Dresden)
+---
+ tensorflow/tensorflow.bzl | 33 +++++++++++++++++----------------
+ 1 file changed, 17 insertions(+), 16 deletions(-)
+
+diff --git a/tensorflow/tensorflow.bzl b/tensorflow/tensorflow.bzl
+index 649c8e22dcc95..d3fc0e3221497 100644
+--- a/tensorflow/tensorflow.bzl
++++ b/tensorflow/tensorflow.bzl
+@@ -1461,22 +1461,23 @@ def tf_gpu_cc_test(
+ linkopts = [],
+ **kwargs):
+ targets = []
+- tf_cc_test(
+- name = name,
+- size = size,
+- srcs = srcs,
+- args = args,
+- data = data,
+- extra_copts = extra_copts + if_cuda(["-DNV_CUDNN_DISABLE_EXCEPTION"]),
+- kernels = kernels,
+- linkopts = linkopts,
+- linkstatic = linkstatic,
+- suffix = "_cpu",
+- tags = tags,
+- deps = deps,
+- **kwargs
+- )
+- targets.append(name + "_cpu")
++ if 'gpu' not in tags:
++ tf_cc_test(
++ name = name,
++ size = size,
++ srcs = srcs,
++ args = args,
++ data = data,
++ extra_copts = extra_copts + if_cuda(["-DNV_CUDNN_DISABLE_EXCEPTION"]),
++ kernels = kernels,
++ linkopts = linkopts,
++ linkstatic = linkstatic,
++ suffix = "_cpu",
++ tags = tags,
++ deps = deps,
++ **kwargs
++ )
++ targets.append(name + "_cpu")
+ tf_cc_test(
+ name = name,
+ size = size,
diff --git a/Golden_Repo/t/TensorFlow/tensorboard-2.11.1-jupyter.fix b/Golden_Repo/t/TensorFlow/tensorboard-2.11.1-jupyter.fix
new file mode 100644
index 0000000000000000000000000000000000000000..e3d809144a593a1dfea65cc53b6fb61c734b7c40
--- /dev/null
+++ b/Golden_Repo/t/TensorFlow/tensorboard-2.11.1-jupyter.fix
@@ -0,0 +1,93 @@
+--- lib/python3.10/site-packages/tensorboard/notebook.py.orig 2022-04-04 15:13:24.242666542 +0200
++++ lib/python3.10/site-packages/tensorboard/notebook.py 2022-04-04 15:22:16.791830780 +0200
+@@ -34,6 +34,7 @@
+ # details).
+ _CONTEXT_COLAB = "_CONTEXT_COLAB"
+ _CONTEXT_IPYTHON = "_CONTEXT_IPYTHON"
++_CONTEXT_JUPYTERHUB = "_CONTEXT_JUPYTERHUB"
+ _CONTEXT_NONE = "_CONTEXT_NONE"
+
+
+@@ -70,11 +71,27 @@
+ else:
+ ipython = IPython.get_ipython()
+ if ipython is not None and ipython.has_trait("kernel"):
++ if os.environ.get("JUPYTERHUB_SERVICE_PREFIX") is not None:
++ return _CONTEXT_JUPYTERHUB
+ return _CONTEXT_IPYTHON
+
+ # Otherwise, we're not in a known notebook context.
+ return _CONTEXT_NONE
+
++def _prefix_jupyterhub(port):
++ prefix = os.path.join(os.environ["JUPYTERHUB_SERVICE_PREFIX"], 'proxy/absolute')
++ return "%s/%d/" % (prefix, port)
++
++
++def _patch_args_jupyterhub(parsed_args):
++ if "--port" in parsed_args:
++ arg_idx = parsed_args.index("--port")
++ port = int(parsed_args[arg_idx+1])
++ else:
++ port = 6006
++ parsed_args += ["--port", str(port)]
++ return parsed_args + ["--path_prefix", _prefix_jupyterhub(port)]
++
+
+ def load_ipython_extension(ipython):
+ """Deprecated: use `%load_ext tensorboard` instead.
+@@ -149,6 +166,9 @@
+ handle.update(IPython.display.Pretty(message))
+
+ parsed_args = shlex.split(args_string, comments=True, posix=True)
++ if context == _CONTEXT_JUPYTERHUB:
++ parsed_args = _patch_args_jupyterhub(parsed_args)
++
+ start_result = manager.start(parsed_args)
+
+ if isinstance(start_result, manager.StartLaunched):
+@@ -305,6 +325,7 @@
+ fn = {
+ _CONTEXT_COLAB: _display_colab,
+ _CONTEXT_IPYTHON: _display_ipython,
++ _CONTEXT_JUPYTERHUB: _display_jupyterhub,
+ _CONTEXT_NONE: _display_cli,
+ }[_get_context()]
+ return fn(port=port, height=height, display_handle=display_handle)
+@@ -401,6 +422,36 @@
+ for (k, v) in replacements:
+ shell = shell.replace(k, v)
+ iframe = IPython.display.HTML(shell)
++ if display_handle:
++ display_handle.update(iframe)
++ else:
++ IPython.display.display(iframe)
++
++
++def _display_jupyterhub(port, height, display_handle):
++ import IPython.display
++
++ frame_id = "tensorboard-frame-{:08x}".format(random.getrandbits(64))
++ shell = """
++ <iframe id="%HTML_ID%" width="100%" height="%HEIGHT%" frameborder="0">
++ </iframe>
++ <script>
++ (function() {
++ const frame = document.getElementById(%JSON_ID%);
++ const url = new URL("%PREFIX%", window.location);
++ frame.src = url;
++ })();
++ </script>
++ """
++ replacements = [
++ ("%HTML_ID%", html.escape(frame_id, quote=True)),
++ ("%JSON_ID%", json.dumps(frame_id)),
++ ("%PREFIX%", _prefix_jupyterhub(port)),
++ ("%HEIGHT%", "%d" % height),
++ ]
++ for (k, v) in replacements:
++ shell = shell.replace(k, v)
++ iframe = IPython.display.HTML(shell)
+ if display_handle:
+ display_handle.update(iframe)
+ else:
diff --git a/Golden_Repo/t/tensorboard/tensorboard-2.10.0-foss-2022a.eb b/Golden_Repo/t/tensorboard/tensorboard-2.11.2-foss-2022a.eb
similarity index 95%
rename from Golden_Repo/t/tensorboard/tensorboard-2.10.0-foss-2022a.eb
rename to Golden_Repo/t/tensorboard/tensorboard-2.11.2-foss-2022a.eb
index c4b18c5c9d02cb6fb8fb9f13e37551377fd804cc..ae0a7471ccd66ca691a50f1ff7bbb5f0e12097db 100644
--- a/Golden_Repo/t/tensorboard/tensorboard-2.10.0-foss-2022a.eb
+++ b/Golden_Repo/t/tensorboard/tensorboard-2.11.2-foss-2022a.eb
@@ -1,7 +1,7 @@
easyblock = 'PythonBundle'
name = 'tensorboard'
-version = '2.10.0'
+version = '2.11.2'
homepage = 'https://github.com/tensorflow/tensorboard'
description = """TensorBoard is a suite of web applications for inspecting and understanding your TensorFlow runs
@@ -63,7 +63,7 @@ exts_list = [
}),
(name, version, {
'source_tmpl': '%(name)s-%(version)s-py3-none-any.whl',
- 'checksums': ['76c91a5e8959cd2208cc32cb17a0cb002badabb66a06ac2af02a7810f49a59e3'],
+ 'checksums': ['cbaa2210c375f3af1509f8571360a19ccc3ded1d9641533414874b5deca47e89'],
}),
]
diff --git a/Golden_Repo/u/uftp/uftp-1.5.0.eb b/Golden_Repo/u/uftp/uftp-1.6.0.eb
similarity index 62%
rename from Golden_Repo/u/uftp/uftp-1.5.0.eb
rename to Golden_Repo/u/uftp/uftp-1.6.0.eb
index 91b9c31e1255108d531a5ffafaed507ec4c7841f..439c887f61b278a68b88db5f913db5743ef634d7 100644
--- a/Golden_Repo/u/uftp/uftp-1.5.0.eb
+++ b/Golden_Repo/u/uftp/uftp-1.6.0.eb
@@ -1,9 +1,9 @@
easyblock = 'Tarball'
name = 'uftp'
-version = '1.5.0'
+version = '1.6.0'
-homepage = 'https://unicore-dev.zam.kfa-juelich.de/documentation/uftpclient-%(version)s/uftpclient-manual.html'
+homepage = 'https://uftp-docs.readthedocs.io/en/latest/user-docs/uftp-client/'
description = """The UFTP standalone client provides high-performance file transfer."""
toolchain = SYSTEM
@@ -11,7 +11,7 @@ toolchain = SYSTEM
source_urls = [
'https://master.dl.sourceforge.net/project/unicore/Clients/UFTP-Client/%(version)s/']
sources = ['uftp-client-%(version)s-all.zip']
-checksums = ['05e405d13156a76a839997792053f80e6f8f545f8c4516a68968eea6845fe659']
+checksums = ['09cfc39cfe1162def95fc6066125d28e594cecdaedc016a46b91dd7462d6fa32']
dependencies = [
('Java', '11'),
@@ -22,8 +22,8 @@ postinstallcmds = [
]
modextravars = {
- 'UFTP_SHARE_URL': 'https://uftp.fz-juelich.de:7112/UFTP_Auth/rest/share/JUDAC',
- 'UFTP_JUDAC': 'https://uftp.fz-juelich.de:7112/UFTP_Auth/rest/auth/JUDAC:'
+ 'UFTP_SHARE_URL': 'https://uftp.fz-juelich.de:9112/UFTP_Auth/rest/share/JUDAC',
+ 'UFTP_JUDAC': 'https://uftp.fz-juelich.de:9112/UFTP_Auth/rest/auth/JUDAC:'
}
sanity_check_paths = {
diff --git a/Golden_Repo/u/uftp/uftp-1.6.1.eb b/Golden_Repo/u/uftp/uftp-1.6.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..25e092181371a3d23bd850b9a53e86dd41ddbe7e
--- /dev/null
+++ b/Golden_Repo/u/uftp/uftp-1.6.1.eb
@@ -0,0 +1,33 @@
+easyblock = 'Tarball'
+
+name = 'uftp'
+version = '1.6.1'
+
+homepage = 'https://uftp-docs.readthedocs.io/en/latest/user-docs/uftp-client/'
+description = """The UFTP standalone client provides high-performance file transfer."""
+
+toolchain = SYSTEM
+
+source_urls = [
+ 'https://master.dl.sourceforge.net/project/unicore/Clients/UFTP-Client/%(version)s/']
+sources = ['uftp-client-%(version)s-all.zip']
+checksums = ['0ef450c1c3db7d18a8bb35701b24f4d2549b04ce353dbe99ddbf02f522f82bc3']
+dependencies = [
+ ('Java', '11'),
+]
+
+postinstallcmds = [
+ 'chmod +x %(installdir)s/bin/uftp',
+]
+
+modextravars = {
+ 'UFTP_SHARE_URL': 'https://uftp.fz-juelich.de:9112/UFTP_Auth/rest/share/JUDAC',
+ 'UFTP_JUDAC': 'https://uftp.fz-juelich.de:9112/UFTP_Auth/rest/auth/JUDAC:'
+}
+
+sanity_check_paths = {
+ 'files': ['bin/uftp'],
+ 'dirs': ['bin'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/v/VMD/VMD-1.9.3_plugins.patch b/Golden_Repo/v/VMD/VMD-1.9.3_plugins.patch
new file mode 100644
index 0000000000000000000000000000000000000000..f4cf63549263fd9462ccfefa556b6508369e9a25
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.3_plugins.patch
@@ -0,0 +1,29 @@
+Fix hard coded compiler, flags and tcl lib version for plugins
+
+Ake Sandgren, 20190823
+--- plugins/Make-arch.orig 2016-10-21 23:34:39.000000000 +0200
++++ plugins/Make-arch 2019-08-23 10:45:51.403545042 +0200
+@@ -337,17 +337,17 @@
+ "ARCH = LINUXAMD64" \
+ "COPTO = -fPIC -m64 -o " \
+ "LOPTO = -fPIC -m64 -lstdc++ -o " \
+- "CC = gcc" \
+- "CXX = g++" \
++ "CC = $(CC)" \
++ "CXX = $(CXX)" \
+ "DEF = -D" \
+- "CCFLAGS = -m64 -O2 -fPIC -Wall" \
+- "CXXFLAGS = -m64 -O2 -fPIC -Wall" \
+- "TCLLDFLAGS = -ltcl8.5 -ldl" \
++ "CCFLAGS = $(CFLAGS)" \
++ "CXXFLAGS = $(CXXFLAGS)" \
++ "TCLLDFLAGS = $(TCLLDFLAGS)" \
+ "NETCDFLDFLAGS = -lnetcdf " \
+ "AR = ar" \
+ "NM = nm -p" \
+ "RANLIB = touch" \
+- "SHLD = gcc -shared"
++ "SHLD = $(CC) -shared"
+
+ LINUXCARMA:
+ $(MAKE) dynlibs staticlibs bins \
diff --git a/Golden_Repo/v/VMD/VMD-1.9.3_stride_MAX_AT_IN_RES.patch b/Golden_Repo/v/VMD/VMD-1.9.3_stride_MAX_AT_IN_RES.patch
new file mode 100644
index 0000000000000000000000000000000000000000..9011384eff52af2075f6d7977d0b0de7e5bad400
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.3_stride_MAX_AT_IN_RES.patch
@@ -0,0 +1,15 @@
+Increase number of atoms allowed per residues as per stride README from VMD
+
+Åke Sandgren, 2017-05-02
+diff -ru vmd-1.9.3.orig/lib/stride/stride.h vmd-1.9.3/lib/stride/stride.h
+--- vmd-1.9.3.orig/lib/stride/stride.h 2017-05-02 13:47:26.484463970 +0200
++++ vmd-1.9.3/lib/stride/stride.h 2017-05-02 13:47:43.748279797 +0200
+@@ -40,7 +40,7 @@
+ #define MAX_BOND 100
+ #define MAX_ASSIGN 500
+ #define MAX_INFO 1000
+-#define MAX_AT_IN_RES 75
++#define MAX_AT_IN_RES 100
+ #define MAX_AT_IN_HETERORES 200
+ #define MAXRESDNR 6
+ #define MAXRESACC 6
diff --git a/Golden_Repo/v/VMD/VMD-1.9.3_stride_Makefile.patch b/Golden_Repo/v/VMD/VMD-1.9.3_stride_Makefile.patch
new file mode 100644
index 0000000000000000000000000000000000000000..036430db8ffe77867d6e4ebf20fc57e422ff95f3
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.3_stride_Makefile.patch
@@ -0,0 +1,37 @@
+Make stride use CC, CFLAGS and LDFLAGS from EB.
+
+Åke Sandgren, 2017-05-02
+diff -ru vmd-1.9.3.orig/lib/stride/Makefile vmd-1.9.3/lib/stride/Makefile
+--- vmd-1.9.3.orig/lib/stride/Makefile 2003-04-08 14:03:14.000000000 +0200
++++ vmd-1.9.3/lib/stride/Makefile 2017-05-02 13:46:01.973365383 +0200
+@@ -1,13 +1,14 @@
+ #FLAGS = -lm -L/usr/pub/lib -lefence -o
+ #CC = cc -O2 -fullwarn -TENV:large_GOT
+ #CC = cc -g -Wall
+-CC = gcc -O2 # at least for SunOS
++#CC = gcc -O2 # at least for SunOS
+ #CC = cc -g
+
+ #CC = cc -O2 -fullwarn
+
+ #CC = cc -O2
+-FLAGS = -lm -o
++#FLAGS = -lm -o
++LIBS = -lm
+
+ SOURCE = stride.c splitstr.c rdpdb.c initchn.c geometry.c thr2one.c one2thr.c filename.c tolostr.c strutil.c place_h.c hbenergy.c memory.c helix.c sheet.c rdmap.c phipsi.c command.c molscr.c die.c hydrbond.c mergepat.c fillasn.c escape.c p_jrnl.c p_rem.c p_atom.c p_helix.c p_sheet.c p_turn.c p_ssbond.c p_expdta.c p_model.c p_compnd.c report.c nsc.c area.c ssbond.c chk_res.c chk_atom.c turn.c pdbasn.c dssp.c outseq.c chkchain.c elem.c measure.c asngener.c p_endmdl.c stred.c contact_order.c contact_map.c
+
+@@ -15,12 +16,9 @@
+
+ BINDIR = .
+
+-.c.o:
+- $(CC) -c $< -o $@
+-
+
+ stride : $(OBJECT)
+- $(CC) $(OBJECT) $(FLAGS) $(BINDIR)/stride${ARCH}
++ $(CC) $(LDFLAGS) $(OBJECT) $(LIBS) -o stride
+
+ $(OBJECT) : stride.h protot.h
+
diff --git a/Golden_Repo/v/VMD/VMD-1.9.3_surf_Makefile.patch b/Golden_Repo/v/VMD/VMD-1.9.3_surf_Makefile.patch
new file mode 100644
index 0000000000000000000000000000000000000000..93f430a64a158b7c7ca07cfee06a7e00b5251307
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.3_surf_Makefile.patch
@@ -0,0 +1,112 @@
+Fix surf Makefile.
+Use CC, CFLAGS, etc from EB.
+Drop bad make depend lines.
+
+Åke Sandgren, 2017-05-02
+diff -ru vmd-1.9.3.orig/lib/surf/Makefile vmd-1.9.3/lib/surf/Makefile
+--- vmd-1.9.3.orig/lib/surf/Makefile 1994-03-22 16:44:20.000000000 +0100
++++ vmd-1.9.3/lib/surf/Makefile 2017-05-02 13:41:51.911991381 +0200
+@@ -1,12 +1,7 @@
+ # Compilation flags
+-#CC = cc
+-CC = cc
+ INCLUDE = -I.
+-#LINCLUDE = -lcurses -ltermcap -lm
+-LINCLUDE = -lm
+-OPT_CFLAGS = -O2 $(FLAGS) $(INCLUDE)
+-#CFLAGS = -g $(FLAGS) $(INCLUDE)
+-CFLAGS = -O2 $(FLAGS) $(INCLUDE)
++LIBS = -lm
++CFLAGS = $(OPT) $(INCLUDE)
+
+ # These are the user object files in the application
+ SRCS = surf.c io.c compute.c dual.c utils.c lp.c chull.c tessel_cases.c \
+@@ -18,7 +13,7 @@
+
+ # make objects
+ surf: $(OBJS) Makefile
+- $(CC) $(CFLAGS) $(OBJS) -o surf $(LINCLUDE)
++ $(CC) $(LDFLAGS) $(OBJS) -o surf $(LIBS)
+
+ lint:
+ lint $(INCLUDE) $(SRCS)
+@@ -30,9 +25,6 @@
+ tar -cvf surf.tar README *.[hc] Makefile
+ compress surf.tar
+
+-.c.o:
+- $(CC) $(CFLAGS) -c $*.c
+-
+
+ # make depend makes the proper include file dependencies. You _could_ run
+ # it on a sun4, but there's a bug in the SunOS version of sed that causes
+@@ -61,48 +53,3 @@
+ @ echo ' ' >> Makefile
+
+ # DO NOT DELETE THIS LINE -- make depend depends on it.
+-
+-
+-# DO NOT DELETE THIS LINE -- make depend depends on it.
+-
+-surf.o: surf.h /usr/include/stdio.h /usr/include/math.h /usr/include/stdlib.h
+-surf.o: /usr/include/sgidefs.h /usr/include/string.h /usr/include/sys/time.h
+-surf.o: linalg.h
+-io.o: surf.h /usr/include/stdio.h /usr/include/math.h /usr/include/stdlib.h
+-io.o: /usr/include/sgidefs.h /usr/include/string.h /usr/include/sys/time.h
+-io.o: linalg.h
+-compute.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-compute.o: /usr/include/stdlib.h /usr/include/sgidefs.h /usr/include/string.h
+-compute.o: /usr/include/sys/time.h linalg.h chull.h dual.h
+-dual.o: surf.h /usr/include/stdio.h /usr/include/math.h /usr/include/stdlib.h
+-dual.o: /usr/include/sgidefs.h /usr/include/string.h /usr/include/sys/time.h
+-dual.o: linalg.h dual.h chull.h
+-utils.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-utils.o: /usr/include/stdlib.h /usr/include/sgidefs.h /usr/include/string.h
+-utils.o: /usr/include/sys/time.h linalg.h
+-lp.o: surf.h /usr/include/stdio.h /usr/include/math.h /usr/include/stdlib.h
+-lp.o: /usr/include/sgidefs.h /usr/include/string.h /usr/include/sys/time.h
+-lp.o: linalg.h
+-chull.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-chull.o: /usr/include/stdlib.h /usr/include/sgidefs.h /usr/include/string.h
+-chull.o: /usr/include/sys/time.h linalg.h chull.h
+-tessel_cases.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-tessel_cases.o: /usr/include/stdlib.h /usr/include/sgidefs.h
+-tessel_cases.o: /usr/include/string.h /usr/include/sys/time.h linalg.h dual.h
+-tessel_patches.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-tessel_patches.o: /usr/include/stdlib.h /usr/include/sgidefs.h
+-tessel_patches.o: /usr/include/string.h /usr/include/sys/time.h linalg.h
+-tessel_convex.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-tessel_convex.o: /usr/include/stdlib.h /usr/include/sgidefs.h
+-tessel_convex.o: /usr/include/string.h /usr/include/sys/time.h linalg.h
+-tessel_concave.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-tessel_concave.o: /usr/include/stdlib.h /usr/include/sgidefs.h
+-tessel_concave.o: /usr/include/string.h /usr/include/sys/time.h linalg.h
+-tessel_torus.o: surf.h /usr/include/stdio.h /usr/include/math.h
+-tessel_torus.o: /usr/include/stdlib.h /usr/include/sgidefs.h
+-tessel_torus.o: /usr/include/string.h /usr/include/sys/time.h linalg.h
+-
+-# DEPENDENCIES MUST END AT END OF FILE
+-# IF YOU PUT STUFF HERE IT WILL GO AWAY
+-# see make depend above
+-
+diff -ru vmd-1.9.3.orig/lib/surf/surf.c vmd-1.9.3/lib/surf/surf.c
+--- vmd-1.9.3.orig/lib/surf/surf.c 1994-03-21 10:33:00.000000000 +0100
++++ vmd-1.9.3/lib/surf/surf.c 2017-05-02 13:41:51.911991381 +0200
+@@ -7,7 +7,7 @@
+ #define EXTERN
+ #include "surf.h"
+
+-void
++int
+ main(ac,av)
+ int ac;
+ char* av[];
+@@ -56,6 +56,8 @@
+ if (Write_Option == 2) output_dataset();
+
+ if (Write_Option) end_output_dataset();
++
++ return(0);
+ }
+
+
diff --git a/Golden_Repo/v/VMD/VMD-1.9.3_surf_bad_printfs.patch b/Golden_Repo/v/VMD/VMD-1.9.3_surf_bad_printfs.patch
new file mode 100644
index 0000000000000000000000000000000000000000..9b9db3889bf08c48fb6a469303e1db1423d2b734
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.3_surf_bad_printfs.patch
@@ -0,0 +1,74 @@
+Fix some bad printfs in surf.
+
+Åke Sandgren, 2017-05-02
+diff -ru vmd-1.9.3.orig/lib/surf/chull.c vmd-1.9.3/lib/surf/chull.c
+--- vmd-1.9.3.orig/lib/surf/chull.c 1994-03-19 06:50:54.000000000 +0100
++++ vmd-1.9.3/lib/surf/chull.c 2017-05-02 13:44:07.046582827 +0200
+@@ -378,7 +378,7 @@
+ print_out( v )
+ struct tvertex *v;
+ {
+- fprintf( stderr, "\nAdding vertex %6x :\n", v );
++ fprintf( stderr, "\nAdding vertex %6p :\n", v );
+ print_verts();
+ print_edges();
+ print_fs();
+@@ -398,11 +398,11 @@
+ temp = vertices;
+ fprintf (stderr, "Vertex List\n");
+ if (vertices) do {
+- fprintf(stderr," addr %6x\t", vertices );
++ fprintf(stderr," addr %6p\t", vertices );
+ fprintf(stderr,"(%g,%g,%g)",vertices->v[X],
+ vertices->v[Y], vertices->v[Z] );
+ fprintf(stderr," active:%3d", vertices->active );
+- fprintf(stderr," duplicate:%5x", vertices->duplicate );
++ fprintf(stderr," duplicate:%5p", vertices->duplicate );
+ fprintf(stderr," mark:%2d\n", vertices->mark );
+ vertices = vertices->next;
+ } while ( vertices != temp );
+@@ -424,13 +424,13 @@
+ temp = edges;
+ fprintf (stderr, "Edge List\n");
+ if (edges) do {
+- fprintf( stderr, " addr: %6x\t", edges );
++ fprintf( stderr, " addr: %6p\t", edges );
+ fprintf( stderr, "adj: ");
+ for (i=0; i<3; ++i)
+- fprintf( stderr, "%6x", edges->adjface[i] );
++ fprintf( stderr, "%6p", edges->adjface[i] );
+ fprintf( stderr, " endpts:");
+ for (i=0; i<2; ++i)
+- fprintf( stderr, "%8x", edges->endpts[i]);
++ fprintf( stderr, "%8p", edges->endpts[i]);
+ fprintf( stderr, " del:%3d\n", edges->deleted );
+ edges = edges->next;
+ } while (edges != temp );
+@@ -452,13 +452,13 @@
+ temp = faces;
+ fprintf (stderr, "Face List\n");
+ if (faces) do {
+- fprintf(stderr, " addr: %6x\t", faces );
++ fprintf(stderr, " addr: %6p\t", faces );
+ fprintf(stderr, " edges:");
+ for( i=0; i<3; ++i )
+- fprintf(stderr, "%6x", faces->edg[i] );
++ fprintf(stderr, "%6p", faces->edg[i] );
+ fprintf(stderr, " vert:");
+ for ( i=0; i<3; ++i)
+- fprintf(stderr, "%6x", faces->vert[i] );
++ fprintf(stderr, "%6p", faces->vert[i] );
+ fprintf(stderr, " vis: %d\n", faces->visible );
+ faces= faces->next;
+ } while ( faces != temp );
+@@ -552,8 +552,8 @@
+ temp_v = temp_v->next;
+ } while ( temp_v != vertices );
+ do {
+- printf("3%5d%6d%6d\n", temp_f->vert[0]->vnum,
+- temp_f->vert[1]->vnum, temp_f->vert[2]->vnum );
++ printf("3%5d%6d%6d\n", temp_f->vert[0]->vnum[0],
++ temp_f->vert[1]->vnum[0], temp_f->vert[2]->vnum[0] );
+ temp_f = temp_f->next;
+ } while ( temp_f != faces );
+ }
diff --git a/Golden_Repo/v/VMD/VMD-1.9.4a51_extra_colors.patch b/Golden_Repo/v/VMD/VMD-1.9.4a51_extra_colors.patch
new file mode 100644
index 0000000000000000000000000000000000000000..26e9ba954dbbbb816975a947d97c4d1a69ca1f95
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.4a51_extra_colors.patch
@@ -0,0 +1,46 @@
+Add some additional colors, e.g. to allow for color blind compatible rendering.
+Bob Dröge, 2020-06-23
+--- src/Scene.C.orig 2020-06-23 09:37:41.000000000 +0200
++++ src/Scene.C 2020-06-23 09:40:59.000000000 +0200
+@@ -63,7 +63,10 @@
+ ,"yellow2", "yellow3", "green2", "green3",
+ "cyan2", "cyan3", "blue2", "blue3",
+ "violet", "violet2", "magenta", "magenta2",
+- "red2", "red3", "orange2", "orange3"
++ "red2", "red3", "orange2", "orange3",
++ "matisse", "flamenco", "forest_green", "punch",
++ "wisteria", "spicy_mix", "orchid", "gray2",
++ "lime_pie", "java"
+ #endif
+
+ };
+@@ -89,7 +92,17 @@
+ 0.27f, 0.00f, 0.98f, 0.45f, 0.00f, 0.90f, // violet
+ 0.90f, 0.00f, 0.90f, 1.00f, 0.00f, 0.66f, // magenta
+ 0.98f, 0.00f, 0.23f, 0.81f, 0.00f, 0.00f, // red
+- 0.89f, 0.35f, 0.00f, 0.96f, 0.72f, 0.00f // orange
++ 0.89f, 0.35f, 0.00f, 0.96f, 0.72f, 0.00f, // orange
++ 0.1f, 0.5f, 0.7f, // MPL1, matisse
++ 1.0f, 0.5f, 0.1f, // MPL2, flamenco
++ 0.2f, 0.6f, 0.2f, // MPL3, forest green
++ 0.8f, 0.2f, 0.2f, // MPL4, punch
++ 0.6f, 0.4f, 0.7f, // MPL5, wisteria
++ 0.5f, 0.3f, 0.3f, // MPL6, spicy mix
++ 0.9f, 0.5f, 0.8f, // MPL7, orchid
++ 0.5f, 0.5f, 0.5f, // MPL8, gray
++ 0.7f, 0.7f, 0.1f, // MPL9, key lime pie
++ 0.1f, 0.7f, 0.8f // MPL10, java
+ #endif
+
+ };
+--- src/Scene.h.orig 2020-06-23 09:37:45.000000000 +0200
++++ src/Scene.h 2020-06-23 09:42:21.000000000 +0200
+@@ -37,7 +37,7 @@
+ #define DISP_LIGHTS 4
+
+ // total number of colors defined here
+-#define REGCLRS 33
++#define REGCLRS 43
+ #define EXTRACLRS 1
+ #define VISCLRS (REGCLRS - EXTRACLRS)
+ #define MAPCLRS 1024
diff --git a/Golden_Repo/v/VMD/VMD-1.9.4a57-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/v/VMD/VMD-1.9.4a57-gcccoremkl-11.3.0-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e10877f760359227728ec9262448704d50ab4cc1
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.4a57-gcccoremkl-11.3.0-2022.1.0.eb
@@ -0,0 +1,73 @@
+##
+# Author: Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+name = 'VMD'
+version = '1.9.4a57'
+
+homepage = 'https://www.ks.uiuc.edu/Research/vmd'
+description = """VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular
+ systems using 3-D graphics and built-in scripting."""
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+
+source_urls = [
+ 'https://www.ks.uiuc.edu/Research/vmd/vmd-1.9.4/files/alpha/',
+ 'https://www.ks.uiuc.edu/Research/vmd/vmd-%(version)s/files/final',
+ 'http://webclu.bio.wzw.tum.de/stride/'
+]
+sources = [
+ 'vmd-%(version)s.src.tar.gz',
+ {'filename': 'stride.tar.gz', 'extract_cmd': "tar -C vmd-%(version)s/lib/stride -xf %s"},
+]
+patches = [
+ ('VMD-1.9.3_plugins.patch'),
+ ('VMD-1.9.3_surf_Makefile.patch', 'vmd-%(version)s'),
+ ('VMD-1.9.3_surf_bad_printfs.patch', 'vmd-%(version)s'),
+ ('VMD-1.9.3_stride_Makefile.patch', 'vmd-%(version)s'),
+ ('VMD-1.9.3_stride_MAX_AT_IN_RES.patch', 'vmd-%(version)s'),
+ ('VMD-1.9.4a57_configure.patch', 'vmd-%(version)s'),
+ ('VMD-1.9.4a51_extra_colors.patch', 'vmd-%(version)s'),
+]
+checksums = [
+ 'de278d0c5d969336d89068e0806fb50aaa0cb0f546ba985d840b279357860679', # vmd-1.9.4a57.src.tar.gz
+ '51a8bc2988bb184bd08216124f61725225bb1a6f563bdf8cd35154cb5d621c1a', # stride.tar.gz
+ '85760d6ae838e2b09801e34b36b484532383f7aaf2e8634b3ef808002a92baa3', # VMD-1.9.3_plugins.patch
+ 'd5cfa88064b7cffbc75accd69707d4e45fda974e8127de9ab606fdad501bd68a', # VMD-1.9.3_surf_Makefile.patch
+ 'f3c2a8c155e38db8e644cee6a01f6beaea5988e72ac74cde26b71670b151cc34', # VMD-1.9.3_surf_bad_printfs.patch
+ 'eb194ac0d8c086b73f87b29f7d732687f902431b1cdfa139c090401fefdee51e', # VMD-1.9.3_stride_Makefile.patch
+ 'eff1ca00cec637a6c8a156b2fb038e078d1835ba0eb15a571ed820bca5a866d9', # VMD-1.9.3_stride_MAX_AT_IN_RES.patch
+ 'ad22b02f0261bb94768e084b42c74c1c6cd4d2a3428f4f22534565e232f2d237', # VMD-1.9.4a51_configure.patch
+ '253eba282b570eb00e4764f46f77fd5ca898d10360d5707dd50ad1f14615af80', # VMD-1.9.4a51_extra_colors.patch
+]
+
+builddependencies = [
+ ('binutils', '2.38'),
+]
+
+dependencies = [
+ ('tcsh', '6.24.01'),
+ ('Tcl', '8.6.12'),
+ ('Tk', '8.6.12'),
+ ('FLTK', '1.3.8'),
+ ('Python', '3.10.4'),
+ ('SciPy-bundle', '2022.05'),
+ ('Tkinter', '%(pyver)s'),
+ ('X11', '20220504'),
+ ('fontconfig', '2.14.0'),
+ ('OpenGL', '2022a'),
+ ('netCDF', '4.9.0', '-serial'),
+ ('FFmpeg', '4.4.2'),
+ ('ImageMagick', '7.1.0-37'),
+ ('ACTC', '1.1'),
+ ('OptiX', '6.5.0', '', SYSTEM),
+ ('zlib', '1.2.12'),
+ ('libpng', '1.6.37'),
+ ('POV-Ray', '3.7.0.10'),
+ ('CUDA', '11.7', '', SYSTEM),
+]
+
+postinstallcmds = [
+ 'sed -i "s%#!/bin/csh%#!$EBROOTTCSH/bin/tcsh%g" %(installdir)s/bin/vmd ',
+]
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/v/VMD/VMD-1.9.4a57_configure.patch b/Golden_Repo/v/VMD/VMD-1.9.4a57_configure.patch
new file mode 100644
index 0000000000000000000000000000000000000000..42c726a4c397fb84f660782dd9d69b83ccfa911c
--- /dev/null
+++ b/Golden_Repo/v/VMD/VMD-1.9.4a57_configure.patch
@@ -0,0 +1,179 @@
+diff -Naur vmd-1.9.4a57.orig/configure vmd-1.9.4a57/configure
+--- vmd-1.9.4a57.orig/configure 2022-04-27 08:21:11.000000000 +0200
++++ vmd-1.9.4a57/configure 2023-02-06 22:04:22.188887855 +0100
+@@ -498,17 +498,16 @@
+
+ $arch_cc = "cc";
+ $arch_ccpp = "CC";
+-$arch_nvcc = "/usr/local/cuda-10.2/bin/nvcc";
++$arch_nvcc = "$ENV{'EBROOTCUDA'}/bin/nvcc";
+ $arch_nvccflags = "-lineinfo --ptxas-options=-v " .
+- "-gencode arch=compute_30,code=compute_30 " .
+- "-gencode arch=compute_30,code=sm_35 " .
+- "-gencode arch=compute_30,code=sm_37 " .
+ "-gencode arch=compute_50,code=compute_50 " .
+ "-gencode arch=compute_50,code=sm_50 " .
+ "-gencode arch=compute_60,code=compute_60 " .
+ "-gencode arch=compute_60,code=sm_60 " .
+ "-gencode arch=compute_70,code=compute_70 " .
+ "-gencode arch=compute_70,code=sm_70 " .
++ "-gencode arch=compute_75,code=sm_75 " .
++ "-gencode arch=compute_80,code=sm_80 " .
+ "--ftz=true ";
+ # "-gencode arch=compute_75,code=sm_75 " .
+ $arch_gcc = "gcc";
+@@ -634,17 +633,17 @@
+ # location of Mesa library and include files; basically does the same
+ # as OpenGL. This is based on the default instructions from the Mesa
+ # README; the include files should by default be in /usr/local/include/GL.
+-$mesa_dir = "$vmd_library_dir/Mesa";
++$mesa_dir = $ENV{'EBROOTMESA'};
+ $mesa_include = "-I$mesa_dir/include";
+ $mesa_library = "-L$mesa_dir/lib_$config_arch";
+ #$mesa_libs = "-lMesaGL -lMesaGLU";
+-$mesa_libs = "-lMesaGL";
++$mesa_libs = "-lGL -lGLU";
+ $mesa_defines = "-DUSELINEAXES -DVMDMESA -DVMDOPENGL";
+ @mesa_cc = ();
+ @mesa_cu = ();
+-@mesa_ccpp = @opengl_ccpp;
+-@mesa_h = @opengl_h;
+-@mesa_extra = @opengl_extra;
++@mesa_ccpp = ();
++@mesa_h = ();
++@mesa_extra = ();
+
+
+ #
+@@ -720,10 +719,10 @@
+
+ ################ FLTK GUI
+ $fltk_defines = "-DVMDGUI -DVMDFLTK";
+-$fltk_dir = "$vmd_library_dir/fltk";
++$fltk_dir = $ENV{'EBROOTFLTK'};
+ $fltk_include = "-I$fltk_dir/include";
+ $fltk_library = "-L$fltk_dir/$config_arch";
+-$fltk_libs = "-lfltk -lX11";
++$fltk_libs = "-lfltk -lX11 -lXfixes -lXcursor -lXinerama";
+ #@fltk_cc = ('forms_ui.c');
+ @fltk_cu = ();
+ @fltk_ccpp = ( 'ColorFltkMenu.C',
+@@ -765,7 +764,6 @@
+ $stock_tcl_include_dir=$ENV{"TCL_INCLUDE_DIR"} || "$vmd_library_dir/tcl/include";
+ $stock_tcl_library_dir=$ENV{"TCL_LIBRARY_DIR"} || "$vmd_library_dir/tcl/lib_$config_arch";
+
+-
+ # location of Tk (for TK option)
+ #$stock_tk_include_dir=$ENV{"TK_INCLUDE_DIR"} || "/usr/local/include";
+ #$stock_tk_library_dir=$ENV{"TK_LIBRARY_DIR"} || "/usr/local/lib";
+@@ -783,8 +781,8 @@
+ if ($config_tk) { $tcl_include .= " -I$stock_tk_include_dir"; }
+ $tcl_library = "-L$stock_tcl_library_dir";
+ if ($config_tk) { $tcl_library .= " -L$stock_tk_library_dir"; }
+-$tcl_libs = "-ltcl8.5";
+-if ($config_tk) { $tcl_libs = "-ltk8.5 -lX11 " . $tcl_libs; }
++$tcl_libs = "-ltcl8.6";
++if ($config_tk) { $tcl_libs = "-ltk8.6 -lX11 " . $tcl_libs; }
+
+ @tcl_cc = ();
+ @tcl_cu = ();
+@@ -1006,7 +1004,7 @@
+ # This option enables the use of CUDA GPU acceleration functions.
+ #######################
+ $cuda_defines = "-DVMDCUDA -DMSMPOT_CUDA";
+-$cuda_dir = "/usr/local/cuda-10.2";
++$cuda_dir = "$ENV{'CUDA_HOME'}";
+ $cuda_include = "";
+ $cuda_library = "";
+ $cuda_libs = "-Wl,-rpath -Wl,\$\$ORIGIN/ -lcudart_static -lrt";
+@@ -1215,7 +1213,7 @@
+ # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-5.0.1-linux64";
+ # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-5.1.0-linux64";
+ # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-6.0.0-linux64";
+-$liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-6.5.0-linux64";
++$liboptix_dir = "$ENV{'EBROOTOPTIX'}";
+ # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-7.0.0-linux64";
+
+ # NCSA Blue Waters
+@@ -1370,7 +1368,7 @@
+ die "LIBPNG option requires ZLIB!";
+ }
+ $libpng_defines = "-DVMDLIBPNG";
+-$libpng_dir = "/Projects/vmd/vmd/lib/libpng";
++$libpng_dir = "$ENV{'EBROOTLIBPNG'}";
+ $libpng_include = "-I$libpng_dir/include";
+ $libpng_library = "-L$libpng_dir/lib_$config_arch";
+ $libpng_libs = "-lpng16";
+@@ -1398,7 +1396,7 @@
+ # OPTIONAL COMPONENT: Data compresssion library
+ # This may be commented out if not required.
+ $zlib_defines = "-DVMDZLIB";
+-$zlib_dir = "/Projects/vmd/vmd/lib/zlib";
++$zlib_dir = "$ENV{'EBROOTZLIB'}";
+ $zlib_include = "-I$zlib_dir/include";
+ $zlib_library = "-L$zlib_dir/lib_$config_arch";
+ $zlib_libs = "-lz";
+@@ -1589,7 +1587,7 @@
+ # primitives.
+ #######################
+ $actc_defines = "-DVMDACTC";
+-$actc_dir = "$vmd_library_dir/actc";
++$actc_dir = "$ENV{'EBROOTACTC'}";
+ $actc_include = "-I$actc_dir/include";
+ $actc_library = "-L$actc_dir/lib_$config_arch";
+ $actc_libs = "-lactc";
+@@ -1604,7 +1602,7 @@
+ # OPTIONAL COMPONENT: NetCDF I/O Library (Used by cdfplugin)
+ #######################
+ $netcdf_defines = "";
+-$netcdf_dir = "$vmd_library_dir/netcdf";
++$netcdf_dir = "$ENV{'EBROOTNETCDF'}";
+ $netcdf_include = "-I$netcdf_dir/include";
+ $netcdf_library = "-L$netcdf_dir/lib_$config_arch";
+ $netcdf_libs = "-lnetcdf";
+@@ -1662,7 +1660,7 @@
+ $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "$conda_root/lib/python3.7/config-3.7m-x86_64-linux-gnu";
+ $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "$conda_root/lib/python3.7/site-packages/numpy/core/include/numpy";
+ $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "$conda_root/lib/python-3.7/site-packages/numpy/core/include";
+- $python_libs = "-fno-lto -lpython3.7m -lpthread";
++ $python_libs = "$ENV{'PYTHON_LIBRARIES'}" || "-fno-lto -lpython3.7m -lpthread";
+ } else {
+ # $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "/usr/local/include";
+ # $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "/usr/local/lib";
+@@ -1673,7 +1671,7 @@
+ # $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "/usr/local/lib";
+ $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "$vmd_library_dir/numpy/lib_$config_arch/include";
+ $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/site-packages/numpy/core/include";
+- $python_libs = "-lpython2.5 -lpthread";
++ $python_libs = "$ENV{'PYTHON_LIBRARIES'}" || "-lpython2.5 -lpthread";
+ }
+
+ $python_defines = "-DVMDPYTHON";
+@@ -2593,7 +2591,7 @@
+
+ if ($config_cuda) {
+ $arch_nvccflags .= " --machine 64 -O3 $cuda_include";
+- $cuda_library = "-L/usr/local/cuda-10.2/lib64";
++ $cuda_library = "-L/$ENV{'EBROOTCUDA'}/lib64";
+ }
+
+ $arch_lex = "flex"; # has problems with vendor lex
+@@ -2603,7 +2601,7 @@
+ # they likely serve no useful purpose going forward.
+ if (!$config_opengl_dispatch) {
+ $opengl_dep_libs = "-L/usr/X11R6/lib64 -lGL -lX11";
+- $mesa_libs = "-lMesaGL -L/usr/X11R6/lib64 -lXext -lX11";
++ $mesa_libs = "-lGL -lGLU -L/usr/X11R6/lib64 -lXext -lX11";
+ }
+
+ # this is to make tcl happy
+@@ -3789,8 +3787,7 @@
+
+ .cu.ptx:
+ \$(ECHO) "Compiling " \$< " --> " \$*.ptx " ..."; \\
+- \$(NVCC) \$(DEFINES) --use_fast_math $liboptix_include -gencode arch=compute_50,code=compute_50 -ptx \$< $arch_coptout$vmd_arch_dir/\$\@
+-
++ \$(NVCC) \$(DEFINES) --use_fast_math $liboptix_include -gencode arch=compute_80,code=compute_80 -ptx \$< $arch_coptout$vmd_arch_dir/\$\@
+ .y.o:
+
+ .l.o:
diff --git a/Golden_Repo/v/VTK/VTK-9.2.5-GCCcore-11.3.0-nompi.eb b/Golden_Repo/v/VTK/VTK-9.2.5-GCCcore-11.3.0-nompi.eb
index 34fbf0ab9bce9e1a0b34dbb44909bc3b98b9fd5c..f86212993ab8a6139492b998a8a823e7f907b85e 100644
--- a/Golden_Repo/v/VTK/VTK-9.2.5-GCCcore-11.3.0-nompi.eb
+++ b/Golden_Repo/v/VTK/VTK-9.2.5-GCCcore-11.3.0-nompi.eb
@@ -33,7 +33,7 @@ builddependencies = [
dependencies = [
('Python', '3.10.4'),
('HDF5', '1.12.2', '-serial'),
- ('SciPy-Stack', '2022a', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
# ('libxc', '5.2.3'), # not in GCCcore toolchain
('netCDF', '4.9.0', '-serial'),
('X11', '20220504'),
diff --git a/Golden_Repo/v/VTK/VTK-9.2.5-foss-2022a.eb b/Golden_Repo/v/VTK/VTK-9.2.5-foss-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9336ae0dc69e96a32d6d56f27bd84ffd9c935ce7
--- /dev/null
+++ b/Golden_Repo/v/VTK/VTK-9.2.5-foss-2022a.eb
@@ -0,0 +1,187 @@
+easyblock = 'CMakeMake'
+
+name = 'VTK'
+version = '9.2.5'
+
+homepage = 'http://www.vtk.org'
+description = """The Visualization Toolkit (VTK) is an open-source, freely available software system for
+ 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several
+ interpreted interface layers including Tcl/Tk, Java, and Python. VTK supports a wide variety of visualization
+ algorithms including: scalar, vector, tensor, texture, and volumetric methods; and advanced modeling techniques
+ such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['https://www.vtk.org/files/release/%(version_major_minor)s']
+sources = [
+ SOURCE_TAR_GZ,
+ '%(name)sData-%(version)s.tar.gz',
+]
+patches = [('vtk-version.egg-info', '.')]
+checksums = [
+ '128d601baa980e98ee034207974b33fb38d2c98ab9cf4a5756efdb09ed6c0949', # VTK-9.2.5.tar.gz
+ '8a812f96346b3a38ff0fc3b1a1a372f3727a71ebf450c02d659a75dbe1113515', # VTKData-9.2.5.tar.gz
+ '787b82415ae7a4a1f815b4db0e25f7abc809a05fc85d7d219627f3a7e5d3867b', # vtk-version.egg-info
+]
+
+builddependencies = [
+ ('CMake', '3.23.1'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('HDF5', '1.12.2',),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('mpi4py', '3.1.4'),
+ ('libxc', '5.2.3'),
+ ('netCDF', '4.9.0',),
+ ('X11', '20220504'),
+ ('OpenGL', '2022a'),
+]
+
+separate_build_dir = True
+
+configopts = "-DCMAKE_INSTALL_LIBDIR=lib "
+
+configopts += "-DVTK_USE_SYSTEM_MPI4PY=ON "
+configopts += "-DVTK_USE_SYSTEM_LZMA=ON "
+configopts += "-DVTK_USE_SYSTEM_HDF5=ON "
+configopts += "-DVTK_USE_SYSTEM_NETCDF=ON "
+
+configopts += "-DBUILD_SHARED_LIBS=ON "
+configopts += "-DBUILD_TESTING=OFF "
+
+configopts += "-DVTK_USE_MPI=ON "
+configopts += "-DVTK_SMP_IMPLEMENTATION_TYPE=OPENMP "
+configopts += "-DVTK_Group_MPI:BOOL=ON "
+configopts += "-DVTK_Group_Web:BOOL=ON "
+
+configopts += '-DOpenGL_GL_PREFERENCE=GLVND ' # "GLVND" or "LEGACY"
+configopts += "-DOPENGL_EGL_INCLUDE_DIR=$EBROOTOPENGL/include "
+configopts += "-DOPENGL_GLX_INCLUDE_DIR=$EBROOTOPENGL/include "
+configopts += "-DOPENGL_INCLUDE_DIR=$EBROOTOPENGL/include "
+configopts += "-DOPENGL_egl_LIBRARY=$EBROOTOPENGL/lib/libEGL.so.1 "
+configopts += "-DOPENGL_glx_LIBRARY=$EBROOTOPENGL/lib/libGLX.so.0 "
+configopts += "-DOPENGL_opengl_LIBRARY=$EBROOTOPENGL/lib/libOpenGL.so.0 "
+configopts += "-DOPENGL_glu_LIBRARY=$EBROOTOPENGL/lib/libGLU.so "
+
+configopts += "-DVTK_WRAP_PYTHON=ON "
+configopts += "-DVTK_PYTHON_OPTIONAL_LINK=OFF "
+configopts += "-DPYTHON_EXECUTABLE:PATH=$EBROOTPYTHON/bin/python%(pyshortver)s "
+configopts += "-DPYTHON_INCLUDE_DIR:PATH=$EBROOTPYTHON/include/python%(pyshortver)s "
+configopts += "-DPYTHON_LIBRARY:PATH=$EBROOTPYTHON/lib/libpython%%(pyshortver)s.%s " % SHLIB_EXT
+
+configopts += "-DHDF5_INCLUDE_DIRS=$EBROOTHDF5/include "
+
+configopts += "-DModule_vtkAcceleratorsVTKm:BOOL=ON "
+# configopts += "-DModule_vtkDomainsMicroscopy:BOOL=OFF "
+# configopts += "-DModule_vtkDomainsParallelChemistry:BOOL=OFF "
+# configopts += "-DModule_vtkFiltersOpenTurns:BOOL=OFF "
+# configopts += "-DModule_vtkFiltersParallelDIY2:BOOL=OFF "
+# configopts += "-DModule_vtkFiltersParallelFlowPaths:BOOL=OFF "
+configopts += "-DModule_vtkFiltersParallelGeometry:BOOL=ON "
+configopts += "-DModule_vtkFiltersParallelMPI:BOOL=ON "
+configopts += "-DModule_vtkFiltersParallelStatistics:BOOL=ON "
+# configopts += "-DModule_vtkFiltersParallelVerdict:BOOL=OFF "
+# configopts += "-DModule_vtkFiltersReebGraph:BOOL=OFF "
+# configopts += "-DModule_vtkGUISupportQt:BOOL=OFF "
+# configopts += "-DModule_vtkGUISupportQtOpenGL:BOOL=OFF "
+# configopts += "-DModule_vtkGUISupportQtSQL:BOOL=OFF "
+# configopts += "-DModule_vtkGUISupportQtWebkit:BOOL=OFF "
+# configopts += "-DModule_vtkGeovisGDAL:BOOL=OFF "
+# configopts += "-DModule_vtkIOADIOS:BOOL=OFF "
+# configopts += "-DModule_vtkIOFFMPEG:BOOL=OFF "
+# configopts += "-DModule_vtkIOGDAL:BOOL=OFF "
+# configopts += "-DModule_vtkIOGeoJSON:BOOL=OFF "
+# configopts += "-DModule_vtkIOLAS:BOOL=OFF "
+# configopts += "-DModule_vtkIOMPIImage:BOOL=ON "
+# configopts += "-DModule_vtkIOMPIParallel:BOOL=ON "
+# configopts += "-DModule_vtkIOMotionFX:BOOL=OFF "
+# configopts += "-DModule_vtkIOMySQL:BOOL=OFF "
+# configopts += "-DModule_vtkIOODBC:BOOL=OFF "
+# configopts += "-DModule_vtkIOPDAL:BOOL=OFF "
+# configopts += "-DModule_vtkIOParallelExodus:BOOL=OFF "
+# configopts += "-DModule_vtkIOParallelLSDyna:BOOL=OFF "
+# configopts += "-DModule_vtkIOParallelNetCDF:BOOL=OFF "
+# configopts += "-DModule_vtkIOParallelXdmf3:BOOL=OFF "
+# configopts += "-DModule_vtkIOPostgreSQL:BOOL=OFF "
+# configopts += "-DModule_vtkIOTRUCHAS:BOOL=OFF "
+# configopts += "-DModule_vtkIOVPIC:BOOL=OFF "
+# configopts += "-DModule_vtkIOXdmf2:BOOL=OFF "
+# configopts += "-DModule_vtkIOXdmf3:BOOL=OFF "
+# configopts += "-DModule_vtkImagingOpenGL2:BOOL=OFF "
+# configopts += "-DModule_vtkInfovisBoost:BOOL=OFF "
+# configopts += "-DModule_vtkInfovisBoostGraphAlg:BOOL=OFF
+configopts += "-DModule_vtkParallelMPI:BOOL=ON "
+configopts += "-DModule_vtkPython:BOOL=ON "
+# configopts += "-DModule_vtkPythonInterpreter:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingExternal:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingFreeTypeFontConfig:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingLICOpenGL2:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingMatplotlib:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingOSPRay:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingOpenVR:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingOptiX:BOOL=OFF "
+configopts += "-DModule_vtkRenderingParallel:BOOL=ON "
+configopts += "-DModule_vtkRenderingParallelLIC:BOOL=ON "
+# configopts += "-DModule_vtkRenderingQt:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingSceneGraph:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingTk:BOOL=OFF "
+# configopts += "-DModule_vtkRenderingVolumeAMR:BOOL=OFF "
+# configopts += "-DModule_vtkTclTk:BOOL=OFF "
+# configopts += "-DModule_vtkTestingCore:BOOL=OFF "
+# configopts += "-DModule_vtkTestingGenericBridge:BOOL=OFF "
+# configopts += "-DModule_vtkTestingIOSQL:BOOL=OFF "
+# configopts += "-DModule_vtkTestingRendering:BOOL=OFF "
+# configopts += "-DModule_vtkUtilitiesBenchmarks:BOOL=OFF "
+# configopts += "-DModule_vtkUtilitiesEncodeString:BOOL=OFF "
+# configopts += "-DModule_vtkVPIC:BOOL=OFF "
+configopts += "-DModule_vtkVTKm:BOOL=ON "
+# configopts += "-DModule_vtkViewsGeovis:BOOL=OFF "
+# configopts += "-DModule_vtkViewsQt:BOOL=OFF "
+# configopts += "-DModule_vtkWebCore:BOOL=OFF "
+# configopts += "-DModule_vtkWebGLExporter:BOOL=OFF "
+# configopts += "-DModule_vtkWebPython:BOOL=OFF "
+# configopts += "-DModule_vtkWrappingJava:BOOL=OFF "
+# configopts += "-DModule_vtkWrappingPythonCore:BOOL=OFF "
+# configopts += "-DModule_vtkWrappingTools:BOOL=OFF "
+# configopts += "-DModule_vtkdiy2:BOOL=OFF "
+# configopts += "-DModule_vtkkissfft:BOOL=OFF "
+configopts += "-DModule_vtkmpi4py:BOOL=ON "
+# configopts += "-DModule_vtkpegtl:BOOL=OFF "
+# configopts += "-DModule_vtkxdmf2:BOOL=OFF "
+# configopts += "-DModule_vtkxdmf3:BOOL=OFF "
+# configopts += "-DModule_vtkzfp:BOOL=OFF "
+
+preinstallopts = "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && "
+
+# Install a egg-info file so VTK is more python friendly, required for mayavi
+local_egg_info_src = '%(builddir)s/VTK-%(version)s/vtk-version.egg-info'
+local_egg_info_dest = '%(installdir)s/lib/python%(pyshortver)s/site-packages/vtk-%(version)s.egg-info'
+postinstallcmds = [
+ 'sed "s/#VTK_VERSION#/%%(version)s/" %s > %s' % (local_egg_info_src, local_egg_info_dest),
+]
+
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
+
+local_vtk_exec = ['vtk%s-%%(version_major_minor)s' % x
+ for x in ['WrapJava', 'ParseJava', 'WrapPythonInit', 'WrapPython', 'WrapHierarchy']]
+local_vtk_exec += ['vtkpython']
+local_vtk_libs = ['CommonCore', 'IONetCDF', 'ParallelCore', 'RenderingOpenGL2']
+
+sanity_check_paths = {
+ 'files': ['bin/%s' % x for x in local_vtk_exec] + ['include/vtk-%(version_major_minor)s/vtkMPI.h'] +
+ ['lib/libvtk%s-%%(version_major_minor)s.%s' % (l, SHLIB_EXT) for l in local_vtk_libs],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages/', 'include/vtk-%(version_major_minor)s'],
+}
+
+sanity_check_commands = [
+ "python -c 'import %(namelower)s'",
+ "python -c 'import pkg_resources; pkg_resources.get_distribution(\"vtk\")'",
+ # make sure that VTK Python libraries link to libpython (controlled via DVTK_PYTHON_OPTIONAL_LINK=OFF),
+ # see https://gitlab.kitware.com/vtk/vtk/-/issues/17881
+ "ldd $EBROOTVTK/lib/libvtkPythonContext2D-%%(version_major_minor)s.%s | grep /libpython" % SHLIB_EXT,
+]
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/v/VTK/VTK-9.2.5-gpsmpi-2022a.eb b/Golden_Repo/v/VTK/VTK-9.2.5-gpsmkl-2022a.eb
similarity index 97%
rename from Golden_Repo/v/VTK/VTK-9.2.5-gpsmpi-2022a.eb
rename to Golden_Repo/v/VTK/VTK-9.2.5-gpsmkl-2022a.eb
index 2afb89cd458dee3b364c96ba27e987f6881933f6..32a8a375cac30d799a22665a94faf22395ca030e 100644
--- a/Golden_Repo/v/VTK/VTK-9.2.5-gpsmpi-2022a.eb
+++ b/Golden_Repo/v/VTK/VTK-9.2.5-gpsmkl-2022a.eb
@@ -11,7 +11,7 @@ description = """The Visualization Toolkit (VTK) is an open-source, freely avail
such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation."""
-toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
toolchainopts = {'pic': True, 'usempi': True}
source_urls = ['https://www.vtk.org/files/release/%(version_major_minor)s']
@@ -32,11 +32,11 @@ builddependencies = [
dependencies = [
('Python', '3.10.4'),
- ('HDF5', '1.12.2', '-serial'),
- ('SciPy-Stack', '2022a', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('HDF5', '1.12.2',),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
('mpi4py', '3.1.4'),
('libxc', '5.2.3'),
- ('netCDF', '4.9.0', '-serial'),
+ ('netCDF', '4.9.0',),
('X11', '20220504'),
('OpenGL', '2022a'),
]
diff --git a/Golden_Repo/v/Vampir/Vampir-10.3.0.eb b/Golden_Repo/v/Vampir/Vampir-10.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..36faeffc4f0d160ad2fd8c9d760617f6fbd31bb0
--- /dev/null
+++ b/Golden_Repo/v/Vampir/Vampir-10.3.0.eb
@@ -0,0 +1,45 @@
+# This is an easyconfig file for EasyBuild, see https://github.com/hpcugent/easybuild
+# Copyright:: Copyright 2013 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# License:: New BSD
+#
+# This work is based from experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+# For using $SYSTEMNAME to determine license path. The local prefix is to appease the checker
+import os as local_os
+
+easyblock = 'Binary'
+
+name = "Vampir"
+version = "10.3.0"
+local_archsuffix = "-linux-x86_64"
+
+homepage = 'http://www.vampir.eu'
+description = """The VAMPIR software tool provides an easy-to-use framework that enables
+developers to quickly display and analyze arbitrary program behavior at any level of detail.
+The tool suite implements optimized event analysis algorithms and customizable displays that
+enable fast and interactive rendering of very complex performance monitoring data.
+
+"""
+
+toolchain = SYSTEM
+
+sources = ['vampir-%s%s-setup.sh' % (version, local_archsuffix)]
+checksums = ['5721ff30daa38622dd1550f5b7638d3a3261a3abc894a305bf2302e80ee4f66e']
+
+install_cmd = './vampir-%(version)s-linux-x86_64-setup.sh --silent --instdir=%(installdir)s'
+
+sanity_check_paths = {
+ 'files': ["bin/vampir", "doc/vampir-manual.pdf"],
+ 'dirs': []
+}
+
+local_licdir = '/p/software/%s/licenses/vampir/vampir.license' % local_os.environ['SYSTEMNAME']
+
+modextravars = {
+ 'VAMPIR_LICENSE': '/p/software/%s/licenses/vampir/vampir.license' % local_os.environ['SYSTEMNAME'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/v/VampirServer/VampirServer-10.3.0-gpsmpi-2022a.eb b/Golden_Repo/v/VampirServer/VampirServer-10.3.0-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..b485a8063f2351d757b508f148791895f018eb71
--- /dev/null
+++ b/Golden_Repo/v/VampirServer/VampirServer-10.3.0-gpsmpi-2022a.eb
@@ -0,0 +1,64 @@
+# This is an easyconfig file for EasyBuild, see https://github.com/hpcugent/easybuild
+# Copyright:: Copyright 2013 Juelich Supercomputing Centre, Germany
+# Authors:: Bernd Mohr <b.mohr@fz-juelich.de>
+# License:: New BSD
+#
+# This work is based from experiences from the UNITE project
+# http://apps.fz-juelich.de/unite/
+##
+
+# For using $SYSTEMNAME to determine license path. The local prefix is to appease the checker
+import os as local_os
+
+easyblock = 'Binary'
+
+name = "VampirServer"
+version = "10.3.0"
+
+homepage = 'http://www.vampir.eu'
+description = """The VAMPIR software tool provides an easy-to-use framework that enables
+developers to quickly display and analyze arbitrary program behavior at any level of detail.
+The tool suite implements optimized event analysis algorithms and customizable displays that
+enable fast and interactive rendering of very complex performance monitoring data.
+"""
+
+usage = """
+To start VampirServer
+module load Vampir VampirServer
+vampir &
+BATCH_OPT="--account=<budget> --partition=<partition>" vampirserver start -n 4 mpi
+(note server + port + server_id)
+- Use it
+Vampir GUI-> open other -> remote file -> server + port
+- To stop VampirServer
+vampirserver stop <server_id>
+"""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+
+toolchainopts = {"usempi": True}
+
+sources = ['vampirserver-%s-linux-x86_64-setup.sh' % (version)]
+checksums = ['07ec746bff46e5d54296daf450e5fd10f5affb7f971aa4dd2d8719b8042df22a']
+
+install_cmd = ('./vampirserver-%(version)s-linux-x86_64-setup.sh --silent --instdir=%(installdir)s '
+ '&& %(installdir)s/bin/vampirserver config --silent')
+
+sanity_check_paths = {
+ 'files': ["bin/vampirserver", "doc/vampirserver-manual.pdf"],
+ 'dirs': []
+}
+
+# Remove Cray-specific 'ap' launcher,
+# use SLURM launcher as MPI launcher and default
+postinstallcmds = [
+ 'rm %(installdir)s/etc/server/launcher/ap',
+ '''sed -i s/'BATCH_OPT=""'/'#BATCH_OPT=""'/g %(installdir)s/etc/server/launcher/custom/slurm''',
+ 'cp %(installdir)s/etc/server/launcher/custom/slurm %(installdir)s/etc/server/launcher/mpi',
+]
+
+modextravars = {
+ 'VAMPIR_LICENSE': '/p/software/%s/licenses/vampir/vampir.license' % local_os.environ['SYSTEMNAME'],
+}
+
+moduleclass = 'perf'
diff --git a/Golden_Repo/x/XServer/0002-Constant-DPI.patch b/Golden_Repo/x/XServer/0002-Constant-DPI.patch
new file mode 100644
index 0000000000000000000000000000000000000000..f91e53d1e4934d615e16b7d975d2a6bb8ddc9238
--- /dev/null
+++ b/Golden_Repo/x/XServer/0002-Constant-DPI.patch
@@ -0,0 +1,96 @@
+--- a/src/dummy.h 2016-12-17 23:02:53.396287041 +0100
++++ b/src/dummy.h 2016-12-17 23:03:30.319616550 +0100
+@@ -51,6 +51,7 @@
+ /* options */
+ OptionInfoPtr Options;
+ Bool swCursor;
++ Bool constantDPI;
+ /* proc pointer */
+ CloseScreenProcPtr CloseScreen;
+ xf86CursorInfoPtr CursorInfo;
+--- a/src/dummy_driver.c 2016-12-14 21:54:20.000000000 +0100
++++ b/src/dummy_driver.c 2016-12-17 23:04:59.916416126 +0100
+@@ -17,6 +17,12 @@
+ /* All drivers using the mi colormap manipulation need this */
+ #include "micmap.h"
+
++#ifdef RANDR
++#include "randrstr.h"
++#endif
++
++#include "windowstr.h"
++
+ /* identifying atom needed by magnifiers */
+ #include <X11/Xatom.h>
+ #include "property.h"
+@@ -115,11 +121,15 @@
+ };
+
+ typedef enum {
+- OPTION_SW_CURSOR
++ OPTION_SW_CURSOR,
++ OPTION_CONSTANT_DPI
+ } DUMMYOpts;
+
+ static const OptionInfoRec DUMMYOptions[] = {
+ { OPTION_SW_CURSOR, "SWcursor", OPTV_BOOLEAN, {0}, FALSE },
++#ifdef RANDR
++ { OPTION_CONSTANT_DPI, "ConstantDPI", OPTV_BOOLEAN, {0}, FALSE },
++#endif
+ { -1, NULL, OPTV_NONE, {0}, FALSE }
+ };
+
+@@ -359,6 +369,7 @@
+ xf86ProcessOptions(pScrn->scrnIndex, pScrn->options, dPtr->Options);
+
+ xf86GetOptValBool(dPtr->Options, OPTION_SW_CURSOR,&dPtr->swCursor);
++ xf86GetOptValBool(dPtr->Options, OPTION_CONSTANT_DPI, &dPtr->constantDPI);
+
+ if (device->videoRam != 0) {
+ pScrn->videoRam = device->videoRam;
+@@ -639,10 +650,45 @@
+ return TRUE;
+ }
+
++const char *XDPY_PROPERTY = "dummy-constant-xdpi";
++const char *YDPY_PROPERTY = "dummy-constant-ydpi";
++static int get_dpi_value(WindowPtr root, const char *property_name, int default_dpi)
++{
++ PropertyPtr prop;
++ Atom type_atom = MakeAtom("CARDINAL", 8, TRUE);
++ Atom prop_atom = MakeAtom(property_name, strlen(property_name), FALSE);
++
++ for (prop = wUserProps(root); prop; prop = prop->next) {
++ if (prop->propertyName == prop_atom && prop->type == type_atom && prop->data) {
++ int v = (int) (*((CARD32 *) prop->data));
++ if ((v>0) && (v<4096)) {
++ xf86DrvMsg(0, X_INFO, "get_constant_dpi_value() found property \"%s\" with value=%i\n", property_name, (int) v);
++ return (int) v;
++ }
++ break;
++ }
++ }
++ return default_dpi;
++}
++
+ /* Mandatory */
+ Bool
+ DUMMYSwitchMode(SWITCH_MODE_ARGS_DECL)
+ {
++ SCRN_INFO_PTR(arg);
++#ifdef RANDR
++ DUMMYPtr dPtr = DUMMYPTR(pScrn);
++ if (dPtr->constantDPI) {
++ int xDpi = get_dpi_value(pScrn->pScreen->root, XDPY_PROPERTY, pScrn->xDpi);
++ int yDpi = get_dpi_value(pScrn->pScreen->root, YDPY_PROPERTY, pScrn->yDpi);
++ //25.4 mm per inch: (254/10)
++ pScrn->pScreen->mmWidth = mode->HDisplay * 254 / xDpi / 10;
++ pScrn->pScreen->mmHeight = mode->VDisplay * 254 / yDpi / 10;
++ xf86DrvMsg(pScrn->scrnIndex, X_INFO, "mm(dpi %ix%i)=%ix%i\n", xDpi, yDpi, pScrn->pScreen->mmWidth, pScrn->pScreen->mmHeight);
++ RRScreenSizeNotify(pScrn->pScreen);
++ RRTellChanged(pScrn->pScreen);
++ }
++#endif
+ return TRUE;
+ }
+
diff --git a/Golden_Repo/x/XServer/0003-fix-pointer-limits.patch b/Golden_Repo/x/XServer/0003-fix-pointer-limits.patch
new file mode 100644
index 0000000000000000000000000000000000000000..3dbb6fd179ffde507036c62700c004914acc5cfb
--- /dev/null
+++ b/Golden_Repo/x/XServer/0003-fix-pointer-limits.patch
@@ -0,0 +1,39 @@
+--- xf86-video-dummy-0.3.6/src/dummy_driver.c 2014-11-05 19:24:02.668656601 +0700
++++ xf86-video-dummy-0.3.6.new/src/dummy_driver.c 2014-11-05 19:37:53.076061853 +0700
+@@ -55,6 +55,9 @@
+ #include <X11/extensions/xf86dgaproto.h>
+ #endif
+
++/* Needed for fixing pointer limits on resize */
++#include "inputstr.h"
++
+ /* Mandatory functions */
+ static const OptionInfoRec * DUMMYAvailableOptions(int chipid, int busid);
+ static void DUMMYIdentify(int flags);
+@@ -713,6 +716,26 @@
+ RRTellChanged(pScrn->pScreen);
+ }
+ #endif
++ //ensure the screen dimensions are also updated:
++ pScrn->pScreen->width = mode->HDisplay;
++ pScrn->pScreen->height = mode->VDisplay;
++ pScrn->virtualX = mode->HDisplay;
++ pScrn->virtualY = mode->VDisplay;
++ pScrn->frameX1 = mode->HDisplay;
++ pScrn->frameY1 = mode->VDisplay;
++
++ //ensure the pointer uses the new limits too:
++ DeviceIntPtr pDev;
++ SpritePtr pSprite;
++ for (pDev = inputInfo.devices; pDev; pDev = pDev->next) {
++ if (pDev->spriteInfo!=NULL && pDev->spriteInfo->sprite!=NULL) {
++ pSprite = pDev->spriteInfo->sprite;
++ pSprite->hotLimits.x2 = mode->HDisplay;
++ pSprite->hotLimits.y2 = mode->VDisplay;
++ pSprite->physLimits.x2 = mode->HDisplay;
++ pSprite->physLimits.y2 = mode->VDisplay;
++ }
++ }
+ return TRUE;
+ }
+
diff --git a/Golden_Repo/x/XServer/XServer-21.1.6-GCCcore-11.3.0.eb b/Golden_Repo/x/XServer/XServer-21.1.6-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..52e47fdb3bf7a8ca3c704a8690f534ae3070d847
--- /dev/null
+++ b/Golden_Repo/x/XServer/XServer-21.1.6-GCCcore-11.3.0.eb
@@ -0,0 +1,280 @@
+easyblock = 'Bundle'
+
+name = 'XServer'
+version = '21.1.6'
+
+homepage = 'https://www.x.org'
+
+description = """
+XServer: X Window System display server.
+
+This module provides a stripped-down installation with minimal driver support.
+"""
+
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = [
+ 'https://www.x.org/archive/individual/xserver/',
+ 'https://www.x.org/archive/individual/driver/'
+]
+
+# OS dependency should be preferred for security reasons
+osdependencies = [
+ ('openssl-devel', 'libssl-dev', 'libopenssl-devel'),
+]
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('pkgconf', '1.8.0'),
+ ('Bison', '3.8.2'),
+ ('Meson', '0.62.1'),
+ ('Ninja', '1.10.2'),
+ ('flex', '2.6.4'),
+ ('Bison', '3.8.2'),
+]
+
+dependencies = [
+ ('libdrm', '2.4.110'),
+ ('OpenGL', '2022a'),
+ ('pixman', '0.40.0'),
+ ('X11', '20220504'),
+ ('freetype', '2.12.1'),
+ ('fontconfig', '2.14.0'),
+ ('ncurses', '6.3'),
+ ('libepoxy', '1.5.10'),
+ ('eudev', '3.2.11'),
+ ('libtirpc', '1.3.2'),
+]
+
+local_font_preconfigopts = "export PKG_CONFIG_PATH=%(installdir)s/lib/pkgconfig:$PKG_CONFIG_PATH && "
+local_font_preconfigopts += "export PATH=%(installdir)s/bin:$PATH && "
+local_font_preconfigopts += "export FONTCONFIG_FILE=%(installdir)s/config/fontconfig/fonts.conf && "
+
+# https://github.com/freedesktop/xorg-xserver/blob/master/meson_options.txt
+local_xorg_configopts = "-D default_font_path=%(installdir)s/share/fonts/X11 "
+local_xorg_configopts += "-D xorg=true "
+local_xorg_configopts += "-D xvfb=true "
+local_xorg_configopts += "-D xnest=true "
+local_xorg_configopts += "-D xephyr=true "
+local_xorg_configopts += "-D udev=true "
+local_xorg_configopts += "-D glamor=true "
+local_xorg_configopts += "-D systemd_logind=false "
+# local_xorg_configopts += "-D suid_wrapper=true "
+local_xorg_configopts += "-D xkb_dir=%(installdir)s/share/X11/xkb "
+# local_xorg_configopts += "-D xkb_output_dir=/var/lib/xkb "
+
+default_easyblock = 'ConfigureMake'
+
+default_component_specs = {
+ 'sources': [SOURCE_TAR_GZ],
+ 'start_dir': '%(name)s-%(version)s',
+}
+
+components = [
+ ('fontconfig-config', '1.0.0', {
+ 'easyblock': 'Binary',
+ 'source_urls': ['https://gitlab.version.fz-juelich.de/goebbert1/fontconfig-config/-/archive/v%(version)s/'],
+ 'sources': ['%(name)s-v%(version)s.tar.gz'],
+ 'start_dir': '%(name)s-v%(version)s',
+ 'extract_sources': True,
+ 'install_cmd': (
+ 'cp -a %(builddir)s/%(name)s-v%(version)s/* %(installdir)s/ && '
+ 'sed -i \'s@$EBROOTXSERVER@\'"%(installdir)s"\'@g\' %(installdir)s/share/X11/xorg.conf.d/99-fonts.conf'
+ ),
+ 'checksums': [('sha256', '68544c183d153f34105fa08573174650bfe643a6d750bd9da4accac399d375db')],
+ # to activate this fontconfig you need to export FONTCONFIG_FILE=${EBROOTXSERVER}/config/fontconfig/fonts.conf
+ }),
+ ('mkfontscale', '1.2.2', {
+ 'source_urls': ['https://www.x.org/archive/individual/app/'],
+ 'checksums': ['4a5af55e670713024639a7f7d10826d905d86faf574cd77e0f5aef2d00e70168'],
+ }),
+ ('mkfontdir', '1.0.7', {
+ 'source_urls': ['https://www.x.org/archive/individual/app/'],
+ 'checksums': ['bccc5fb7af1b614eabe4a22766758c87bfc36d66191d08c19d2fa97674b7b5b7'],
+ }),
+ ('bdftopcf', '1.1', {
+ 'source_urls': ['https://www.x.org/archive/individual/app/'],
+ 'checksums': ['699d1a62012035b1461c7f8e3f05a51c8bd6f28f348983249fb89bbff7309b47'],
+ }),
+ ('font-util', '1.3.3', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', '2094dd4a1ca63a61deb101d2dc618682d6e287cdbe09679502223ac445d277dc')],
+ }),
+ ('encodings', '1.0.6', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', 'c89c0636cda8f34eb28304263fc9a5441635ac3cb9da23efefe8f584174cba29')],
+ }),
+ ('font-alias', '1.0.4', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', '49525fa6f2c3f3b54f461b2e0649b0ac61af50c36bf40069355a25ced8ce2028')],
+ }),
+ ('dejavu', '2.37', {
+ 'easyblock': 'Binary',
+ 'source_urls': [SOURCEFORGE_SOURCE],
+ 'sources': ['%(name)s-fonts-ttf-%(version)s.tar.bz2'],
+ 'extract_sources': True,
+ 'start_dir': 'dejavu-fonts-ttf-2.37',
+ 'install_cmd': ('install -v -d -m755 %(installdir)s/share/fonts/dejavu && '
+ 'install -v -m644 ttf/*.ttf %(installdir)s/share/fonts/dejavu'),
+ 'checksums': [('sha256', 'fa9ca4d13871dd122f61258a80d01751d603b4d3ee14095d65453b4e846e17d7')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-adobe-75dpi', '1.0.3', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', '61eb1fcfec89f7435cb92cd68712fbe4ba412ca562b1f5feec1f6daa1b8544f6')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-adobe-100dpi', '1.0.3', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', '97d9c1e706938838e4134d74f0836ae9d9ca6705ecb405c9a0ac8fdcbd9c2159')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-cursor-misc', '1.0.3', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', 'a0b146139363dd0a704c7265ff9cd9150d4ae7c0d248091a9a42093e1618c427')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-adobe-utopia-type1', '1.0.4', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', 'd9e86a8805b0fb78222409169d839a8531a1f5c7284ee117ff2a0af2e5016c3f')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-misc-misc', '1.1.2', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', '46142c876e176036c61c0c24c0a689079704d5ca5b510d48c025861ee2dbf829')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ # Fails because it tries to create a directory outside of %(installdir)s
+ # => test -z "<PKG_CONFIG-Fontconfig>/etc/fonts/conf.avail" ||
+ # /usr/bin/mkdir -p "<PKG_CONFIG-Fontconfig>/etc/fonts/conf.avail"
+ # ('font-bh-ttf', '1.0.3', {
+ # 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ # 'sources': ['%(name)s-%(version)s.tar.gz'],
+ # 'checksums': [('sha256', 'c583b4b968ffae6ea30d5b74041afeac83126682c490a9624b770d60d0e63d59')],
+ # 'preconfigopts': local_font_preconfigopts,
+ # }),
+ ('font-bh-type1', '1.0.3', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', 'd5602f1d749ccd31d3bc1bb6f0c5d77400de0e5e3ac5abebd2a867aa2a4081a4')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-ibm-type1', '1.0.3', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', '4509703e9e581061309cf4823bffd4a93f10f48fe192a1d8be1f183fd6ab9711')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-misc-ethiopic', '1.0.4', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', 'f7901250fb746815065cfe13a814d92260348fede28d61dcab0d05c5d8eafd54')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('font-xfree86-type1', '1.0.4', {
+ 'source_urls': ['https://www.x.org/pub/individual/font/'],
+ 'sources': ['%(name)s-%(version)s.tar.gz'],
+ 'checksums': [('sha256', '02b3839ae79ba6a7750525bb3b0c281305664b95bf63b4a0baa230a277b4f928')],
+ 'preconfigopts': local_font_preconfigopts,
+ }),
+ ('xkbcomp', '1.4.6', {
+ 'source_urls': ['https://www.x.org/archive//individual/app/'],
+ 'checksums': ['b216a2c8c0eab83f3dc4a3d5ee2bdf7827b30e49c8907035d0f222138eca0987'],
+ }),
+ ('xkeyboard-config', '2.38', {
+ 'easyblock': 'MesonNinja',
+ 'source_urls': ['https://www.x.org/archive//individual/data/xkeyboard-config/'],
+ 'sources': ['%(name)s-%(version)s.tar.xz'],
+ 'checksums': ['0690a91bab86b18868f3eee6d41e9ec4ce6894f655443d490a2184bfac56c872'],
+ # https://gitlab.freedesktop.org/xkeyboard-config/xkeyboard-config/-/blob/master/meson_options.txt
+ 'configopts': '-Dxorg-rules-symlinks=true',
+ }),
+ ('xauth', '1.1', {
+ 'source_urls': ['https://www.x.org/releases/individual/app/'],
+ 'checksums': ['e9fce796c8c5c9368594b9e8bbba237fb54b6615f5fd60e8d0a5b3c52a92c5ef'],
+ }),
+ ('libxcvt', '0.1.2', {
+ 'easyblock': 'MesonNinja',
+ 'source_urls': ['https://www.x.org/archive/individual/lib/'],
+ 'sources': [SOURCE_TAR_XZ],
+ 'checksums': ['0561690544796e25cfbd71806ba1b0d797ffe464e9796411123e79450f71db38'],
+ }),
+ ('xorg-server', version, {
+ 'easyblock': 'MesonNinja',
+ 'patches': [('xvfb-run', '.')],
+ 'checksums': [
+ ('sha256', '6f9c73ccc50e2731adac17671c8e33687738c8cd556b49ecb9f410ce7217be11'),
+ ('sha256', 'fd6d13182b77871d4f65fccdaebb8a72387a726426066d3f8e6aa26b010ea0e8'),
+ ],
+ 'configopts': local_xorg_configopts,
+ }),
+ ('xf86-video-dummy', '0.4.0', {
+ 'preconfigopts': 'PKG_CONFIG_PATH=$PKG_CONFIG_PATH:%(installdir)s/lib/pkgconfig',
+ 'sources': ['%(name)s-%(version)s.tar.xz'],
+ 'checksums': [
+ # xf86-video-dummy-0.4.0.tar.gz
+ ('sha256', 'e78ceae5c8c0588c7cb658f2afc3a9fac9ef665b52a75b01f8e9c5449a4e1e5a'),
+ # 0002-Constant-DPI.patch
+ ('sha256', '3add13392168d271822e694aba21327dc3219f61f2091a12ef7009d3f090c662'),
+ # 0003-fix-pointer-limits.patch
+ ('sha256', '8af95b0b0e7f4d7de3bd1654260c3677d76ef91b8d6a66cb57b9c3af1e024fa2'),
+ ],
+ 'patches': [
+ '0002-Constant-DPI.patch',
+ '0003-fix-pointer-limits.patch',
+ ],
+ }),
+ ('xterm', '378', {
+ 'source_urls': ['http://invisible-mirror.net/archives/xterm/'],
+ 'sources': ['%(name)s-%(version)s.tgz'],
+ 'checksums': [
+ # xterm-369.tgz
+ ('sha256', '649dfbfd5edd0ed9e47cf8e4d953b4b0d3c30bc280166dfc4ffd14973fec3e92'),
+ # xterm-cursesloc.patch
+ ('sha256', 'ff15331ba1a2c67f68e3da3595ffc457d7aea5392a75d8cdfe40e2126ece99a2'),
+ ],
+ 'patches': ['xterm-cursesloc.patch'],
+ 'configopts': " --with-app-defaults=%(installdir)s/app-defaults ",
+ }),
+]
+
+# we need to set the permissions our self to ensure no-one messes in this directory
+# FIXME: easybuild does not support this in 4.3.0 -> hence you have to do it manually
+skipsteps = ['permissions']
+postinstallcmds = [
+ 'chmod -R ugo-w %(installdir)s/config',
+ 'chmod -R ugo-w %(installdir)s/share',
+ 'install -m 0755 %(builddir)s/xorg-server-%(version)s/xvfb-run %(installdir)s/bin/',
+]
+
+modextrapaths = {
+ 'XDG_CONFIG_DIRS': 'config',
+ 'XUSERFILESEARCHPATH': 'app-defaults/%N-%C',
+}
+
+# FONTCONFIG_FILE is used to override the default configuration file
+modextravars = {
+ 'FONTCONFIG_FILE': '%(installdir)s/config/fontconfig/fonts.conf'}
+
+sanity_check_paths = {
+ 'files': ['bin/Xorg', 'bin/Xvfb', 'bin/xvfb-run',
+ 'lib/xorg/modules/drivers/dummy_drv.la', 'lib/xorg/modules/drivers/dummy_drv.so',
+ 'bin/xterm'],
+ 'dirs': [],
+}
+
+sanity_check_commands = [
+ "xvfb-run --help",
+ "xvfb-run --error-file %(builddir)s/xvfb-run-test.err echo hello",
+]
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/x/XServer/xterm-cursesloc.patch b/Golden_Repo/x/XServer/xterm-cursesloc.patch
new file mode 100644
index 0000000000000000000000000000000000000000..033c2776b7838ae1907a69f31d75d7ce7d28175f
--- /dev/null
+++ b/Golden_Repo/x/XServer/xterm-cursesloc.patch
@@ -0,0 +1,12 @@
+diff -Naur xterm-362.orig/xtermcap.h xterm-362/xtermcap.h
+--- xterm-362.orig/xtermcap.h 2013-06-23 17:34:37.000000000 +0200
++++ xterm-362/xtermcap.h 2021-02-16 14:00:48.976219215 +0100
+@@ -59,7 +59,7 @@
+ #undef ERR /* workaround for glibc 2.1.3 */
+
+ #ifdef HAVE_NCURSES_CURSES_H
+-#include <ncurses/curses.h>
++#include <curses.h>
+ #else
+ #include <curses.h>
+ #endif
diff --git a/Golden_Repo/x/XServer/xvfb-run b/Golden_Repo/x/XServer/xvfb-run
new file mode 100644
index 0000000000000000000000000000000000000000..237e0dfc5938430d50fe8d30fde1b6defa9c6e42
--- /dev/null
+++ b/Golden_Repo/x/XServer/xvfb-run
@@ -0,0 +1,194 @@
+#!/bin/sh
+
+# extracted from Debian package for xorg-server,
+# via http://deb.debian.org/debian/pool/main/x/xorg-server/xorg-server_1.20.4-1.diff.gz
+
+# This script starts an instance of Xvfb, the "fake" X server, runs a command
+# with that server available, and kills the X server when done. The return
+# value of the command becomes the return value of this script.
+#
+# If anyone is using this to build a Debian package, make sure the package
+# Build-Depends on xvfb and xauth.
+
+set -e
+
+PROGNAME=xvfb-run
+SERVERNUM=99
+AUTHFILE=
+ERRORFILE=/dev/null
+XVFBARGS="-screen 0 1280x1024x24"
+LISTENTCP="-nolisten tcp"
+XAUTHPROTO=.
+
+# Query the terminal to establish a default number of columns to use for
+# displaying messages to the user. This is used only as a fallback in the event
+# the COLUMNS variable is not set. ($COLUMNS can react to SIGWINCH while the
+# script is running, and this cannot, only being calculated once.)
+DEFCOLUMNS=$(stty size 2>/dev/null | awk '{print $2}') || true
+case "$DEFCOLUMNS" in
+ *[!0-9]*|'') DEFCOLUMNS=80 ;;
+esac
+
+# Display a message, wrapping lines at the terminal width.
+message () {
+ echo "$PROGNAME: $*" | fmt -t -w ${COLUMNS:-$DEFCOLUMNS}
+}
+
+# Display an error message.
+error () {
+ message "error: $*" >&2
+}
+
+# Display a usage message.
+usage () {
+ if [ -n "$*" ]; then
+ message "usage error: $*"
+ fi
+ cat <<EOF
+Usage: $PROGNAME [OPTION ...] COMMAND
+Run COMMAND (usually an X client) in a virtual X server environment.
+Options:
+-a --auto-servernum try to get a free server number, starting at
+ --server-num
+-e FILE --error-file=FILE file used to store xauth errors and Xvfb
+ output (default: $ERRORFILE)
+-f FILE --auth-file=FILE file used to store auth cookie
+ (default: ./.Xauthority)
+-h --help display this usage message and exit
+-n NUM --server-num=NUM server number to use (default: $SERVERNUM)
+-l --listen-tcp enable TCP port listening in the X server
+-p PROTO --xauth-protocol=PROTO X authority protocol name to use
+ (default: xauth command's default)
+-s ARGS --server-args=ARGS arguments (other than server number and
+ "-nolisten tcp") to pass to the Xvfb server
+ (default: "$XVFBARGS")
+EOF
+}
+
+# Find a free server number by looking at .X*-lock files in /tmp.
+find_free_servernum() {
+ # Sadly, the "local" keyword is not POSIX. Leave the next line commented in
+ # the hope Debian Policy eventually changes to allow it in /bin/sh scripts
+ # anyway.
+ #local i
+
+ i=$SERVERNUM
+ while [ -f /tmp/.X$i-lock ]; do
+ i=$(($i + 1))
+ done
+ echo $i
+}
+
+# Clean up files
+clean_up() {
+ if [ -e "$AUTHFILE" ]; then
+ XAUTHORITY=$AUTHFILE xauth remove ":$SERVERNUM" >>"$ERRORFILE" 2>&1
+ fi
+ if [ -n "$XVFB_RUN_TMPDIR" ]; then
+ if ! rm -r "$XVFB_RUN_TMPDIR"; then
+ error "problem while cleaning up temporary directory"
+ exit 5
+ fi
+ fi
+ if [ -n "$XVFBPID" ]; then
+ kill "$XVFBPID" >>"$ERRORFILE" 2>&1
+ fi
+}
+
+# Parse the command line.
+ARGS=$(getopt --options +ae:f:hn:lp:s:w: \
+ --long auto-servernum,error-file:,auth-file:,help,server-num:,listen-tcp,xauth-protocol:,server-args:,wait: \
+ --name "$PROGNAME" -- "$@")
+GETOPT_STATUS=$?
+
+if [ $GETOPT_STATUS -ne 0 ]; then
+ error "internal error; getopt exited with status $GETOPT_STATUS"
+ exit 6
+fi
+
+eval set -- "$ARGS"
+
+while :; do
+ case "$1" in
+ -a|--auto-servernum) SERVERNUM=$(find_free_servernum); AUTONUM="yes" ;;
+ -e|--error-file) ERRORFILE="$2"; shift ;;
+ -f|--auth-file) AUTHFILE="$2"; shift ;;
+ -h|--help) SHOWHELP="yes" ;;
+ -n|--server-num) SERVERNUM="$2"; shift ;;
+ -l|--listen-tcp) LISTENTCP="" ;;
+ -p|--xauth-protocol) XAUTHPROTO="$2"; shift ;;
+ -s|--server-args) XVFBARGS="$2"; shift ;;
+ -w|--wait) shift ;;
+ --) shift; break ;;
+ *) error "internal error; getopt permitted \"$1\" unexpectedly"
+ exit 6
+ ;;
+ esac
+ shift
+done
+
+if [ "$SHOWHELP" ]; then
+ usage
+ exit 0
+fi
+
+if [ -z "$*" ]; then
+ usage "need a command to run" >&2
+ exit 2
+fi
+
+if ! command -v xauth >/dev/null; then
+ error "xauth command not found"
+ exit 3
+fi
+
+# tidy up after ourselves
+trap clean_up EXIT
+
+# If the user did not specify an X authorization file to use, set up a temporary
+# directory to house one.
+if [ -z "$AUTHFILE" ]; then
+ XVFB_RUN_TMPDIR="$(mktemp -d -t $PROGNAME.XXXXXX)"
+ AUTHFILE="$XVFB_RUN_TMPDIR/Xauthority"
+ # Create empty file to avoid xauth warning
+ touch "$AUTHFILE"
+fi
+
+# Start Xvfb.
+MCOOKIE=$(mcookie)
+tries=10
+while [ $tries -gt 0 ]; do
+ tries=$(( $tries - 1 ))
+ XAUTHORITY=$AUTHFILE xauth source - << EOF >>"$ERRORFILE" 2>&1
+add :$SERVERNUM $XAUTHPROTO $MCOOKIE
+EOF
+ # handle SIGUSR1 so Xvfb knows to send a signal when it's ready to accept
+ # connections
+ trap : USR1
+ (trap '' USR1; exec Xvfb ":$SERVERNUM" $XVFBARGS $LISTENTCP -auth $AUTHFILE >>"$ERRORFILE" 2>&1) &
+ XVFBPID=$!
+
+ wait || :
+ if kill -0 $XVFBPID 2>/dev/null; then
+ break
+ elif [ -n "$AUTONUM" ]; then
+ # The display is in use so try another one (if '-a' was specified).
+ SERVERNUM=$((SERVERNUM + 1))
+ SERVERNUM=$(find_free_servernum)
+ continue
+ fi
+ error "Xvfb failed to start" >&2
+ XVFBPID=
+ exit 1
+done
+
+# Start the command and save its exit status.
+set +e
+DISPLAY=:$SERVERNUM XAUTHORITY=$AUTHFILE "$@"
+RETVAL=$?
+set -e
+
+# Return the executed command's exit status.
+exit $RETVAL
+
+# vim:set ai et sts=4 sw=4 tw=80:
diff --git a/Golden_Repo/x/xarray/xarray-2022.9.0-gcccoremkl-11.3.0-2022.1.0.eb b/Golden_Repo/x/xarray/xarray-2022.9.0-gcccoremkl-11.3.0-2022.1.0.eb
index 722fc8708b73a4f63e38a1065d03745a07d83a1e..176a4fa78fb99dcdc9e108de39c5d70d03e0101d 100644
--- a/Golden_Repo/x/xarray/xarray-2022.9.0-gcccoremkl-11.3.0-2022.1.0.eb
+++ b/Golden_Repo/x/xarray/xarray-2022.9.0-gcccoremkl-11.3.0-2022.1.0.eb
@@ -16,6 +16,11 @@ checksums = ['a2a5b48ec0a3890b71ef48853fe9d5107d2f75452722f319cb8ed6ff8e72e883']
dependencies = [
('Python', '3.10.4'),
('SciPy-bundle', '2022.05'), # required for numpy, pandas
+ ('netcdf4-python', '1.6.1', '-serial'),
+ ('h5py', '3.7.0', '-serial'),
+ ('dask', '2022.12.0'),
+ ('matplotlib', '3.5.2'),
+ ('Seaborn', '0.12.1'),
]
download_dep_fail = True
diff --git a/Golden_Repo/x/xpra/xpra-4.4.3-use_Xorg_on_PATH_first.patch b/Golden_Repo/x/xpra/xpra-4.4.3-use_Xorg_on_PATH_first.patch
new file mode 100644
index 0000000000000000000000000000000000000000..5b9bd50cbd49041765a9758ca2f9dafd0a4e00a8
--- /dev/null
+++ b/Golden_Repo/x/xpra/xpra-4.4.3-use_Xorg_on_PATH_first.patch
@@ -0,0 +1,29 @@
+diff -Naur xpra-4.4.3.orig/xpra/scripts/config.py xpra-4.4.3/xpra/scripts/config.py
+--- xpra-4.4.3.orig/xpra/scripts/config.py 2022-11-27 15:21:57.000000000 +0100
++++ xpra-4.4.3/xpra/scripts/config.py 2023-02-08 00:44:55.979689272 +0100
+@@ -69,6 +69,13 @@
+ xorg = os.environ.get("XPRA_XORG_BIN")
+ if xorg:
+ return xorg
++
++ #look for it in $PATH:
++ for x in os.environ.get("PATH").split(os.pathsep): # pragma: no cover
++ xorg = os.path.join(x, "Xorg")
++ if os.path.isfile(xorg):
++ return xorg
++
+ # Detect Xorg Binary
+ if is_arm() and is_Debian() and os.path.exists("/usr/bin/Xorg"):
+ #Raspbian breaks if we use a different binary..
+@@ -82,11 +89,6 @@
+ ):
+ if os.path.exists(p):
+ return p
+- #look for it in $PATH:
+- for x in os.environ.get("PATH").split(os.pathsep): # pragma: no cover
+- xorg = os.path.join(x, "Xorg")
+- if os.path.isfile(xorg):
+- return xorg
+ return None
+
+
diff --git a/Golden_Repo/x/xpra/xpra-4.4.6-GCCcore-11.3.0.eb b/Golden_Repo/x/xpra/xpra-4.4.6-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8faafd7fe008a8c8156c7675cfd22af1b0267b55
--- /dev/null
+++ b/Golden_Repo/x/xpra/xpra-4.4.6-GCCcore-11.3.0.eb
@@ -0,0 +1,234 @@
+easyblock = 'Bundle'
+
+name = 'xpra'
+version = '4.4.6'
+local_xprahtml5_version = '8.1'
+
+homepage = "http://www.xpra.org"
+description = """Xpra is an open-source multi-platform persistent remote display server and client
+for forwarding applications and desktop screens.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('pkgconf', '1.8.0'),
+ ('Brotli', '1.0.9'),
+ ('uglifyjs', '3.17.4'),
+ ('CMake', '3.23.1'),
+ ('Meson', '0.62.1'),
+ ('scikit-build', '0.15.0'), # for patchelf
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('X11', '20220504'),
+ ('OpenGL', '2022a'),
+ ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+ ('PyCairo', '1.23.0'),
+ ('PyGObject', '3.42.2'),
+ ('Pandoc', '2.19.2', '', SYSTEM),
+ ('GTK+', '3.24.34'),
+ ('rencode', '1.0.5'),
+ ('lz4', '1.9.3'),
+ ('yuicompressor', '2.4.8'),
+ ('x264', '20220620'),
+ ('x265', '3.5'),
+ ('libvpx', '1.12.0'),
+ ('FFmpeg', '4.4.2'),
+ ('GStreamer', '1.20.2'),
+ ('libwebp', '1.2.4'),
+ ('libpng', '1.6.37'),
+ ('libspng', '0.7.3'),
+ ('libjpeg-turbo', '2.1.3'),
+ ('zlib', '1.2.12'),
+ ('LibTIFF', '4.3.0'),
+ ('nvidia-Video_Codec_SDK', '11.1.5', '', SYSTEM),
+ ('freetype', '2.12.1'),
+ ('libyuv', '20210428'),
+ ('DBus', '1.14.0'),
+ ('XServer', '21.1.6'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('PyCUDA', '2022.1'),
+]
+
+prebuildopts = 'export CFLAGS="-Wno-error=unused-function" && '
+
+# this is a bundle of Python packages
+exts_defaultclass = 'PythonPackage'
+exts_default_options = {
+ 'use_pip': True,
+ 'source_urls': [PYPI_SOURCE],
+ 'sanity_pip_check': True,
+ 'use_pip_for_deps': False,
+ 'download_dep_fail': True,
+}
+
+exts_list = [
+ ('pyinotify', '0.9.6', {
+ 'checksums': ['9c998a5d7606ca835065cdabc013ae6c66eb9ea76a00a1e3bc6e0cfe2b4f71f4'],
+ }),
+ ('pyproject-metadata', '0.7.1', {
+ 'checksums': ['0a94f18b108b9b21f3a26a3d541f056c34edcb17dc872a144a15618fed7aef67'],
+ }),
+ ('meson', '1.0.0', {
+ 'modulename': False,
+ 'checksums': ['aa50a4ba4557c25e7d48446abfde857957dcdf58385fffbe670ba0e8efacce05'],
+ }),
+ ('meson_python', '0.12.0', {
+ 'modulename': 'mesonpy',
+ 'checksums': ['8cb159a8093a2e73cfa897f8092ec93b74e3842f94dff7fde381c6fe0e0b064d'],
+ }),
+ ('patchelf', '0.17.2.0', {
+ 'modulename': False,
+ 'checksums': ['dedf987a83d7f6d6f5512269e57f5feeec36719bd59567173b6d9beabe019efe'],
+ }),
+ ('dbus-python', '1.3.2', {
+ 'modulename': 'dbus',
+ 'checksums': ['ad67819308618b5069537be237f8e68ca1c7fcc95ee4a121fe6845b1418248f8'],
+ }),
+ ('pyxdg', '0.28', {
+ 'modulename': 'xdg',
+ 'checksums': ['3267bb3074e934df202af2ee0868575484108581e6f3cb006af1da35395e88b4'],
+ }),
+ # kernel module for uinput not loaded on hpc systems
+ ('python-uinput', '0.11.2', {
+ 'modulename': 'uinput',
+ 'checksums': ['99392b676c77b5795b86b7d75274db33fe754fd1e06fb3d58b167c797dc47f0c'],
+ }),
+ ('ifaddr', '0.2.0', {
+ 'checksums': ['cc0cbfcaabf765d44595825fb96a99bb12c79716b73b44330ea38ee2b0c4aed4'],
+ }),
+ ('async-timeout', '4.0.2', {
+ 'checksums': ['2163e1640ddb52b7a8c80d0a67a08587e5d245cc9c553a74a847056bc2976b15'],
+ }),
+ ('zeroconf', '0.47.1', {
+ 'checksums': ['65ab91068f8fafe00856b63756c72296b69682709681e96e8bb5d101345d5011'],
+ }),
+ ('Pillow', '9.5.0', {
+ 'modulename': 'PIL',
+ 'checksums': ['bf548479d336726d7a0eceb6e767e179fbde37833ae42794602631a070d630f1'],
+ }),
+ ('Brotli', '1.0.9', {
+ 'modulename': 'brotli',
+ 'source_tmpl': '%(name)s-%(version)s.zip',
+ 'checksums': ['4d1b810aa0ed773f81dceda2cc7b403d01057458730e309856356d4ef4188438'],
+ }),
+ (name, version, {
+ 'modulename': False,
+ 'buildopts': (
+ '--without-strict --without-uinput --with-Xdummy '
+ '--with-nvenc --with-nvjpeg_encoder --with-enc_x264 --with-enc_x265 '
+ ),
+ 'installopts': "--with-tests --without-service",
+ 'source_tmpl': 'v%(version)s.tar.gz',
+ 'source_urls': ['https://github.com/Xpra-org/%(name)s/archive/'],
+ 'patches': ['xpra-4.4.3-use_Xorg_on_PATH_first.patch'],
+ 'use_pip': False,
+ 'checksums': [
+ '7fec998cf9816df3f0fa5ded01903b07211b0c36a7316c9e9bf6db8b80fb477a',
+ 'ff1e8984f367ebcc90b56d2c1b87012a7ce53fe4f68686cf042e5bbce16be198',
+ ],
+ }),
+ ('xpra-html5', local_xprahtml5_version, {
+ 'modulename': False,
+ 'skipsteps': [
+ 'configure',
+ 'build',
+ 'install',
+ ],
+ 'source_tmpl': 'v%(version)s.tar.gz',
+ 'source_urls': ['https://github.com/Xpra-org/%(name)s/archive/'],
+ 'use_pip': False,
+ 'patches': [
+ 'xprahtml_OffscreenCanvas.patch',
+ 'xprahtml_uint8_p255.patch',
+ 'xprahtml_timeout.patch',
+ 'xprahtml_depcleanup_p257.patch',
+ ],
+ 'checksums': [
+ '3b1765aa3aacde03d7e6f53aecb9d96421808bf63b322f74f9ec77a2a8b5b379',
+ '4ebc8ce718daa9bf9f7c7900746b2e484feda9b269505c723d2fc40682802d60',
+ '74f1edc64fbbc151740b10020d18caebf83c890fa27f641d84ca090a9f693739',
+ '86e46d5fb377701e767386b372d7d238c41aa788d560d334596afb662ef897f4',
+ '60f7e77530a3faf640188b5dbf5f1a2d288b8d8ab9af817d74d5faba37081940',
+ ],
+ }),
+]
+
+postinstallcmds = [
+ # link to dirs in installed xpra-egg
+ (
+ 'EGGPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages'
+ '/xpra-%(version)s-py%(pyshortver)s-linux-x86_64.egg/ && '
+ 'mkdir -p %(installdir)s/share && '
+ 'mv %(installdir)s/share/man %(installdir)s/share/man.bk || true && '
+ 'ln -s ${EGGPATH}/share/* %(installdir)s/share/ && '
+ 'mkdir -p %(installdir)s/etc/ && '
+ 'ln -s ${EGGPATH}/etc/* %(installdir)s/etc/ '
+ ),
+ # installing xpra-html5
+ (
+ 'pushd %%(builddir)s/xprahtml5/xpra-html5-%s && '
+ './setup.py install %%(installdir)s /share/xpra/www /etc/xpra/html5-client && '
+ 'popd && '
+ 'pushd %%(installdir)s/share/xpra/www && '
+ 'ln -sf ../../../etc/xpra/html5-client/default-settings.txt && '
+ 'popd'
+ ) % (local_xprahtml5_version),
+ # set specific configurations
+ (
+ # fix the xvfb call
+ "sed -i '/^[[:space:]]* \"${XORG_CONFIG_PREFIX}/c\ "
+ " \"%(installdir)s/etc/xpra/xorg.conf\"'"
+ " %(installdir)s/etc/xpra/conf.d/55_server_x11.conf && "
+ # initialize script that can modify the environment of the server
+ 'touch %(installdir)s/etc/xpra/server.env && '
+ "sed -i 's!^source =.*!source = %(installdir)s/etc/xpra/server.env!' "
+ " %(installdir)s/etc/xpra/conf.d/60_server.conf && "
+ # limit socket-dirs to /tmp
+ "sed -i 's/^socket-dirs =/#&/' "
+ " %(installdir)s/etc/xpra/conf.d/10_network.conf && "
+ "sed -i 's/^#socket-dirs = \/tmp/socket-dirs = \/tmp/' "
+ " %(installdir)s/etc/xpra/conf.d/10_network.conf "
+ ),
+ # make Xpra randomly choose a GPU for acceleration if present
+ 'mv %(installdir)s/bin/xpra %(installdir)s/bin/xpra.orig',
+ 'head -1 %(installdir)s/bin/xpra.orig > %(installdir)s/bin/xpra',
+ (
+ '{ cat >> %(installdir)s/bin/xpra; } << \'EOF\'\n'
+ 'from os import environ \n'
+ 'if not \'CUDA_VISIBLE_DEVICES\' in environ: \n'
+ ' try: \n'
+ ' from pycuda import driver \n'
+ ' driver.init() \n'
+ ' num_gpus = driver.Device.count() \n'
+ ' except: \n'
+ ' num_gpus = 0 \n'
+ '\n'
+ ' if num_gpus > 0: \n'
+ ' from random import randint \n'
+ ' active_gpuid=randint(0,num_gpus-1) \n'
+ ' environ[\'CUDA_VISIBLE_DEVICES\'] = str(active_gpuid) \n'
+ 'EOF'
+ ),
+ 'tail -n +2 %(installdir)s/bin/xpra.orig >> %(installdir)s/bin/xpra',
+ 'chmod +x %(installdir)s/bin/xpra',
+]
+
+modextravars = {
+ 'XPRA_SYSTEM_CONF_DIRS': '%(installdir)s/etc/xpra',
+ # 'XPRA_XORG_BIN': '%(installdir)s/bin/xpra', # fails if defined at install time. Added patch instead.
+}
+modextrapaths = {
+ 'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_paths = {
+ 'files': ['bin/xpra'],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+moduleclass = 'vis'
diff --git a/Golden_Repo/x/xpra/xprahtml_OffscreenCanvas.patch b/Golden_Repo/x/xpra/xprahtml_OffscreenCanvas.patch
new file mode 100644
index 0000000000000000000000000000000000000000..f360470026c86cfc6446df2a26dbcbf928a8e6fc
--- /dev/null
+++ b/Golden_Repo/x/xpra/xprahtml_OffscreenCanvas.patch
@@ -0,0 +1,57 @@
+diff -Naur xprahtml5.orig/xpra-html5-8.1/html5/js/OffscreenDecodeWorkerHelper.js xprahtml5/xpra-html5-8.1/html5/js/OffscreenDecodeWorkerHelper.js
+--- xprahtml5.orig/xpra-html5-8.1/html5/js/OffscreenDecodeWorkerHelper.js 2023-07-06 09:03:43.499513815 +0200
++++ xprahtml5/xpra-html5-8.1/html5/js/OffscreenDecodeWorkerHelper.js 2023-07-06 09:01:44.073357671 +0200
+@@ -12,10 +12,40 @@
+ */
+
+ const XpraOffscreenWorker = {
++
++ // OffscreenCanvas req. this bugfix https://github.com/WebKit/WebKit/pull/11534
++ isSafariVersionSupported() {
++ var match = navigator.userAgent.match(/version\/(\d+\.\d+)/i);
++ if (match && match[1]) {
++ var version = parseFloat(match[1]);
++ return version >= 999.0;
++ }
++ return false;
++ },
++
++ // OffscreenCanvas supported since v.106
++ // transferToimageBitmap fixed since v.108 (bug-id: 1794956)
++ isFirefoxVersionSupported() {
++ var match = navigator.userAgent.match(/firefox\/(\d+)/i);
++ if (match && match[1]) {
++ var version = parseInt(match[1], 10);
++ return version >= 108;
++ }
++ return false;
++ },
++
+ isAvailable() {
+- // We do not support firefox as it makes canvases flicker
+- const isFirefox = navigator.userAgent.toLowerCase().includes("firefox");
+- if (typeof OffscreenCanvas !== "undefined" && !isFirefox) {
++ var isSafari = navigator.userAgent.toLowerCase().includes("safari");
++ if (isSafari && !this.isSafariVersionSupported()) {
++ return false;
++ }
++
++ var isFirefox = navigator.userAgent.toLowerCase().includes("firefox");
++ if (isFirefox && this.isFirefoxVersionSupported()) {
++ return false;
++ }
++
++ if (typeof OffscreenCanvas !== "undefined") {
+ //we also need the direct constructor:
+ try {
+ new OffscreenCanvas(256, 256);
+@@ -25,7 +55,8 @@
+ }
+ }
+ console.warn(
+- "Offscreen decoding is not available. Please consider using Google Chrome for better performance."
++ "Offscreen decoding is not available. Please consider using " +
++ "Google Chrome, Firefox >= 108 or Safari >= 16.4 for better performance."
+ );
+ return false;
+ },
diff --git a/Golden_Repo/x/xpra/xprahtml_depcleanup_p257.patch b/Golden_Repo/x/xpra/xprahtml_depcleanup_p257.patch
new file mode 100644
index 0000000000000000000000000000000000000000..310b21dc4f4830f04787ef009684c63cf9a07fba
--- /dev/null
+++ b/Golden_Repo/x/xpra/xprahtml_depcleanup_p257.patch
@@ -0,0 +1,128 @@
+From eaaee8a1a07e07159feaa93e5bf83f0dab706c52 Mon Sep 17 00:00:00 2001
+From: Jens Henrik Goebbert <j.goebbert@fz-juelich.de>
+Date: Thu, 6 Jul 2023 16:43:05 +0200
+Subject: [PATCH 1/3] load Utilities.js in index.html first
+
+In general Utilities.js should be loaded first as it provides functions for others.
+---
+ html5/index.html | 2 +-
+ 1 file changed, 1 insertion(+), 1 deletion(-)
+
+diff --git a/html5/index.html b/html5/index.html
+index f58b13f7..ae0e9f1d 100644
+--- a/html5/index.html
++++ b/html5/index.html
+@@ -63,12 +63,12 @@
+ <script type="text/javascript" src="js/lib/jszip.js"></script>
+ <script type="text/javascript" src="js/lib/detect-zoom.js"></script>
+
++ <script type="text/javascript" src="js/Utilities.js"></script>
+ <script type="text/javascript" src="js/Keycodes.js"></script>
+ <script type="text/javascript" src="js/Protocol.js"></script>
+ <script type="text/javascript" src="js/Window.js"></script>
+ <script type="text/javascript" src="js/Notifications.js"></script>
+ <script type="text/javascript" src="js/Constants.js"></script>
+- <script type="text/javascript" src="js/Utilities.js"></script>
+ <script type="text/javascript" src="js/MediaSourceUtil.js"></script>
+ <script type="text/javascript" src="js/RgbHelpers.js"></script>
+ <script type="text/javascript" src="js/VideoDecoder.js"></script>
+
+From 37009b28dbd259d1ddfa2544dbeeab96e70ae765 Mon Sep 17 00:00:00 2001
+From: Jens Henrik Goebbert <j.goebbert@fz-juelich.de>
+Date: Thu, 6 Jul 2023 16:46:36 +0200
+Subject: [PATCH 2/3] add function ord() to Utilities.js
+
+---
+ html5/js/Utilities.js | 4 ++++
+ 1 file changed, 4 insertions(+)
+
+diff --git a/html5/js/Utilities.js b/html5/js/Utilities.js
+index acfa18ba..129ab7e7 100644
+--- a/html5/js/Utilities.js
++++ b/html5/js/Utilities.js
+@@ -55,6 +55,10 @@ const Utilities = {
+ return s.join("");
+ },
+
++ ord(c) {
++ return c.charCodeAt(0);
++ },
++
+ getSecureRandomString(length_) {
+ const crypto = window.crypto || window.mscrypto;
+ if (!crypto) {
+
+From 5996e3ef60a861627399e150514bf7b70054495c Mon Sep 17 00:00:00 2001
+From: Jens Henrik Goebbert <j.goebbert@fz-juelich.de>
+Date: Thu, 6 Jul 2023 16:49:56 +0200
+Subject: [PATCH 3/3] use functions from Utilities.js
+
+---
+ html5/js/Protocol.js | 19 ++++++-------------
+ 1 file changed, 6 insertions(+), 13 deletions(-)
+
+diff --git a/html5/js/Protocol.js b/html5/js/Protocol.js
+index ed1ed0ad..67f5de4d 100644
+--- a/html5/js/Protocol.js
++++ b/html5/js/Protocol.js
+@@ -234,14 +234,6 @@ class XpraProtocol {
+ console.log.apply(console, arguments);
+ }
+
+- StringToUint8(string_) {
+- return Uint8Array.from([...string_].map((x) => x.charCodeAt(0)));
+- }
+-
+- ord(c) {
+- return c.charCodeAt(0);
+- }
+-
+ do_process_receive_queue() {
+ if (this.header.length < 8 && this.rQ.length > 0) {
+ //add from receive queue data to header until we get the 8 bytes we need:
+@@ -360,7 +352,7 @@ class XpraProtocol {
+
+ // decrypt if needed
+ if (proto_crypto) {
+- this.cipher_in.update(forge.util.createBuffer(Uint8ToString(packet_data)));
++ this.cipher_in.update(forge.util.createBuffer(Utilities.Uint8ToString(packet_data)));
+ const decrypted = this.cipher_in.output.getBytes();
+ if (!decrypted || decrypted.length < packet_size - padding) {
+ this.error("error decrypting packet using", this.cipher_in);
+@@ -376,7 +368,7 @@ class XpraProtocol {
+ this.raw_packets = [];
+ return this.rQ.length > 0;
+ }
+- packet_data = this.StringToUint8(
++ packet_data = Utilities.StringToUint8(
+ decrypted.slice(0, packet_size - padding)
+ );
+ }
+@@ -472,7 +464,7 @@ class XpraProtocol {
+ this.cipher_out_block_size -
+ (payload_size % this.cipher_out_block_size);
+ let input_data =
+- typeof bdata === "string" ? bdata : Uint8ToString(bdata);
++ typeof bdata === "string" ? bdata : Utilities.Uint8ToString(bdata);
+ if (padding_size) {
+ const padding_char = String.fromCharCode(padding_size);
+ input_data += padding_char.repeat(padding_size);
+@@ -498,7 +490,7 @@ class XpraProtocol {
+ } else {
+ //copy string one character at a time..
+ for (let index = 0; index < actual_size; index++) {
+- packet_data[8 + index] = this.ord(bdata[index]);
++ packet_data[8 + index] = Utilities.ord(bdata[index]);
+ }
+ }
+ // put into buffer before send
+@@ -624,7 +616,8 @@ if (
+ "lib/lz4.js",
+ "lib/brotli_decode.js",
+ "lib/forge.js",
+- "lib/rencode.js"
++ "lib/rencode.js",
++ "Utilities.js"
+ );
+ // make protocol instance
+ const protocol = new XpraProtocol();
diff --git a/Golden_Repo/x/xpra/xprahtml_timeout.patch b/Golden_Repo/x/xpra/xprahtml_timeout.patch
new file mode 100644
index 0000000000000000000000000000000000000000..bffade67cf5807077fa3952efabfdfecec79ef67
--- /dev/null
+++ b/Golden_Repo/x/xpra/xprahtml_timeout.patch
@@ -0,0 +1,31 @@
+diff -Naur xprahtml5.orig/xpra-html5-8.1/html5/js/Client.js xprahtml5/xpra-html5-8.1/html5/js/Client.js
+--- xprahtml5.orig/xpra-html5-8.1/html5/js/Client.js 2023-06-15 19:31:48.000000000 +0200
++++ xprahtml5/xpra-html5-8.1/html5/js/Client.js 2023-07-06 17:21:36.569495387 +0200
+@@ -134,11 +134,11 @@
+ this.reconnect_delay = 1000; //wait 1 second before retrying
+ this.reconnect_attempt = 0;
+ this.swap_keys = Utilities.isMacOS();
+- this.HELLO_TIMEOUT = 30_000;
+- this.PING_TIMEOUT = 15_000;
+- this.PING_GRACE = 2000;
++ this.HELLO_TIMEOUT = 60_000;
++ this.PING_TIMEOUT = 30_000;
++ this.PING_GRACE = 4000;
+ this.PING_FREQUENCY = 5000;
+- this.INFO_FREQUENCY = 1000;
++ this.INFO_FREQUENCY = 2000;
+ this.uuid = Utilities.getHexUUID();
+ this.offscreen_api = DECODE_WORKER && XpraOffscreenWorker.isAvailable();
+ this.try_gpu = TRY_GPU_TRIGGER;
+diff -Naur xprahtml5.orig/xpra-html5-8.1/html5/js/Protocol.js xprahtml5/xpra-html5-8.1/html5/js/Protocol.js
+--- xprahtml5.orig/xpra-html5-8.1/html5/js/Protocol.js 2023-07-06 17:07:50.029528940 +0200
++++ xprahtml5/xpra-html5-8.1/html5/js/Protocol.js 2023-07-06 17:22:02.235743758 +0200
+@@ -15,7 +15,7 @@
+ * brotli_decode.js
+ */
+
+-const CONNECT_TIMEOUT = 15_000;
++const CONNECT_TIMEOUT = 30_000;
+
+ if (!Object.hasOwn) {
+ Object.hasOwn = Object.call.bind(Object.hasOwnProperty);
diff --git a/Golden_Repo/x/xpra/xprahtml_uint8_p255.patch b/Golden_Repo/x/xpra/xprahtml_uint8_p255.patch
new file mode 100644
index 0000000000000000000000000000000000000000..ef551915d763708d8554d19ffbfffa43162230de
--- /dev/null
+++ b/Golden_Repo/x/xpra/xprahtml_uint8_p255.patch
@@ -0,0 +1,68 @@
+From 740724ad355a1b6d30fef6ba3be0a78135ad76c9 Mon Sep 17 00:00:00 2001
+From: Jens Henrik Goebbert <j.goebbert@fz-juelich.de>
+Date: Wed, 5 Jul 2023 19:45:13 +0200
+Subject: [PATCH] fix Protocol.js
+
+- uintToString(..) does not exist. Hence, Uint8ToString(..) from lib/rencode.js imported at line 627 is used
+- Utilities is not in scope so Utilities.StringToUint8(..) fails. Hence, StringToUint8(..) got added to class XpraProtocol
+- Utilities is not in scope so Utilities.Uint8ToString(..) fails. Hence, Uint8ToString(..) from lib/rencode.js imported at line 627 is used
+- ord(..) is not defined. Hence, ord(..) got added to class XpraProtocol
+---
+ html5/js/Protocol.js | 16 ++++++++++++----
+ 1 file changed, 12 insertions(+), 4 deletions(-)
+
+diff --git a/html5/js/Protocol.js b/html5/js/Protocol.js
+index 3a90d571..ed1ed0ad 100644
+--- a/html5/js/Protocol.js
++++ b/html5/js/Protocol.js
+@@ -234,6 +234,14 @@ class XpraProtocol {
+ console.log.apply(console, arguments);
+ }
+
++ StringToUint8(string_) {
++ return Uint8Array.from([...string_].map((x) => x.charCodeAt(0)));
++ }
++
++ ord(c) {
++ return c.charCodeAt(0);
++ }
++
+ do_process_receive_queue() {
+ if (this.header.length < 8 && this.rQ.length > 0) {
+ //add from receive queue data to header until we get the 8 bytes we need:
+@@ -352,7 +360,7 @@ class XpraProtocol {
+
+ // decrypt if needed
+ if (proto_crypto) {
+- this.cipher_in.update(forge.util.createBuffer(uintToString(packet_data)));
++ this.cipher_in.update(forge.util.createBuffer(Uint8ToString(packet_data)));
+ const decrypted = this.cipher_in.output.getBytes();
+ if (!decrypted || decrypted.length < packet_size - padding) {
+ this.error("error decrypting packet using", this.cipher_in);
+@@ -368,7 +376,7 @@ class XpraProtocol {
+ this.raw_packets = [];
+ return this.rQ.length > 0;
+ }
+- packet_data = Utilities.StringToUint8(
++ packet_data = this.StringToUint8(
+ decrypted.slice(0, packet_size - padding)
+ );
+ }
+@@ -464,7 +472,7 @@ class XpraProtocol {
+ this.cipher_out_block_size -
+ (payload_size % this.cipher_out_block_size);
+ let input_data =
+- typeof bdata === "string" ? bdata : Utilities.Uint8ToString(bdata);
++ typeof bdata === "string" ? bdata : Uint8ToString(bdata);
+ if (padding_size) {
+ const padding_char = String.fromCharCode(padding_size);
+ input_data += padding_char.repeat(padding_size);
+@@ -490,7 +498,7 @@ class XpraProtocol {
+ } else {
+ //copy string one character at a time..
+ for (let index = 0; index < actual_size; index++) {
+- packet_data[8 + index] = ord(bdata[index]);
++ packet_data[8 + index] = this.ord(bdata[index]);
+ }
+ }
+ // put into buffer before send
diff --git a/Golden_Repo/y/YAXT/README.md b/Golden_Repo/y/YAXT/README.md
new file mode 100644
index 0000000000000000000000000000000000000000..822a675453eb1d5c808dc285cfabc2b291d961da
--- /dev/null
+++ b/Golden_Repo/y/YAXT/README.md
@@ -0,0 +1,7 @@
+# YAXT
+
+YAXT installation requires MPI. At JSC, it is neccessary to have an active `salloc` session and to specify a buildpath. For example on JUWELS:
+```
+salloc --time=1:00:00 --nodes=1 --ntasks=16 --partition=devel -A cswmanage
+eb YAXT-0.9.3.1-gpsmpi-2022a.eb --buildpath=/p/scratch/cswmanage/$USER/builddir/$SYSTEMNAME/
+```
\ No newline at end of file
diff --git a/Golden_Repo/y/YAXT/YAXT-0.9.3.1-gompi-2022a.eb b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-gompi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9dc55488ff492b6e9d873aa7d91174a753a5c907
--- /dev/null
+++ b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-gompi-2022a.eb
@@ -0,0 +1,30 @@
+# Updated to new URL and version 0.9.3.1
+
+easyblock = 'ConfigureMake'
+
+name = 'YAXT'
+version = '0.9.3.1'
+
+homepage = 'https://swprojects.dkrz.de/redmine/projects/yaxt'
+description = "Yet Another eXchange Tool"
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+source_urls = [
+ 'https://swprojects.dkrz.de/redmine/attachments/download/523/',
+ 'https://www.dkrz.de/redmine/attachments/download/523/',
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5cc2ffeedf1604f825f22867753b637d41507941b7a0fbbfa6ea40637a77605a']
+
+configopts = 'FC="$F90" FCFLAGS="$F90FLAGS -cpp"'
+
+preconfigopts = 'MPI_LAUNCH="$(which srun)"'
+
+sanity_check_paths = {
+ 'files': ['include/yaxt.h', 'include/yaxt.mod', 'lib/libyaxt.a', 'lib/libyaxt.%s' % SHLIB_EXT],
+ 'dirs': ['include/xt'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/y/YAXT/YAXT-0.9.3.1-gpsmpi-2022a.eb b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-gpsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d26e22b76a77fb6c5953ea6e3227c7344a0b6a3f
--- /dev/null
+++ b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-gpsmpi-2022a.eb
@@ -0,0 +1,30 @@
+# Updated to new URL and version 0.9.3.1
+
+easyblock = 'ConfigureMake'
+
+name = 'YAXT'
+version = '0.9.3.1'
+
+homepage = 'https://swprojects.dkrz.de/redmine/projects/yaxt'
+description = "Yet Another eXchange Tool"
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+source_urls = [
+ 'https://swprojects.dkrz.de/redmine/attachments/download/523/',
+ 'https://www.dkrz.de/redmine/attachments/download/523/',
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5cc2ffeedf1604f825f22867753b637d41507941b7a0fbbfa6ea40637a77605a']
+
+configopts = 'FC="$F90" FCFLAGS="$F90FLAGS -cpp"'
+
+preconfigopts = 'MPI_LAUNCH="$(which srun)"'
+
+sanity_check_paths = {
+ 'files': ['include/yaxt.h', 'include/yaxt.mod', 'lib/libyaxt.a', 'lib/libyaxt.%s' % SHLIB_EXT],
+ 'dirs': ['include/xt'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/y/YAXT/YAXT-0.9.3.1-ipsmpi-2022a.eb b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-ipsmpi-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e9c844d99f7c661dcfcffdac4c0f6536ea3ac44d
--- /dev/null
+++ b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-ipsmpi-2022a.eb
@@ -0,0 +1,30 @@
+# Updated to new URL and version 0.9.3.1
+
+easyblock = 'ConfigureMake'
+
+name = 'YAXT'
+version = '0.9.3.1'
+
+homepage = 'https://swprojects.dkrz.de/redmine/projects/yaxt'
+description = "Yet Another eXchange Tool"
+
+toolchain = {'name': 'ipsmpi', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+source_urls = [
+ 'https://swprojects.dkrz.de/redmine/attachments/download/523/',
+ 'https://www.dkrz.de/redmine/attachments/download/523/',
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5cc2ffeedf1604f825f22867753b637d41507941b7a0fbbfa6ea40637a77605a']
+
+configopts = 'FC="$F90" FCFLAGS="$F90FLAGS -cpp"'
+
+preconfigopts = 'MPI_LAUNCH="$(which srun)"'
+
+sanity_check_paths = {
+ 'files': ['include/yaxt.h', 'include/yaxt.mod', 'lib/libyaxt.a', 'lib/libyaxt.%s' % SHLIB_EXT],
+ 'dirs': ['include/xt'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/y/YAXT/YAXT-0.9.3.1-npsmpic-2022a.eb b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-npsmpic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2991e4d0da5cbb6d3d57dec027c0f016af3c86ec
--- /dev/null
+++ b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-npsmpic-2022a.eb
@@ -0,0 +1,36 @@
+# Updated to new URL and version 0.9.3.1
+
+easyblock = 'ConfigureMake'
+
+name = 'YAXT'
+version = '0.9.3.1'
+
+homepage = 'https://swprojects.dkrz.de/redmine/projects/yaxt'
+description = "Yet Another eXchange Tool"
+
+toolchain = {'name': 'npsmpic', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+source_urls = [
+ 'https://swprojects.dkrz.de/redmine/attachments/download/523/',
+ 'https://www.dkrz.de/redmine/attachments/download/523/',
+]
+sources = [SOURCELOWER_TAR_GZ]
+patches = [
+ ('YAXT-%(version)s_remove_pgi-specific.patch', 1),
+]
+checksums = [
+ {'yaxt-0.9.3.1.tar.gz': '5cc2ffeedf1604f825f22867753b637d41507941b7a0fbbfa6ea40637a77605a'},
+ {'YAXT-0.9.3.1_remove_pgi-specific.patch': '1cbff4767e075636feef7b34f6c0e1498fce53399c38c14abf2fe8f09c244e9b'},
+]
+
+configopts = 'FC="$F90" FCFLAGS="$F90FLAGS -cpp"'
+
+preconfigopts = 'MPI_LAUNCH="$(which srun)"'
+
+sanity_check_paths = {
+ 'files': ['include/yaxt.h', 'include/yaxt.mod', 'lib/libyaxt.a', 'lib/libyaxt.%s' % SHLIB_EXT],
+ 'dirs': ['include/xt'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/y/YAXT/YAXT-0.9.3.1-nvompic-2022a.eb b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-nvompic-2022a.eb
new file mode 100644
index 0000000000000000000000000000000000000000..29d4f831fe5c5a403a89738c5ed2ddcf5885c53d
--- /dev/null
+++ b/Golden_Repo/y/YAXT/YAXT-0.9.3.1-nvompic-2022a.eb
@@ -0,0 +1,36 @@
+# Updated to new URL and version 0.9.3.1
+
+easyblock = 'ConfigureMake'
+
+name = 'YAXT'
+version = '0.9.3.1'
+
+homepage = 'https://swprojects.dkrz.de/redmine/projects/yaxt'
+description = "Yet Another eXchange Tool"
+
+toolchain = {'name': 'nvompic', 'version': '2022a'}
+toolchainopts = {'usempi': True}
+
+source_urls = [
+ 'https://swprojects.dkrz.de/redmine/attachments/download/523/',
+ 'https://www.dkrz.de/redmine/attachments/download/523/',
+]
+sources = [SOURCELOWER_TAR_GZ]
+patches = [
+ ('YAXT-%(version)s_remove_pgi-specific.patch', 1),
+]
+checksums = [
+ {'yaxt-0.9.3.1.tar.gz': '5cc2ffeedf1604f825f22867753b637d41507941b7a0fbbfa6ea40637a77605a'},
+ {'YAXT-0.9.3.1_remove_pgi-specific.patch': '1cbff4767e075636feef7b34f6c0e1498fce53399c38c14abf2fe8f09c244e9b'},
+]
+
+configopts = 'FC="$F90" FCFLAGS="$F90FLAGS -cpp"'
+
+preconfigopts = 'MPI_LAUNCH="$(which srun)"'
+
+sanity_check_paths = {
+ 'files': ['include/yaxt.h', 'include/yaxt.mod', 'lib/libyaxt.a', 'lib/libyaxt.%s' % SHLIB_EXT],
+ 'dirs': ['include/xt'],
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/y/YAXT/YAXT-0.9.3.1_remove_pgi-specific.patch b/Golden_Repo/y/YAXT/YAXT-0.9.3.1_remove_pgi-specific.patch
new file mode 100644
index 0000000000000000000000000000000000000000..3a56927032f2468415761dfab84c660963656cbc
--- /dev/null
+++ b/Golden_Repo/y/YAXT/YAXT-0.9.3.1_remove_pgi-specific.patch
@@ -0,0 +1,42 @@
+Comment out dedicated PGI-code, as NVHPC does not support several intrinsics in the initialization phase.
+Author: s.griessbach@fz-juelich.de
+--- yaxt-0.9.3.1/tests/ftest_common.f90.orig 2023-02-14 17:04:33.099320000 +0100
++++ yaxt-0.9.3.1/tests/ftest_common.f90 2023-02-14 17:03:57.795024000 +0100
+@@ -1,3 +1,4 @@
++
+ !>
+ !! @file ftest_common.f90
+ !!
+@@ -1214,21 +1215,21 @@
+ ! double precision real and gfortran warns about that. For that
+ ! reason the below expression limits scale_val to those 1-bits
+ ! which can be represented in a double precision constant
+-#if ! defined __PGI || __PGIC__ > 21
+- INTEGER(i8), PARAMETER :: scale_val &
+- = IAND(HUGE(a), NOT(ISHFT(1_i8, BIT_SIZE(1_i8) &
+- & - DIGITS(0.0_c_double)) - 1 ) )
+-#else
++ !#if defined __PGI || __PGIC__ > 21
++ ! INTEGER(i8), PARAMETER :: scale_val &
++ ! = IAND(HUGE(a), NOT(ISHFT(1_i8, BIT_SIZE(1_i8) &
++ ! & - DIGITS(0.0_c_double)) - 1 ) )
++ !#else
+ INTEGER(i8) :: scale_val
+-#endif
++ !#endif
+ REAL(c_double) :: rand_nums(block_len), sc
+ n = SIZE(a)
+ nb = n/block_len
+-#if defined __PGI && __PGIC__ <= 21
+- scale_val &
+- = IAND(HUGE(a), NOT(ISHFT(1_i8, BIT_SIZE(1_i8) &
+- & - DIGITS(0.0_c_double)) - 1 ) )
+-#endif
++ !#if defined __PGI && __PGIC__ <= 21
++ ! scale_val &
++ ! = IAND(HUGE(a), NOT(ISHFT(1_i8, BIT_SIZE(1_i8) &
++ ! & - DIGITS(0.0_c_double)) - 1 ) )
++ !#endif
+
+ sc = REAL(scale_val, c_double)
+ DO j = 1, nb
diff --git a/Golden_Repo/y/yuicompressor/yuicompressor-2.4.8-GCCcore-11.3.0.eb b/Golden_Repo/y/yuicompressor/yuicompressor-2.4.8-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f4fc2a28aece72fd5d97e3b829fcd5a6180d5d88
--- /dev/null
+++ b/Golden_Repo/y/yuicompressor/yuicompressor-2.4.8-GCCcore-11.3.0.eb
@@ -0,0 +1,34 @@
+easyblock = 'PythonPackage'
+
+name = 'yuicompressor'
+version = '2.4.8'
+
+homepage = 'https://github.com/sprat/yuicompressor'
+description = """YUI Compressor is a JavaScript and CSS minifier written in Java."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://github.com/sprat/yuicompressor/archive/']
+sources = ['%(version)s.tar.gz']
+checksums = ['0054abb77cc151147597aeaa5b47b6843925d3293e2e44d5b36e68ee54a1154f']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('Python', '3.10.4'),
+ ('Java', '11', '', SYSTEM),
+]
+
+use_pip = True
+sanity_pip_check = True
+download_dep_fail = True
+
+sanity_check_paths = {
+ 'files': ['bin/%(name)s'],
+ 'dirs': ['lib/python%(pyshortver)s/site-packages/%(name)s'],
+}
+
+moduleclass = 'vis'
diff --git a/Overlays/deep_overlay/g/GPicView/GPicView-0.2.5-GCCcore-11.3.0.eb b/Overlays/deep_overlay/g/GPicView/GPicView-0.2.5-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e64184da3ec0490b11b5b1c7abe497703bcec7d1
--- /dev/null
+++ b/Overlays/deep_overlay/g/GPicView/GPicView-0.2.5-GCCcore-11.3.0.eb
@@ -0,0 +1,36 @@
+easyblock = 'ConfigureMake'
+
+name = 'GPicView'
+version = '0.2.5'
+
+homepage = 'http://lxde.sourceforge.net/gpicview'
+description = """GPicView - A Simple and Fast Image Viewer for X"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = [
+ 'https://sourceforge.net/projects/lxde/files/GPicView%20%28image%20Viewer%29/0.2.x/']
+sources = [SOURCELOWER_TAR_XZ]
+checksums = ['38466058e53702450e5899193c4b264339959b563dd5cd81f6f690de32d82942']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('pkgconf', '1.8.0'),
+ ('Perl', '5.34.1'),
+ ('intltool', '0.51.0'),
+]
+
+dependencies = [
+ ('X11', '20220504'),
+ ('GTK+', '3.24.34'),
+ ('libjpeg-turbo', '2.1.3'),
+]
+
+configopts = '--enable-gtk3 '
+
+sanity_check_paths = {
+ 'files': ['bin/gpicview'],
+ 'dirs': [],
+}
+
+moduleclass = 'vis'
diff --git a/Overlays/deep_overlay/g/gpsmpi/gpsmpi-2022a-mt.eb b/Overlays/deep_overlay/g/gpsmpi/gpsmpi-2022a-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..a527127047dd2c6bc8d3a9086b21bcfed81fcc9f
--- /dev/null
+++ b/Overlays/deep_overlay/g/gpsmpi/gpsmpi-2022a-mt.eb
@@ -0,0 +1,20 @@
+easyblock = 'Toolchain'
+
+name = 'gpsmpi'
+version = '2022a'
+versionsuffix = '-mt'
+
+homepage = '(none)'
+description = 'GCC and GFortran based compiler toolchain, including Parastation MPICH2 for MPI support.'
+
+
+toolchain = SYSTEM
+
+local_compiler = ('GCC', '11.3.0')
+
+dependencies = [
+ local_compiler,
+ ('psmpi', '5.7.0-1', versionsuffix, local_compiler),
+]
+
+moduleclass = 'toolchain'
diff --git a/Overlays/deep_overlay/o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb b/Overlays/deep_overlay/o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5f099296322b2e56b87c2530b0a72ab3fc36280c
--- /dev/null
+++ b/Overlays/deep_overlay/o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb
@@ -0,0 +1,62 @@
+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.4'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [
+ 'https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['92912e175fd1234368c8730c03f4996fe5942e7479bb1d10059405e7f2b3930d']
+
+osdependencies = [
+ # needed for --with-verbs
+ ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('zlib', '1.2.12'),
+ ('hwloc', '2.7.1'),
+ ('UCX', 'default'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('libevent', '2.1.12'),
+ ('UCC', 'default'),
+ ('PMIx', '3.2.3'),
+]
+
+configopts = '--enable-shared '
+configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
+configopts += '--with-ucx=$EBROOTUCX '
+configopts += '--with-verbs '
+configopts += '--with-libevent=$EBROOTLIBEVENT '
+configopts += '--without-orte '
+configopts += '--without-psm2 '
+configopts += '--disable-oshmem '
+configopts += '--with-cuda=$EBROOTCUDA '
+# No IME or GPFS in DEEP
+# configopts += '--with-ime=/opt/ddn/ime '
+# configopts += '--with-gpfs '
+
+# to enable SLURM integration (site-specific)
+configopts += '--with-slurm --with-pmix=external --with-libevent=external --with-ompi-pmix-rte'
+
+local_libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+ 'files': ["bin/%s" % local_binfile for local_binfile in ["ompi_info", "opal_wrapper"]] +
+ ["lib/lib%s.%s" % (local_libfile, SHLIB_EXT) for local_libfile in local_libs] +
+ ["include/%s.h" % x for x in ["mpi-ext", "mpif-config",
+ "mpif", "mpi", "mpi_portable_platform"]],
+ 'dirs': [],
+}
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb b/Overlays/deep_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5bb7a448efc9018c201e7ffe08768e3833795e29
--- /dev/null
+++ b/Overlays/deep_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
@@ -0,0 +1,62 @@
+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.4'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+toolchainopts = {'pic': True}
+
+source_urls = [
+ 'https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['92912e175fd1234368c8730c03f4996fe5942e7479bb1d10059405e7f2b3930d']
+
+osdependencies = [
+ # needed for --with-verbs
+ ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+]
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('zlib', '1.2.12'),
+ ('hwloc', '2.7.1'),
+ ('UCX', 'default'),
+ ('CUDA', '11.7', '', SYSTEM),
+ ('libevent', '2.1.12'),
+ ('UCC', 'default'),
+ ('PMIx', '3.2.3'),
+]
+
+configopts = '--enable-shared '
+configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
+configopts += '--with-ucx=$EBROOTUCX '
+configopts += '--with-verbs '
+configopts += '--with-libevent=$EBROOTLIBEVENT '
+configopts += '--without-orte '
+configopts += '--without-psm2 '
+configopts += '--disable-oshmem '
+configopts += '--with-cuda=$EBROOTCUDA '
+# No IME or GPFS in DEEP
+# configopts += '--with-ime=/opt/ddn/ime '
+# configopts += '--with-gpfs '
+
+# to enable SLURM integration (site-specific)
+configopts += '--with-slurm --with-pmix=external --with-libevent=external --with-ompi-pmix-rte'
+
+local_libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+ 'files': ["bin/%s" % local_binfile for local_binfile in ["ompi_info", "opal_wrapper"]] +
+ ["lib/lib%s.%s" % (local_libfile, SHLIB_EXT) for local_libfile in local_libs] +
+ ["include/%s.h" % x for x in ["mpi-ext", "mpif-config",
+ "mpif", "mpi", "mpi_portable_platform"]],
+ 'dirs': [],
+}
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/PAPI/PAPI-7.0.0-GCCcore-11.3.0.eb b/Overlays/deep_overlay/p/PAPI/PAPI-7.0.0-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..283ab732da45ecfb9404ae657fcb4d9f68ea518d
--- /dev/null
+++ b/Overlays/deep_overlay/p/PAPI/PAPI-7.0.0-GCCcore-11.3.0.eb
@@ -0,0 +1,49 @@
+##
+# Author: Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+
+easyblock = 'ConfigureMake'
+
+name = 'PAPI'
+version = '7.0.0'
+
+homepage = 'https://icl.cs.utk.edu/projects/papi/'
+
+description = """
+ PAPI provides the tool designer and application engineer with a consistent
+ interface and methodology for use of the performance counter hardware found
+ in most major microprocessors. PAPI enables software engineers to see, in near
+ real time, the relation between software performance and processor events.
+ In addition Component PAPI provides access to a collection of components
+ that expose performance measurement opportunites across the hardware and
+ software stack.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://icl.cs.utk.edu/projects/papi/downloads/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['799dcc317a47da96beaeed445812ecb6ae49df7c0504a4569797c1f7d74c4fd2']
+
+builddependencies = [
+ ('binutils', '2.38'),
+]
+
+start_dir = 'src'
+
+configopts = "--with-components='rapl sde' " # for energy measurements
+
+parallel = 1
+# Deep neither passes nor fails any test
+# runtest = 'fulltest'
+
+sanity_check_paths = {
+ 'files': ["bin/papi_%s" % x
+ for x in ["avail", "clockres", "command_line", "component_avail",
+ "cost", "decode", "error_codes", "event_chooser",
+ "mem_info", "multiplex_cost", "native_avail",
+ "version", "xml_event_info"]],
+ 'dirs': [],
+}
+
+moduleclass = 'perf'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..94894cfd869e9813cb17e75732d4bdfab0f7d85e
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,46 @@
+name = 'psmpi'
+version = '5.7.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.0-1.tar.gz
+ '0c1c8556afedfb08cd612f379ddb6327ef1bb0867d6f6fed3d610f3d8c790883',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-22.11.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
similarity index 96%
rename from Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-22.11.eb
rename to Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
index 125606353501b4c3bb343cae4665845d849d3dfc..8f16abaa8fb8ef6d4ea0f0966c1b9b90bb3b44b1 100644
--- a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-22.11.eb
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
@@ -7,7 +7,7 @@ based on MPICH v3. It provides extra low level communication libraries and integ
various batch systems for tighter process control.
"""
-toolchain = {'name': 'NVHPC', 'version': '22.11'}
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
sources = [SOURCE_TAR_GZ]
source_urls = ['https://github.com/ParaStation/psmpi/archive/']
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..b06425298eec656f626de2d1f803aa44adb59902
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb
@@ -0,0 +1,45 @@
+name = 'psmpi'
+version = '5.7.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.0-1.tar.gz
+ '0c1c8556afedfb08cd612f379ddb6327ef1bb0867d6f6fed3d610f3d8c790883',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..cf308960ed923a6717e7e7ddbfae4bf0980de7b1
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,45 @@
+name = 'psmpi'
+version = '5.7.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.0-1.tar.gz
+ '0c1c8556afedfb08cd612f379ddb6327ef1bb0867d6f6fed3d610f3d8c790883',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..ee88e31c810cc1832a21e571f2393869cf16637e
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,46 @@
+name = 'psmpi'
+version = '5.7.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5d26f62e0d0666f635eb02df230419f598014763
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb
@@ -0,0 +1,45 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2b8f13ff0059a4e07b241b903df85476703a21b2
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb
@@ -0,0 +1,45 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8ee4350c73a6f25dcf1dba3766d723402b35f9dd
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,45 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8cfa9819f407f0d75182d8125937dd31f7d22c0a
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,34 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..22cb3dd4d5b32fffd89c52d995769937dd5525e7
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb
@@ -0,0 +1,33 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0fc1509ed86d101433ba55004b46fac25e06f24c
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb
@@ -0,0 +1,34 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0fa389de7f74df7f34e7db6e3ca07400c44332f8
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb
@@ -0,0 +1,33 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..842e9f5382fd60f13e939d60e6604618171c9c1d
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb
@@ -0,0 +1,34 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..840f68f544f0268568fe7f48cdab0b98be7cad85
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,33 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d6061205647d46decad7ddce5350feb5bccbb54b
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,34 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..ea4f7babdfc2c66a51e626833a5115b729cdb188
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb
@@ -0,0 +1,33 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..86ead34e6fbcad43db1ad1bcf451387e2251f608
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb
@@ -0,0 +1,34 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..3eb8cb38b8b671de6627af51042915fa37fcf3c7
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb
@@ -0,0 +1,33 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1dba7676bd6fa2a20ba50deeb0a30b06de3f8d16
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb
@@ -0,0 +1,34 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9a5fce231f0f2a141f4f9f280ab19887863d3f99
--- /dev/null
+++ b/Overlays/deep_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,33 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/n/nvidia-driver/nvidia-driver-default.eb b/Overlays/hdfml_overlay/n/nvidia-driver/nvidia-driver-default.eb
index 6bce31f65d212b5ff775161523125f6dbf5c1c0e..2900da59e4083c0d7fe1a0d7fd1cae2fd1bd0bf2 100644
--- a/Overlays/hdfml_overlay/n/nvidia-driver/nvidia-driver-default.eb
+++ b/Overlays/hdfml_overlay/n/nvidia-driver/nvidia-driver-default.eb
@@ -1,6 +1,6 @@
name = 'nvidia-driver'
version = 'default'
-realversion = '515.86.01'
+realversion = '525.105.17'
homepage = 'https://developer.nvidia.com/cuda-toolkit'
description = f"""
@@ -15,7 +15,7 @@ toolchain = SYSTEM
source_urls = ['http://us.download.nvidia.com/tesla/%s/' % realversion]
sources = ['NVIDIA-Linux-x86_64-%s.run' % realversion]
-checksums = ['141777e1ca2f11e97d8d33260213f1be327eb73922ae22f4ddab404bb2ef4664']
+checksums = ['c635a21a282c9b53485f19ebb64a0f4b536a968b94d4d97629e0bc547a58142a']
# To avoid conflicts between NVML and the kernel driver
postinstallcmds = ['rm %(installdir)s/lib64/libnvidia-ml.so*']
diff --git a/Overlays/hdfml_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.11.eb b/Overlays/hdfml_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
similarity index 97%
rename from Overlays/hdfml_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.11.eb
rename to Overlays/hdfml_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
index 348634fadade0b5685c82e83dfa1f8748a0e0d3b..894b648ec0ea3c94c8f2ff461c97be37bedae4d8 100644
--- a/Overlays/hdfml_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.11.eb
+++ b/Overlays/hdfml_overlay/o/OpenMPI/OpenMPI-4.1.4-NVHPC-23.1.eb
@@ -4,7 +4,7 @@ version = '4.1.4'
homepage = 'https://www.open-mpi.org/'
description = """The Open MPI Project is an open source MPI-3 implementation."""
-toolchain = {'name': 'NVHPC', 'version': '22.11'}
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
toolchainopts = {'pic': True}
source_urls = [
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
index 8f16abaa8fb8ef6d4ea0f0966c1b9b90bb3b44b1..e74b7633708d4591d8195905305d9b5b811de53b 100644
--- a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-GCC-11.3.0.eb
@@ -2,7 +2,7 @@ name = 'psmpi'
version = '5.7.0-1'
homepage = 'https://github.com/ParaStation/psmpi2'
-description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
based on MPICH v3. It provides extra low level communication libraries and integration with
various batch systems for tighter process control.
"""
@@ -15,6 +15,8 @@ checksums = [
# psmpi-5.7.0-1.tar.gz
'0c1c8556afedfb08cd612f379ddb6327ef1bb0867d6f6fed3d610f3d8c790883',
'978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
]
dependencies = [
@@ -28,7 +30,8 @@ dependencies = [
patches = [
'psmpi_shebang.patch',
# We don't have IME in HDFML so we skip this
- # 'psmpi-5.5.0-1_ime.patch'
+ # 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
]
# We don't have IME in HDFML so we skip this
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9d30e1df616b07152b1518d05c2f4068b6db154c
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-NVHPC-23.1.eb
@@ -0,0 +1,48 @@
+name = 'psmpi'
+version = '5.7.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.0-1.tar.gz
+ '0c1c8556afedfb08cd612f379ddb6327ef1bb0867d6f6fed3d610f3d8c790883',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
index cf308960ed923a6717e7e7ddbfae4bf0980de7b1..e998460844606905802d39c1808e157704b0f4dc 100644
--- a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.0-1-intel-compilers-2022.1.0.eb
@@ -2,7 +2,7 @@ name = 'psmpi'
version = '5.7.0-1'
homepage = 'https://github.com/ParaStation/psmpi2'
-description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
based on MPICH v3. It provides extra low level communication libraries and integration with
various batch systems for tighter process control.
"""
@@ -15,6 +15,8 @@ checksums = [
# psmpi-5.7.0-1.tar.gz
'0c1c8556afedfb08cd612f379ddb6327ef1bb0867d6f6fed3d610f3d8c790883',
'978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
]
dependencies = [
@@ -28,7 +30,8 @@ dependencies = [
patches = [
'psmpi_shebang.patch',
# We don't have IME in HDFML so we skip this
- # 'psmpi-5.5.0-1_ime.patch'
+ # 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
]
# We don't have IME in HDFML so we skip this
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..63bce372abcbbde979f69c7a5356f206780d307b
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-GCC-11.3.0.eb
@@ -0,0 +1,48 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..cfd22989cb50fbf4ef55a1146813eb8ea29f5ed0
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-NVHPC-23.1.eb
@@ -0,0 +1,48 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d21dcf25e4856af5801ff60ea95a1a79d384fa58
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.7.1-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,48 @@
+name = 'psmpi'
+version = '5.7.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.1 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+ # psmpi-5.7.1-1.tar.gz
+ 'fe6fee71ff7586295347c4d06e1be872adcbe136119152c5a0983bad643e967b',
+ '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156', # psmpi_shebang.patch
+ # psmpi-5.7.0-1_singleton-fix.patch
+ '5ab46de53f6025367f444e77cd3374fe36a0728cde38c72db55603ebc08b50a2',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ # We don't have IME in HDFML so we skip this
+ # 'psmpi-5.5.0-1_ime.patch',
+ 'psmpi-5.7.0-1_singleton-fix.patch'
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..31fda169323f420a62b2292f4d472dda43986e27
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,39 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..964ea62932cecdf7befbaa222c1947fa319cf362
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-GCC-11.3.0.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..1c25fc6b62a1178f5f4563e72fd3d422d598cb58
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1-mt.eb
@@ -0,0 +1,39 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..62eb40e8270c36a1e7a11677a09bcf14261a9fa8
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-NVHPC-23.1.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..06e6cac1b4223e5d8944f6581aa87941fa9aca10
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0-mt.eb
@@ -0,0 +1,39 @@
+name = 'psmpi'
+version = '5.8.0-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..55412bb5e6e696685a8c60f474225396121cf083
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.0-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.8.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.0-1.tar.gz
+ 'bcebb42f68e062d4cf957c1ec12a8e2e50051265d38715854bafc34855ed3029',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..f3bb6e99757bd6168f96602306a9f034e30b9314
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0-mt.eb
@@ -0,0 +1,39 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0653692a96665a15d7eac386b0d024da04177853
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-GCC-11.3.0.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..11aeb75054e07d6113e2c525f304e70573d51737
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1-mt.eb
@@ -0,0 +1,39 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e82080e74606c0824f32a35387676d50023e2e50
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-NVHPC-23.1.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '23.1'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb
new file mode 100644
index 0000000000000000000000000000000000000000..9a3c8beaef5a698e917ec6922af4af5f9be830fc
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0-mt.eb
@@ -0,0 +1,39 @@
+name = 'psmpi'
+version = '5.8.1-1'
+versionsuffix = '-mt'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = True
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..8b1e3ff65e94065f26d5a6d9a3c3660b20a8ac00
--- /dev/null
+++ b/Overlays/hdfml_overlay/p/psmpi/psmpi-5.8.1-1-intel-compilers-2022.1.0.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.8.1-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 4.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.1.0'}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://gitlab.jsc.fz-juelich.de/ParTec/psmpi/uploads/762714c8eec01fe59239a52798a70e1c/']
+checksums = [
+ # psmpi-5.8.1-1.tar.gz
+ '54dee42a2eb6ac26d43f5e0371ddc1e75225512365749b3d03856543b6a7366d',
+]
+
+dependencies = [
+ ('pscom', '5.6-default'),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.13'),
+ # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+ ('CUDA', '11.7', '', SYSTEM)
+]
+
+# We don't have IME in HDFML so we skip this
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+#
+# preconfigopts = 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+# preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+mpich_opts = '--enable-static --with-file-system=ufs+gpfs --enable-romio'
+
+threaded = False
+
+cuda = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/jureca_spr_overlay/c/CUDA/CUDA-12.0.eb b/Overlays/jureca_spr_overlay/c/CUDA/CUDA-12.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..25b9e239029ce37de14133c7a9747a625d2fa503
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/c/CUDA/CUDA-12.0.eb
@@ -0,0 +1,26 @@
+name = 'CUDA'
+version = '12.0'
+local_nv_version = '525.60.13'
+
+homepage = 'https://developer.nvidia.com/cuda-toolkit'
+description = """CUDA (formerly Compute Unified Device Architecture) is a parallel
+ computing platform and programming model created by NVIDIA and implemented by the
+ graphics processing units (GPUs) that they produce. CUDA gives developers access
+ to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs."""
+
+toolchain = SYSTEM
+
+source_urls = ['https://developer.download.nvidia.com/compute/cuda/%(version)s.0/local_installers/']
+sources = ['cuda_%%(version)s.0_%s_linux%%(cudaarch)s.run' % local_nv_version]
+checksums = [{
+ 'cuda_%%(version)s.0_%s_linux.run' % local_nv_version:
+ '905e9b9516900839fb76064719db752439f38b8cb730b49335d8bd53ddfad392',
+ 'cuda_%%(version)s.0_%s_linux_ppc64le.run' % local_nv_version:
+ '117fe045c71668e45d41c6119b6f27875370c78e33fc56795b6fe014c796ec60',
+ 'cuda_%%(version)s.0_%s_linux_sbsa.run' % local_nv_version:
+ 'cd13e9c65d4c8f895a968706f46064d536be09f9706bce081cc864b7e4fa4544'
+}]
+
+dependencies = [('nvidia-driver', 'default', '', SYSTEM)]
+
+moduleclass = 'system'
diff --git a/Overlays/jureca_spr_overlay/i/intel-compilers/intel-compilers-2023.1.0.eb b/Overlays/jureca_spr_overlay/i/intel-compilers/intel-compilers-2023.1.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6c6a39ee30aca282f79546f01aa8e51e6cc4bbbb
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/i/intel-compilers/intel-compilers-2023.1.0.eb
@@ -0,0 +1,37 @@
+name = 'intel-compilers'
+version = '2023.1.0'
+
+homepage = 'https://software.intel.com/content/www/us/en/develop/tools/oneapi/hpc-toolkit.html'
+description = "Intel C, C++ & Fortran compilers (classic and oneAPI)"
+
+toolchain = SYSTEM
+
+# see https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html
+sources = [
+ {
+ 'source_urls': [
+ 'https://registrationcenter-download.intel.com/akdlm/IRC_NAS/89283df8-c667-47b0-b7e1-c4573e37bd3e/',
+ ],
+ 'filename': 'l_dpcpp-cpp-compiler_p_%(version)s.46347_offline.sh',
+ },
+ {
+ 'source_urls': [
+ 'https://registrationcenter-download.intel.com/akdlm/IRC_NAS/150e0430-63df-48a0-8469-ecebff0a1858/',
+ ],
+ 'filename': 'l_fortran-compiler_p_%(version)s.46348_offline.sh',
+ },
+]
+checksums = [
+ {'l_dpcpp-cpp-compiler_p_2023.1.0.46347_offline.sh':
+ '3ac1c1179501a2646cbb052b05426554194573b4f8e2344d7699eed03fbcfa1d'},
+ {'l_fortran-compiler_p_2023.1.0.46348_offline.sh':
+ '7639af4b6c928e9e3ba92297a054f78a55f4f4d0db9db0d144cc6653004e4f24'},
+]
+
+local_gccver = '11.3.0'
+dependencies = [
+ ('GCCcore', local_gccver),
+ ('binutils', '2.38', '', ('GCCcore', local_gccver)),
+]
+
+moduleclass = 'compiler'
diff --git a/Overlays/jureca_spr_overlay/n/NCCL/NCCL-default-GCCcore-11.3.0-CUDA-12.0.eb b/Overlays/jureca_spr_overlay/n/NCCL/NCCL-default-GCCcore-11.3.0-CUDA-12.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..788c447550869a12320301c5977c34034c3c5461
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/n/NCCL/NCCL-default-GCCcore-11.3.0-CUDA-12.0.eb
@@ -0,0 +1,35 @@
+name = 'NCCL'
+version = 'default'
+local_realversion = '2.15.1-1'
+versionsuffix = '-CUDA-%(cudashortver)s'
+
+homepage = 'https://developer.nvidia.com/nccl'
+description = f"""
+The NVIDIA Collective Communications Library (NCCL) implements multi-GPU and multi-node collective
+communication primitives that are performance optimized for NVIDIA GPUs.
+
+The real version of this package is {local_realversion}
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+github_account = 'NVIDIA'
+sources = [{
+ 'filename': f'%(name)s-{local_realversion}.tar.gz',
+ 'git_config': {
+ 'url': 'https://github.com/NVIDIA/',
+ 'repo_name': 'nccl',
+ 'tag': f'v{local_realversion}',
+ 'recursive': True,
+ },
+}]
+checksums = ['3623d28598ec7283358d571ffcde1b5660c2b6050f0bd6731fe03fe8bad2a337']
+
+builddependencies = [('binutils', '2.38')]
+
+dependencies = [
+ ('CUDA', '12.0', '', SYSTEM),
+ ('UCX', 'default'),
+]
+
+moduleclass = 'lib'
diff --git a/Overlays/jureca_spr_overlay/n/NVSHMEM/NVSHMEM-2.8.0-gompi-2022a-CUDA-12.0.eb b/Overlays/jureca_spr_overlay/n/NVSHMEM/NVSHMEM-2.8.0-gompi-2022a-CUDA-12.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0d7ea683290a3e2b4b33714a5fb72b6f3079df0c
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/n/NVSHMEM/NVSHMEM-2.8.0-gompi-2022a-CUDA-12.0.eb
@@ -0,0 +1,71 @@
+easyblock = 'ConfigureMake'
+
+name = 'NVSHMEM'
+version = '2.8.0'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+local_cuda_version = '12.0'
+
+homepage = 'https://developer.nvidia.com/nvshmem'
+description = """NVSHMEM is a parallel programming interface based on OpenSHMEM that provides
+efficient and scalable communication for NVIDIA GPU clusters. NVSHMEM creates a
+global address space for data that spans the memory of multiple GPUs and can be
+accessed with fine-grained GPU-initiated operations, CPU-initiated operations,
+and operations on CUDA streams.
+"""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+
+download_instructions = """The sources of NVSHMEM can be downloaded at NVIDIA's webpage when you have signed up for
+their (free) developer program:
+https://developer.nvidia.com/nvshmem-downloads"""
+
+sources = ['%(namelower)s_src_%(version)s-3.txz']
+checksums = ['7d4ef226630a94b587d18e02c27decc8b41d6f4ee52a26e25644b23cd18da81f']
+
+builddependencies = [
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0'),
+]
+
+dependencies = [
+ ('CUDA', local_cuda_version, '', SYSTEM),
+ ('NCCL', 'default', f'-CUDA-{local_cuda_version}'),
+]
+
+skipsteps = ['configure']
+
+prebuildopts = 'export %s &&' % ' '.join([
+ 'NVSHMEM_USE_GDRCOPY=1',
+ 'GDRCOPY_HOME=${EBROOTGDRCOPY}',
+
+ 'MPI_HOME=${EBROOTOPENMPI}',
+ 'NVSHMEM_MPI_SUPPORT=1',
+ 'NVSHMEMTEST_USE_MPI_LAUNCHER=1',
+
+ 'NCCL_HOME=${EBROOTNCCL}',
+ 'NVSHMEM_USE_NCCL=1',
+
+ 'NVSHMEM_BUILDDIR=%(builddir)s',
+ 'NVSHMEM_EXAMPLES_BUILDDIR=${NVSHMEM_BUILDDIR}/examples/obj',
+ 'NVSHMEM_OTHERTEST_BUILDDIR=${NVSHMEM_BUILDDIR}/othertest/obj',
+ 'NVSHMEM_TEST_BUILDDIR=${NVSHMEM_BUILDDIR}/test/obj',
+ 'NVSHMEM_PERFTEST_BUILDDIR=${NVSHMEM_BUILDDIR}/perftest/obj',
+
+ 'NVSHMEM_PREFIX=%(installdir)s',
+ 'NVSHMEM_EXAMPLES_INSTALL=${NVSHMEM_PREFIX}/examples',
+ 'NVSHMEM_OTHERTEST_INSTALL=${NVSHMEM_PREFIX}/othertest',
+ 'NVSHMEM_PERFTEST_INSTALL=${NVSHMEM_PREFIX}/perftest',
+ 'NVSHMEM_TEST_INSTALL=${NVSHMEM_PREFIX}/test',
+])
+
+preinstallopts = prebuildopts
+
+sanity_check_paths = {
+ 'files': ['lib/libnvshmem.a', 'lib/nvshmem_bootstrap_mpi.%s' % SHLIB_EXT],
+ 'dirs': ['include']
+}
+
+modextravars = {'NVSHMEM_HOME': '%(installdir)s'}
+
+moduleclass = 'devel'
diff --git a/Overlays/jureca_spr_overlay/n/nvidia-driver/nvidia-driver-default.eb b/Overlays/jureca_spr_overlay/n/nvidia-driver/nvidia-driver-default.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2900da59e4083c0d7fe1a0d7fd1cae2fd1bd0bf2
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/n/nvidia-driver/nvidia-driver-default.eb
@@ -0,0 +1,27 @@
+name = 'nvidia-driver'
+version = 'default'
+realversion = '525.105.17'
+
+homepage = 'https://developer.nvidia.com/cuda-toolkit'
+description = f"""
+This is a set of libraries normally installed by the NVIDIA driver installer.
+
+The real version of this package is {realversion}.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = ['http://us.download.nvidia.com/tesla/%s/' % realversion]
+sources = ['NVIDIA-Linux-x86_64-%s.run' % realversion]
+checksums = ['c635a21a282c9b53485f19ebb64a0f4b536a968b94d4d97629e0bc547a58142a']
+
+# To avoid conflicts between NVML and the kernel driver
+postinstallcmds = ['rm %(installdir)s/lib64/libnvidia-ml.so*']
+
+modluafooter = '''
+add_property("arch","gpu")
+'''
+
+moduleclass = 'system'
diff --git a/Overlays/jureca_spr_overlay/o/OpenMPI/OpenMPI-4.1.1_opal-datatype-cuda-performance.patch b/Overlays/jureca_spr_overlay/o/OpenMPI/OpenMPI-4.1.1_opal-datatype-cuda-performance.patch
new file mode 100644
index 0000000000000000000000000000000000000000..8c1a1f8ec353b5e35b8ee3912b4ecb0373de0c94
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/o/OpenMPI/OpenMPI-4.1.1_opal-datatype-cuda-performance.patch
@@ -0,0 +1,456 @@
+If Open MPI is built with support for CUDA there's a small
+(up to 10%) performance penalty for small messages due to overhead
+in the datatype memory copy functionality.
+
+This eliminates most of this overhead as follows:
+1. Seperate compilation of CUDA code paths in pack/unpack routines
+ instead of runtime checks in inner loops, similar to the existing
+ checksum functionality.
+2. Expose opal_cuda_enabled variable so it can be checked directly
+ in opal_datatype_copy_content_same_ddt() instead of calling a
+ function.
+3. Eliminate cbmemcpy function pointer as it always points to
+ opal_cuda_memcpy(), and a direct call is cheaper.
+
+Signed off by Bart Oldeman <bart.oldeman@calculquebec.ca>
+
+diff --git a/opal/datatype/Makefile.am b/opal/datatype/Makefile.am
+index daaaa8e4b0..ef2da1cd81 100644
+--- a/opal/datatype/Makefile.am
++++ b/opal/datatype/Makefile.am
+@@ -44,6 +44,11 @@ noinst_LTLIBRARIES = \
+ # these sources will be compiled with the special -D
+ libdatatype_reliable_la_SOURCES = opal_datatype_pack.c opal_datatype_unpack.c
+ libdatatype_reliable_la_CFLAGS = -DCHECKSUM $(AM_CFLAGS)
++if OPAL_cuda_support
++libdatatype_gpu_la_SOURCES = opal_datatype_pack.c opal_datatype_unpack.c
++libdatatype_gpu_la_CFLAGS = -DOPAL_DATATYPE_PACK_UNPACK_GPU $(AM_CFLAGS)
++noinst_LTLIBRARIES += libdatatype_gpu.la
++endif
+
+ # these sources will be compiled with the normal CFLAGS only
+ libdatatype_la_SOURCES = \
+@@ -69,6 +74,9 @@ libdatatype_la_SOURCES = \
+ opal_datatype_unpack.c
+
+ libdatatype_la_LIBADD = libdatatype_reliable.la
++if OPAL_cuda_support
++libdatatype_la_LIBADD += libdatatype_gpu.la
++endif
+
+ # Conditionally install the header files
+ if WANT_INSTALL_HEADERS
+diff --git a/opal/datatype/opal_convertor.c b/opal/datatype/opal_convertor.c
+index 3931d99d17..33aebe2612 100644
+--- a/opal/datatype/opal_convertor.c
++++ b/opal/datatype/opal_convertor.c
+@@ -40,8 +40,6 @@
+ #include "opal/datatype/opal_convertor_internal.h"
+ #if OPAL_CUDA_SUPPORT
+ #include "opal/datatype/opal_datatype_cuda.h"
+-#define MEMCPY_CUDA( DST, SRC, BLENGTH, CONVERTOR ) \
+- CONVERTOR->cbmemcpy( (DST), (SRC), (BLENGTH), (CONVERTOR) )
+ #endif
+
+ static void opal_convertor_construct( opal_convertor_t* convertor )
+@@ -51,9 +49,6 @@ static void opal_convertor_construct( opal_convertor_t* convertor )
+ convertor->partial_length = 0;
+ convertor->remoteArch = opal_local_arch;
+ convertor->flags = OPAL_DATATYPE_FLAG_NO_GAPS | CONVERTOR_COMPLETED;
+-#if OPAL_CUDA_SUPPORT
+- convertor->cbmemcpy = &opal_cuda_memcpy;
+-#endif
+ }
+
+
+@@ -241,11 +236,7 @@ int32_t opal_convertor_pack( opal_convertor_t* pConv,
+ if( OPAL_LIKELY(NULL == iov[i].iov_base) )
+ iov[i].iov_base = (IOVBASE_TYPE *) base_pointer;
+ else
+-#if OPAL_CUDA_SUPPORT
+- MEMCPY_CUDA( iov[i].iov_base, base_pointer, iov[i].iov_len, pConv );
+-#else
+ MEMCPY( iov[i].iov_base, base_pointer, iov[i].iov_len );
+-#endif
+ pending_length -= iov[i].iov_len;
+ base_pointer += iov[i].iov_len;
+ }
+@@ -258,11 +249,7 @@ complete_contiguous_data_pack:
+ if( OPAL_LIKELY(NULL == iov[i].iov_base) )
+ iov[i].iov_base = (IOVBASE_TYPE *) base_pointer;
+ else
+-#if OPAL_CUDA_SUPPORT
+- MEMCPY_CUDA( iov[i].iov_base, base_pointer, iov[i].iov_len, pConv );
+-#else
+ MEMCPY( iov[i].iov_base, base_pointer, iov[i].iov_len );
+-#endif
+ pConv->bConverted = pConv->local_size;
+ *out_size = i + 1;
+ pConv->flags |= CONVERTOR_COMPLETED;
+@@ -296,11 +283,7 @@ int32_t opal_convertor_unpack( opal_convertor_t* pConv,
+ if( iov[i].iov_len >= pending_length ) {
+ goto complete_contiguous_data_unpack;
+ }
+-#if OPAL_CUDA_SUPPORT
+- MEMCPY_CUDA( base_pointer, iov[i].iov_base, iov[i].iov_len, pConv );
+-#else
+ MEMCPY( base_pointer, iov[i].iov_base, iov[i].iov_len );
+-#endif
+ pending_length -= iov[i].iov_len;
+ base_pointer += iov[i].iov_len;
+ }
+@@ -310,11 +293,7 @@ int32_t opal_convertor_unpack( opal_convertor_t* pConv,
+
+ complete_contiguous_data_unpack:
+ iov[i].iov_len = pending_length;
+-#if OPAL_CUDA_SUPPORT
+- MEMCPY_CUDA( base_pointer, iov[i].iov_base, iov[i].iov_len, pConv );
+-#else
+ MEMCPY( base_pointer, iov[i].iov_base, iov[i].iov_len );
+-#endif
+ pConv->bConverted = pConv->local_size;
+ *out_size = i + 1;
+ pConv->flags |= CONVERTOR_COMPLETED;
+@@ -530,7 +509,7 @@ size_t opal_convertor_compute_remote_size( opal_convertor_t* pConvertor )
+ \
+ convertor->remote_size = convertor->local_size; \
+ if( OPAL_LIKELY(convertor->remoteArch == opal_local_arch) ) { \
+- if( !(convertor->flags & CONVERTOR_WITH_CHECKSUM) && \
++ if( !(convertor->flags & (CONVERTOR_WITH_CHECKSUM | CONVERTOR_CUDA)) && \
+ ((convertor->flags & OPAL_DATATYPE_FLAG_NO_GAPS) || \
+ ((convertor->flags & OPAL_DATATYPE_FLAG_CONTIGUOUS) && (1 == count))) ) { \
+ return OPAL_SUCCESS; \
+@@ -541,8 +520,8 @@ size_t opal_convertor_compute_remote_size( opal_convertor_t* pConvertor )
+ opal_convertor_compute_remote_size( convertor ); \
+ assert( NULL != convertor->use_desc->desc ); \
+ /* For predefined datatypes (contiguous) do nothing more */ \
+- /* if checksum is enabled then always continue */ \
+- if( ((convertor->flags & (CONVERTOR_WITH_CHECKSUM | OPAL_DATATYPE_FLAG_NO_GAPS)) \
++ /* if checksum or cuda is enabled then always continue */ \
++ if( ((convertor->flags & (CONVERTOR_WITH_CHECKSUM | CONVERTOR_CUDA | OPAL_DATATYPE_FLAG_NO_GAPS)) \
+ == OPAL_DATATYPE_FLAG_NO_GAPS) && \
+ ((convertor->flags & (CONVERTOR_SEND | CONVERTOR_HOMOGENEOUS)) == \
+ (CONVERTOR_SEND | CONVERTOR_HOMOGENEOUS)) ) { \
+@@ -592,7 +571,19 @@ int32_t opal_convertor_prepare_for_recv( opal_convertor_t* convertor,
+ }
+ }
+ } else
+-#endif /* defined(CHECKSUM) */
++#elif OPAL_CUDA_SUPPORT
++ if (OPAL_UNLIKELY(convertor->flags & CONVERTOR_CUDA)) {
++ if (OPAL_UNLIKELY(!(convertor->flags & CONVERTOR_HOMOGENEOUS))) {
++ convertor->fAdvance = opal_unpack_general_gpu;
++ } else {
++ if (convertor->pDesc->flags & OPAL_DATATYPE_FLAG_CONTIGUOUS) {
++ convertor->fAdvance = opal_unpack_homogeneous_contig_gpu;
++ } else {
++ convertor->fAdvance = opal_generic_simple_unpack_gpu;
++ }
++ }
++ } else
++#endif /* defined(CHECKSUM) || OPAL_CUDA_SUPPORT */
+ if( OPAL_UNLIKELY(!(convertor->flags & CONVERTOR_HOMOGENEOUS)) ) {
+ convertor->fAdvance = opal_unpack_general;
+ } else {
+@@ -636,7 +627,25 @@ int32_t opal_convertor_prepare_for_send( opal_convertor_t* convertor,
+ }
+ }
+ } else
+-#endif /* defined(CHECKSUM) */
++#elif OPAL_CUDA_SUPPORT
++ if (OPAL_UNLIKELY(convertor->flags & CONVERTOR_CUDA)) {
++ if (CONVERTOR_SEND_CONVERSION
++ == (convertor->flags & (CONVERTOR_SEND_CONVERSION | CONVERTOR_HOMOGENEOUS))) {
++ convertor->fAdvance = opal_pack_general_gpu;
++ } else {
++ if (datatype->flags & OPAL_DATATYPE_FLAG_CONTIGUOUS) {
++ if (((datatype->ub - datatype->lb) == (ptrdiff_t) datatype->size)
++ || (1 >= convertor->count)) {
++ convertor->fAdvance = opal_pack_homogeneous_contig_gpu;
++ } else {
++ convertor->fAdvance = opal_pack_homogeneous_contig_with_gaps_gpu;
++ }
++ } else {
++ convertor->fAdvance = opal_generic_simple_pack_gpu;
++ }
++ }
++ } else
++#endif /* defined(CHECKSUM) || OPAL_CUDA_SUPPORT */
+ if( CONVERTOR_SEND_CONVERSION == (convertor->flags & (CONVERTOR_SEND_CONVERSION|CONVERTOR_HOMOGENEOUS)) ) {
+ convertor->fAdvance = opal_pack_general;
+ } else {
+@@ -694,9 +703,6 @@ int opal_convertor_clone( const opal_convertor_t* source,
+ destination->bConverted = source->bConverted;
+ destination->stack_pos = source->stack_pos;
+ }
+-#if OPAL_CUDA_SUPPORT
+- destination->cbmemcpy = source->cbmemcpy;
+-#endif
+ return OPAL_SUCCESS;
+ }
+
+diff --git a/opal/datatype/opal_convertor.h b/opal/datatype/opal_convertor.h
+index b24d94c37b..53b6f0d526 100644
+--- a/opal/datatype/opal_convertor.h
++++ b/opal/datatype/opal_convertor.h
+@@ -118,7 +118,6 @@ struct opal_convertor_t {
+ dt_stack_t static_stack[DT_STATIC_STACK_SIZE]; /**< local stack for small datatypes */
+
+ #if OPAL_CUDA_SUPPORT
+- memcpy_fct_t cbmemcpy; /**< memcpy or cuMemcpy */
+ void * stream; /**< CUstream for async copy */
+ #endif
+ };
+diff --git a/opal/datatype/opal_datatype_copy.c b/opal/datatype/opal_datatype_copy.c
+index c70bdd24df..d7c10af3dc 100644
+--- a/opal/datatype/opal_datatype_copy.c
++++ b/opal/datatype/opal_datatype_copy.c
+@@ -86,14 +86,6 @@ static size_t opal_datatype_memop_block_size = 128 * 1024;
+ #define MEM_OP opal_cuda_memmove
+ #include "opal_datatype_copy.h"
+
+-#define SET_CUDA_COPY_FCT(cuda_device_bufs, fct, copy_function) \
+- do { \
+- if (true == cuda_device_bufs) { \
+- fct = copy_function; \
+- } \
+- } while(0)
+-#else
+-#define SET_CUDA_COPY_FCT(cuda_device_bufs, fct, copy_function)
+ #endif
+
+ int32_t opal_datatype_copy_content_same_ddt( const opal_datatype_t* datatype, int32_t count,
+@@ -102,10 +94,6 @@ int32_t opal_datatype_copy_content_same_ddt( const opal_datatype_t* datatype, in
+ ptrdiff_t extent;
+ int32_t (*fct)( const opal_datatype_t*, int32_t, char*, char*);
+
+-#if OPAL_CUDA_SUPPORT
+- bool cuda_device_bufs = opal_cuda_check_bufs(destination_base, source_base);
+-#endif
+-
+ DO_DEBUG( opal_output( 0, "opal_datatype_copy_content_same_ddt( %p, %d, dst %p, src %p )\n",
+ (void*)datatype, count, (void*)destination_base, (void*)source_base ); );
+
+@@ -122,20 +110,25 @@ int32_t opal_datatype_copy_content_same_ddt( const opal_datatype_t* datatype, in
+ extent = (datatype->true_ub - datatype->true_lb) + (count - 1) * (datatype->ub - datatype->lb);
+
+ fct = non_overlap_copy_content_same_ddt;
+- SET_CUDA_COPY_FCT(cuda_device_bufs, fct, non_overlap_cuda_copy_content_same_ddt);
+ if( destination_base < source_base ) {
+ if( (destination_base + extent) > source_base ) {
+ /* memmove */
+ fct = overlap_copy_content_same_ddt;
+- SET_CUDA_COPY_FCT(cuda_device_bufs, fct, overlap_cuda_copy_content_same_ddt);
+ }
+ } else {
+ if( (source_base + extent) > destination_base ) {
+ /* memmove */
+ fct = overlap_copy_content_same_ddt;
+- SET_CUDA_COPY_FCT(cuda_device_bufs, fct, overlap_cuda_copy_content_same_ddt);
+ }
+ }
++
++#if OPAL_CUDA_SUPPORT
++ if (OPAL_UNLIKELY(opal_cuda_enabled) && opal_cuda_check_bufs(destination_base, source_base)) {
++ fct = (fct == non_overlap_copy_content_same_ddt ?
++ non_overlap_cuda_copy_content_same_ddt : overlap_cuda_copy_content_same_ddt);
++ }
++#endif
++
+ return fct( datatype, count, destination_base, source_base );
+ }
+
+diff --git a/opal/datatype/opal_datatype_cuda.c b/opal/datatype/opal_datatype_cuda.c
+index 7869f17e90..f3b3cef8da 100644
+--- a/opal/datatype/opal_datatype_cuda.c
++++ b/opal/datatype/opal_datatype_cuda.c
+@@ -20,7 +20,7 @@
+
+ static bool initialized = false;
+ int opal_cuda_verbose = 0;
+-static int opal_cuda_enabled = 0; /* Starts out disabled */
++int opal_cuda_enabled = 1; /* Starts out enabled */
+ static int opal_cuda_output = 0;
+ static void opal_cuda_support_init(void);
+ static int (*common_cuda_initialization_function)(opal_common_cuda_function_table_t *) = NULL;
+@@ -48,10 +48,6 @@ void mca_cuda_convertor_init(opal_convertor_t* convertor, const void *pUserBuf)
+ opal_cuda_support_init();
+ }
+
+- /* This is needed to handle case where convertor is not fully initialized
+- * like when trying to do a sendi with convertor on the statck */
+- convertor->cbmemcpy = (memcpy_fct_t)&opal_cuda_memcpy;
+-
+ /* If not enabled, then nothing else to do */
+ if (!opal_cuda_enabled) {
+ return;
+@@ -192,6 +188,7 @@ static void opal_cuda_support_init(void)
+
+ /* Callback into the common cuda initialization routine. This is only
+ * set if some work had been done already in the common cuda code.*/
++ opal_cuda_enabled = 0;
+ if (NULL != common_cuda_initialization_function) {
+ if (0 == common_cuda_initialization_function(&ftable)) {
+ opal_cuda_enabled = 1;
+diff --git a/opal/datatype/opal_datatype_cuda.h b/opal/datatype/opal_datatype_cuda.h
+index 2789320520..d512e24550 100644
+--- a/opal/datatype/opal_datatype_cuda.h
++++ b/opal/datatype/opal_datatype_cuda.h
+@@ -30,4 +30,6 @@ void* opal_cuda_memmove(void * dest, void * src, size_t size);
+ void opal_cuda_add_initialization_function(int (*fptr)(opal_common_cuda_function_table_t *));
+ void opal_cuda_set_copy_function_async(opal_convertor_t* convertor, void *stream);
+
++extern int opal_cuda_enabled;
++
+ #endif
+diff --git a/opal/datatype/opal_datatype_pack.c b/opal/datatype/opal_datatype_pack.c
+index b4e03a9bea..f42e292e0b 100644
+--- a/opal/datatype/opal_datatype_pack.c
++++ b/opal/datatype/opal_datatype_pack.c
+@@ -45,6 +45,11 @@
+ #define opal_pack_homogeneous_contig_with_gaps_function opal_pack_homogeneous_contig_with_gaps_checksum
+ #define opal_generic_simple_pack_function opal_generic_simple_pack_checksum
+ #define opal_pack_general_function opal_pack_general_checksum
++#elif defined(OPAL_DATATYPE_PACK_UNPACK_GPU)
++#define opal_pack_homogeneous_contig_function opal_pack_homogeneous_contig_gpu
++#define opal_pack_homogeneous_contig_with_gaps_function opal_pack_homogeneous_contig_with_gaps_gpu
++#define opal_generic_simple_pack_function opal_generic_simple_pack_gpu
++#define opal_pack_general_function opal_pack_general_gpu
+ #else
+ #define opal_pack_homogeneous_contig_function opal_pack_homogeneous_contig
+ #define opal_pack_homogeneous_contig_with_gaps_function opal_pack_homogeneous_contig_with_gaps
+diff --git a/opal/datatype/opal_datatype_pack.h b/opal/datatype/opal_datatype_pack.h
+index 2a2e79180d..7fbf0c88e2 100644
+--- a/opal/datatype/opal_datatype_pack.h
++++ b/opal/datatype/opal_datatype_pack.h
+@@ -19,11 +19,12 @@
+
+ #include "opal_config.h"
+
+-#if !defined(CHECKSUM) && OPAL_CUDA_SUPPORT
++#if defined(OPAL_DATATYPE_PACK_UNPACK_GPU)
+ /* Make use of existing macro to do CUDA style memcpy */
++#include "opal_datatype_cuda.h"
+ #undef MEMCPY_CSUM
+ #define MEMCPY_CSUM( DST, SRC, BLENGTH, CONVERTOR ) \
+- CONVERTOR->cbmemcpy( (DST), (SRC), (BLENGTH), (CONVERTOR) )
++ opal_cuda_memcpy( (DST), (SRC), (BLENGTH), (CONVERTOR) )
+ #endif
+
+ /**
+diff --git a/opal/datatype/opal_datatype_prototypes.h b/opal/datatype/opal_datatype_prototypes.h
+index 668397112b..111f74f2a4 100644
+--- a/opal/datatype/opal_datatype_prototypes.h
++++ b/opal/datatype/opal_datatype_prototypes.h
+@@ -39,6 +39,16 @@ OPAL_DECLSPEC int32_t
+ opal_unpack_general_checksum( opal_convertor_t* pConvertor,
+ struct iovec* iov, uint32_t* out_size,
+ size_t* max_data );
++#if OPAL_CUDA_SUPPORT
++OPAL_DECLSPEC int32_t
++opal_pack_general_gpu( opal_convertor_t* pConvertor,
++ struct iovec* iov, uint32_t* out_size,
++ size_t* max_data );
++OPAL_DECLSPEC int32_t
++opal_unpack_general_gpu( opal_convertor_t* pConvertor,
++ struct iovec* iov, uint32_t* out_size,
++ size_t* max_data );
++#endif
+
+ /*
+ * Now the internal functions
+@@ -83,6 +93,28 @@ int32_t
+ opal_generic_simple_unpack_checksum( opal_convertor_t* pConvertor,
+ struct iovec* iov, uint32_t* out_size,
+ size_t* max_data );
++#if OPAL_CUDA_SUPPORT
++int32_t
++opal_pack_homogeneous_contig_gpu( opal_convertor_t* pConv,
++ struct iovec* iov, uint32_t* out_size,
++ size_t* max_data );
++int32_t
++opal_pack_homogeneous_contig_with_gaps_gpu( opal_convertor_t* pConv,
++ struct iovec* iov, uint32_t* out_size,
++ size_t* max_data );
++int32_t
++opal_generic_simple_pack_gpu( opal_convertor_t* pConvertor,
++ struct iovec* iov, uint32_t* out_size,
++ size_t* max_data );
++int32_t
++opal_unpack_homogeneous_contig_gpu( opal_convertor_t* pConv,
++ struct iovec* iov, uint32_t* out_size,
++ size_t* max_data );
++int32_t
++opal_generic_simple_unpack_gpu( opal_convertor_t* pConvertor,
++ struct iovec* iov, uint32_t* out_size,
++ size_t* max_data );
++#endif
+
+ END_C_DECLS
+
+diff --git a/opal/datatype/opal_datatype_unpack.c b/opal/datatype/opal_datatype_unpack.c
+index 26a5810dc0..668b6624aa 100644
+--- a/opal/datatype/opal_datatype_unpack.c
++++ b/opal/datatype/opal_datatype_unpack.c
+@@ -46,6 +46,10 @@
+ #define opal_unpack_general_function opal_unpack_general_checksum
+ #define opal_unpack_homogeneous_contig_function opal_unpack_homogeneous_contig_checksum
+ #define opal_generic_simple_unpack_function opal_generic_simple_unpack_checksum
++#elif defined(OPAL_DATATYPE_PACK_UNPACK_GPU)
++#define opal_unpack_general_function opal_unpack_general_gpu
++#define opal_unpack_homogeneous_contig_function opal_unpack_homogeneous_contig_gpu
++#define opal_generic_simple_unpack_function opal_generic_simple_unpack_gpu
+ #else
+ #define opal_unpack_general_function opal_unpack_general
+ #define opal_unpack_homogeneous_contig_function opal_unpack_homogeneous_contig
+@@ -204,10 +208,10 @@ opal_unpack_partial_predefined(opal_convertor_t *pConvertor, const dt_elem_desc_
+ MEMCPY( temporary + start_position, partial_data, length );
+
+ /* Save the original content of the user memory */
+-#if OPAL_CUDA_SUPPORT
++#if defined(OPAL_DATATYPE_PACK_UNPACK_GPU)
+ /* In the case where the data is being unpacked from device memory, need to
+ * use the special host to device memory copy. */
+- pConvertor->cbmemcpy(saved_data, user_data, data_length, pConvertor );
++ opal_cuda_memcpy(saved_data, user_data, data_length, pConvertor );
+ #else
+ MEMCPY( saved_data, user_data, data_length );
+ #endif
+@@ -222,15 +226,15 @@ opal_unpack_partial_predefined(opal_convertor_t *pConvertor, const dt_elem_desc_
+
+ /* Rebuild the data by pulling back the unmodified bytes from the original
+ * content in the user memory. */
+-#if OPAL_CUDA_SUPPORT
++#if defined(OPAL_DATATYPE_PACK_UNPACK_GPU)
+ /* Need to copy the modified user_data again so we can see which
+ * bytes need to be converted back to their original values. */
+ {
+ char resaved_data[16];
+- pConvertor->cbmemcpy(resaved_data, user_data, data_length, pConvertor );
++ opal_cuda_memcpy(resaved_data, user_data, data_length, pConvertor );
+ for(size_t i = 0; i < data_length; i++ ) {
+ if( unused_byte == resaved_data[i] )
+- pConvertor->cbmemcpy(&user_data[i], &saved_data[i], 1, pConvertor);
++ opal_cuda_memcpy(&user_data[i], &saved_data[i], 1, pConvertor);
+ }
+ }
+ #else
+diff --git a/opal/datatype/opal_datatype_unpack.h b/opal/datatype/opal_datatype_unpack.h
+index 33db837882..4159a475fc 100644
+--- a/opal/datatype/opal_datatype_unpack.h
++++ b/opal/datatype/opal_datatype_unpack.h
+@@ -19,11 +19,12 @@
+
+ #include "opal_config.h"
+
+-#if !defined(CHECKSUM) && OPAL_CUDA_SUPPORT
++#if defined(OPAL_DATATYPE_PACK_UNPACK_GPU)
+ /* Make use of existing macro to do CUDA style memcpy */
++#include "opal_datatype_cuda.h"
+ #undef MEMCPY_CSUM
+ #define MEMCPY_CSUM( DST, SRC, BLENGTH, CONVERTOR ) \
+- CONVERTOR->cbmemcpy( (DST), (SRC), (BLENGTH), (CONVERTOR) )
++ opal_cuda_memcpy( (DST), (SRC), (BLENGTH), (CONVERTOR) )
+ #endif
+
+ /**
diff --git a/Overlays/jureca_spr_overlay/o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb b/Overlays/jureca_spr_overlay/o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..49c9419c1eaa7ed650c95d3e37e88f289642688c
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb
@@ -0,0 +1,82 @@
+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.4'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_BZ2]
+patches = [
+ 'OpenMPI-4.1.1_opal-datatype-cuda-performance.patch',
+]
+checksums = [
+ '92912e175fd1234368c8730c03f4996fe5942e7479bb1d10059405e7f2b3930d', # openmpi-4.1.4.tar.bz2
+ # OpenMPI-4.1.1_opal-datatype-cuda-performance.patch
+ 'b767c7166cf0b32906132d58de5439c735193c9fd09ec3c5c11db8d5fa68750e',
+]
+
+osdependencies = [
+ # needed for --with-verbs
+ ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+]
+
+builddependencies = [
+ ('pkgconf', '1.8.0'),
+ ('Perl', '5.34.1'),
+ ('Autotools', '20220317'),
+]
+
+dependencies = [
+ ('zlib', '1.2.12'),
+ ('hwloc', '2.7.1'),
+ ('UCX', 'default'),
+ ('CUDA', '12.0', '', SYSTEM),
+ ('libevent', '2.1.12'),
+ ('PMIx', '3.2.3'), # We rely on this version since it is the newest supported by psmgmt
+ ('UCC', 'default'),
+]
+
+# Update configure to include changes from the "internal-cuda" patch
+# by running a subset of autogen.pl sufficient to achieve this
+# without doing the full, long-running regeneration.
+preconfigopts = ' && '.join([
+ 'cd config',
+ 'autom4te --language=m4sh opal_get_version.m4sh -o opal_get_version.sh',
+ 'cd ..',
+ 'autoconf',
+ 'autoheader',
+ 'aclocal',
+ 'automake',
+ ''
+])
+
+configopts = '--enable-shared '
+configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
+configopts += '--with-ucx=$EBROOTUCX '
+configopts += '--with-verbs '
+configopts += '--with-libevent=$EBROOTLIBEVENT '
+configopts += '--without-orte '
+configopts += '--without-psm2 '
+configopts += '--disable-oshmem '
+configopts += '--with-cuda=$EBROOTCUDA '
+configopts += '--with-ime=/opt/ddn/ime '
+configopts += '--with-gpfs '
+
+# to enable SLURM integration (site-specific)
+configopts += '--with-slurm --with-pmix=external --with-libevent=external --with-ompi-pmix-rte'
+
+local_libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+ 'files': ["bin/%s" % local_binfile for local_binfile in ["ompi_info", "opal_wrapper"]] +
+ ["lib/lib%s.%s" % (local_libfile, SHLIB_EXT) for local_libfile in local_libs] +
+ ["include/%s.h" % x for x in ["mpi-ext", "mpif-config",
+ "mpif", "mpi", "mpi_portable_platform"]],
+ 'dirs': [],
+}
+
+moduleclass = 'mpi'
diff --git a/Overlays/jureca_spr_overlay/u/UCC/UCC-default-GCCcore-11.3.0.eb b/Overlays/jureca_spr_overlay/u/UCC/UCC-default-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..a508309e86fb8b4d1866250e5cc1b4923b4a0f2f
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/u/UCC/UCC-default-GCCcore-11.3.0.eb
@@ -0,0 +1,58 @@
+# For figuring out the correct GPU arch. Easyconfig templates can't be used,
+# since we have in some systems more than 1 compute capability.
+# The local prefix is to appease the checker
+import os as local_os
+
+easyblock = 'ConfigureMake'
+
+name = 'UCC'
+version = 'default'
+local_realversion = '1.2.0-rc1'
+
+homepage = 'https://www.openucx.org/'
+description = f"""UCC (Unified Collective Communication) is a collective
+communication operations API and library that is flexible, complete, and
+feature-rich for current and emerging programming models and runtimes.
+
+The real version of this package is {local_realversion}
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/openucx/ucc/archive/refs/tags']
+sources = [f'v{local_realversion}.tar.gz']
+checksums = [
+ {'v1.2.0-rc1.tar.gz': 'ae6384eecec5054e2c5e960dfc03c083f5f98afaed17276a306c6fe27db4354b'},
+]
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('Autotools', '20220317'),
+]
+
+dependencies = [
+ ('UCX', 'default'),
+ ('CUDA', '12.0', '', SYSTEM),
+ ('NCCL', 'default', '-CUDA-%(cudashortver)s'),
+]
+
+preconfigopts = "./autogen.sh && "
+
+local_gpu_cc = local_os.environ["EASYBUILD_CUDA_COMPUTE_CAPABILITIES"].split(',')[0].replace('.', '')
+
+configopts = "--enable-optimizations "
+configopts += f"--with-nvcc-gencode=-gencode=arch=compute_{local_gpu_cc},code=sm_{local_gpu_cc} "
+configopts += "--with-ucx=$EBROOTUCX "
+configopts += "--with-cuda=$EBROOTCUDA "
+configopts += "--with-nccl=$EBROOTNCCL "
+# configopts += "--with-sharp=/opt/mellanox/sharp "
+
+sanity_check_paths = {
+ 'files': ['bin/ucc_info'],
+ 'dirs': ['include', 'lib']
+}
+
+sanity_check_commands = ["ucc_info -c"]
+
+moduleclass = 'lib'
diff --git a/Overlays/jureca_spr_overlay/u/UCX/UCX-default-GCCcore-11.3.0.eb b/Overlays/jureca_spr_overlay/u/UCX/UCX-default-GCCcore-11.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..428abc8959f099e384044ec0bb2927c572e7b91b
--- /dev/null
+++ b/Overlays/jureca_spr_overlay/u/UCX/UCX-default-GCCcore-11.3.0.eb
@@ -0,0 +1,79 @@
+easyblock = 'ConfigureMake'
+
+name = 'UCX'
+version = 'default'
+local_realversion = '1.13.1'
+
+homepage = 'https://www.openucx.org/'
+description = f"""Unified Communication X
+An open-source production grade communication framework for data centric
+and high-performance applications
+
+The real version of this package is {local_realversion}
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [f'https://github.com/openucx/ucx/releases/download/v{local_realversion}']
+sources = ['%%(namelower)s-%s.tar.gz' % local_realversion]
+checksums = ['efc37829b68e131d2acc82a3fd4334bfd611156a756837ffeb650ab9a9dd3828']
+
+builddependencies = [
+ ('binutils', '2.38'),
+ ('Autotools', '20220317'),
+ ('pkgconf', '1.8.0'),
+]
+
+osdependencies = [OS_PKG_IBVERBS_DEV]
+
+dependencies = [
+ ('zlib', '1.2.12'),
+ ('numactl', '2.0.15'),
+ ('CUDA', '12.0', '', SYSTEM),
+]
+
+configopts = '--with-verbs ' # Build OpenFabrics support
+configopts += '--without-java '
+configopts += '--disable-doxygen-doc '
+
+# Enable machine-specific optimizations, default: NO
+configopts += '--enable-optimizations '
+# configopts += '--enable-tuning ' # Enable parameter tuning in run-time, default: NO
+# Enable thread support in UCP and UCT, default: NO
+configopts += '--enable-mt '
+configopts += '--disable-debug '
+configopts += '--disable-logging '
+configopts += '--disable-assertions '
+configopts += '--disable-params-check '
+configopts += '--disable-dependency-tracking '
+configopts += '--with-cuda=$EBROOTCUDA '
+
+configopts += '--enable-cma ' # Enable Cross Memory Attach
+
+# Compile with IB Reliable Connection support
+configopts += '--with-rc '
+# Compile with IB Unreliable Datagram support
+configopts += '--with-ud '
+# Compile with IB Dynamic Connection support
+configopts += '--with-dc '
+configopts += '--with-mlx5-dv ' # Compile with mlx5 Direct Verbs support
+configopts += '--with-ib-hw-tm ' # Compile with IB Tag Matching support
+configopts += '--with-dm ' # Compile with Device Memory support
+
+configopts += '--with-avx ' # Compile with AVX
+# configopts += '--with-gdrcopy ' # Compile with GDRCopy
+
+# Compile without IB Connection Manager support
+configopts += '--without-cm '
+
+buildopts = 'V=1'
+
+sanity_check_paths = {
+ 'files': ['bin/ucx_info', 'bin/ucx_perftest', 'bin/ucx_read_profile'],
+ 'dirs': ['include', 'lib', 'share']
+}
+
+sanity_check_commands = ["ucx_info -d"]
+
+moduleclass = 'system'
diff --git a/Overlays/jurecadc_overlay/n/nvidia-driver/nvidia-driver-default.eb b/Overlays/jurecadc_overlay/n/nvidia-driver/nvidia-driver-default.eb
index 22e40535fb019858b9b56e057e9d844079138c3a..2900da59e4083c0d7fe1a0d7fd1cae2fd1bd0bf2 100644
--- a/Overlays/jurecadc_overlay/n/nvidia-driver/nvidia-driver-default.eb
+++ b/Overlays/jurecadc_overlay/n/nvidia-driver/nvidia-driver-default.eb
@@ -1,6 +1,6 @@
name = 'nvidia-driver'
version = 'default'
-realversion = '515.65.07'
+realversion = '525.105.17'
homepage = 'https://developer.nvidia.com/cuda-toolkit'
description = f"""
@@ -15,7 +15,7 @@ toolchain = SYSTEM
source_urls = ['http://us.download.nvidia.com/tesla/%s/' % realversion]
sources = ['NVIDIA-Linux-x86_64-%s.run' % realversion]
-checksums = ['c6876b9dfd7ff91918610c8117995b6be3c524914c3c2e2170b71a6ef929fa24']
+checksums = ['c635a21a282c9b53485f19ebb64a0f4b536a968b94d4d97629e0bc547a58142a']
# To avoid conflicts between NVML and the kernel driver
postinstallcmds = ['rm %(installdir)s/lib64/libnvidia-ml.so*']
diff --git a/Overlays/jusuf_overlay/n/nvidia-driver/nvidia-driver-default.eb b/Overlays/jusuf_overlay/n/nvidia-driver/nvidia-driver-default.eb
new file mode 100644
index 0000000000000000000000000000000000000000..2900da59e4083c0d7fe1a0d7fd1cae2fd1bd0bf2
--- /dev/null
+++ b/Overlays/jusuf_overlay/n/nvidia-driver/nvidia-driver-default.eb
@@ -0,0 +1,27 @@
+name = 'nvidia-driver'
+version = 'default'
+realversion = '525.105.17'
+
+homepage = 'https://developer.nvidia.com/cuda-toolkit'
+description = f"""
+This is a set of libraries normally installed by the NVIDIA driver installer.
+
+The real version of this package is {realversion}.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = ['http://us.download.nvidia.com/tesla/%s/' % realversion]
+sources = ['NVIDIA-Linux-x86_64-%s.run' % realversion]
+checksums = ['c635a21a282c9b53485f19ebb64a0f4b536a968b94d4d97629e0bc547a58142a']
+
+# To avoid conflicts between NVML and the kernel driver
+postinstallcmds = ['rm %(installdir)s/lib64/libnvidia-ml.so*']
+
+modluafooter = '''
+add_property("arch","gpu")
+'''
+
+moduleclass = 'system'
diff --git a/Overlays/juwels_overlay/n/nvidia-driver/nvidia-driver-default.eb b/Overlays/juwels_overlay/n/nvidia-driver/nvidia-driver-default.eb
index 22e40535fb019858b9b56e057e9d844079138c3a..2900da59e4083c0d7fe1a0d7fd1cae2fd1bd0bf2 100644
--- a/Overlays/juwels_overlay/n/nvidia-driver/nvidia-driver-default.eb
+++ b/Overlays/juwels_overlay/n/nvidia-driver/nvidia-driver-default.eb
@@ -1,6 +1,6 @@
name = 'nvidia-driver'
version = 'default'
-realversion = '515.65.07'
+realversion = '525.105.17'
homepage = 'https://developer.nvidia.com/cuda-toolkit'
description = f"""
@@ -15,7 +15,7 @@ toolchain = SYSTEM
source_urls = ['http://us.download.nvidia.com/tesla/%s/' % realversion]
sources = ['NVIDIA-Linux-x86_64-%s.run' % realversion]
-checksums = ['c6876b9dfd7ff91918610c8117995b6be3c524914c3c2e2170b71a6ef929fa24']
+checksums = ['c635a21a282c9b53485f19ebb64a0f4b536a968b94d4d97629e0bc547a58142a']
# To avoid conflicts between NVML and the kernel driver
postinstallcmds = ['rm %(installdir)s/lib64/libnvidia-ml.so*']
diff --git a/Overlays/juwelsbooster_overlay/n/nvidia-driver/nvidia-driver-default.eb b/Overlays/juwelsbooster_overlay/n/nvidia-driver/nvidia-driver-default.eb
index 22e40535fb019858b9b56e057e9d844079138c3a..2900da59e4083c0d7fe1a0d7fd1cae2fd1bd0bf2 100644
--- a/Overlays/juwelsbooster_overlay/n/nvidia-driver/nvidia-driver-default.eb
+++ b/Overlays/juwelsbooster_overlay/n/nvidia-driver/nvidia-driver-default.eb
@@ -1,6 +1,6 @@
name = 'nvidia-driver'
version = 'default'
-realversion = '515.65.07'
+realversion = '525.105.17'
homepage = 'https://developer.nvidia.com/cuda-toolkit'
description = f"""
@@ -15,7 +15,7 @@ toolchain = SYSTEM
source_urls = ['http://us.download.nvidia.com/tesla/%s/' % realversion]
sources = ['NVIDIA-Linux-x86_64-%s.run' % realversion]
-checksums = ['c6876b9dfd7ff91918610c8117995b6be3c524914c3c2e2170b71a6ef929fa24']
+checksums = ['c635a21a282c9b53485f19ebb64a0f4b536a968b94d4d97629e0bc547a58142a']
# To avoid conflicts between NVML and the kernel driver
postinstallcmds = ['rm %(installdir)s/lib64/libnvidia-ml.so*']
diff --git a/acls.yml b/acls.yml
index bbeabbf0d3013f741809620ca09846d4cbb68ffd..36b6b04413af2a74365c8a678a49fcf72938335e 100644
--- a/acls.yml
+++ b/acls.yml
@@ -51,7 +51,7 @@ compilers:
- name: 'GCC'
version: '11.3.0'
- name: 'NVHPC'
- version: '22'
+ version: '23'
- name: 'intel'
version: '2022'
mpis:
@@ -83,8 +83,11 @@ software:
- name: 'ceres-solver'
owner: 'goebbert1'
base: True
- - name: 'Cirq'
+ - name: 'Catalyst'
owner: 'goebbert1'
+ mpi: True
+ - name: 'Cirq'
+ owner: 'gonzalezcalaza1'
base: True
- name: 'Cling'
owner: 'goebbert1'
@@ -103,7 +106,7 @@ software:
base: True
- name: 'Embree'
owner: 'goebbert1'
- base: True
+ compiler: True
- name: 'freeglut'
owner: 'goebbert1'
base: True
@@ -119,6 +122,9 @@ software:
- name: 'eudev'
owner: 'goebbert1'
base: True
+ - name: 'FLANN'
+ owner: 'goebbert1'
+ base: True
- name: 'glog'
owner: 'goebbert1'
base: True
@@ -191,7 +197,7 @@ software:
owner: 'goebbert1'
base: True
- name: 'JupyterKernel-PyQuantum'
- owner: 'goebbert1'
+ owner: ['goebbert1', 'gonzalezcalaza1']
base: True
- name: 'JupyterKernel-PyDeepLearning'
owner: 'goebbert1'
@@ -247,6 +253,9 @@ software:
- name: 'muparserx'
owner: 'goebbert1'
base: True
+ - name: 'myqlm'
+ owner: ['gonzalezcalaza1', 'goebbert1']
+ base: True
- name: 'nlohmann-json'
owner: 'goebbert1'
base: True
@@ -262,6 +271,9 @@ software:
- name: 'nvidia-Video_Codec_SDK'
owner: 'goebbert1'
system: True
+ - name: 'Octave'
+ owner: 'goebbert1'
+ base: True
- name: 'OpenCV'
owner: 'goebbert1'
base: True
@@ -295,6 +307,9 @@ software:
- name: 'ParaViewPlugin-Nek5000'
owner: 'goebbert1'
mpi: True
+ - name: 'pulser'
+ owner: 'gonzalezcalaza1'
+ base: True
- name: 'PyCairo'
owner: 'goebbert1'
base: True
@@ -314,16 +329,19 @@ software:
owner: 'goebbert1'
mpi: True
- name: 'PyQuil'
- owner: 'goebbert1'
+ owner: ['gonzalezcalaza1', 'goebbert1']
base: True
+ - name: 'PySCF'
+ owner: 'goebbert1'
+ compiler: True
- name: 'qcint'
owner: 'gonzalezcalaza1'
base: True
- name: 'Qiskit'
- owner: 'goebbert1'
+ owner: ['gonzalezcalaza1', 'goebbert1']
mpi: True
- name: 'Qiskit-juqcs'
- owner: 'goebbert1'
+ owner: 'gonzalezcalaza1'
mpi: True
- name: 'Qt5'
owner: 'goebbert1'
@@ -419,6 +437,9 @@ software:
- name: 'Arrow'
owner: 'strube1'
mpi: True
+ - name: 'ArviZ'
+ owner: 'strube1'
+ mpi: True
- name: 'ASE'
owner: 'strube1'
base: True
@@ -446,6 +467,9 @@ software:
owner: 'strube1'
base: True
compiler: True
+ - name: 'BLAST+'
+ owner: 'strube1'
+ mpi: True
- name: 'bokeh'
owner: 'strube1'
base: True
@@ -496,6 +520,9 @@ software:
- name: 'DeepSpeed'
owner: 'strube1'
mpi: True
+ - name: 'dill'
+ owner: 'strube1'
+ base: True
- name: 'distributed'
owner: 'strube1'
base: True
@@ -506,6 +533,9 @@ software:
- name: 'Emacs'
owner: 'strube1'
base: True
+ - name: 'ESMF'
+ owner: ['griessbach1', 'strube1']
+ mpi: True
- name: 'exiv2'
owner: 'strube1'
base: True
@@ -724,7 +754,7 @@ software:
base: True
- name: 'maeparser'
owner: 'strube1'
- mpi: True
+ mpi: True
- name: 'magma'
owner: 'strube1'
mpi: True
@@ -737,6 +767,9 @@ software:
- name: 'MethPipe'
owner: 'strube1'
mpi: True
+ - name: 'MongoDB'
+ owner: 'strube1'
+ system: True
- name: 'METIS'
owner: 'schoebel1'
base: True
@@ -794,6 +827,9 @@ software:
- name: 'OpenBabel'
owner: 'strube1'
mpi: True
+ - name: 'openpyxl'
+ owner: 'strube1'
+ base: True
- name: 'OpenSlide'
owner: 'strube1'
base: True
@@ -887,6 +923,9 @@ software:
- name: 'rpmrebuild'
owner: 'strube1'
system: True
+ - name: 'Rust'
+ owner: 'strube1'
+ base: True
- name: 'scikit-allel'
owner: 'strube1'
base: True
@@ -1015,6 +1054,9 @@ software:
- name: 'utf8proc'
owner: ['strube1', 'nassyr1']
base: 'true'
+ - name: 'xarray'
+ owner: 'strube1'
+ base: 'true'
- name: 'X11'
owner: 'achilles4'
base: 'true'
@@ -1149,7 +1191,7 @@ software:
base: True
mpi: True
- name: 'h5py'
- owner: ['griessbach1', 'strube1']
+ owner: ['griessbach1', 'strube1', 'goebbert1']
base: True
mpi: True
- name: 'Eigen'
@@ -1216,7 +1258,7 @@ software:
mpi: True
base: True
- name: 'netCDF-C++4'
- owner: 'griessbach1'
+ owner: ['griessbach1', 'strube1']
mpi: True
base: True
- name: 'netCDF-Fortran'
@@ -1263,6 +1305,9 @@ software:
- name: 'CPMD'
owner: 'mueller1'
mpi: True
+ - name: 'GlobalArrays'
+ owner: 'mueller1'
+ mpi: True
- name: 'Nsight-Compute'
owner: 'herten1'
base: True
@@ -1298,7 +1343,7 @@ software:
owner: 'griessbach1'
mpi: True
- name: 'NCO'
- owner: 'griessbach1'
+ owner: ['griessbach1', 'strube1']
mpi: True
- name: 'Extrae'
owner: 'knobloch1'
@@ -1360,3 +1405,8 @@ software:
- name: 'UDUNITS'
owner: ['griessbach1', 'strube1']
base: True
+ - name: 'libcdi'
+ owner: 'griessbach1'
+ base: True
+ mpi: True
+
diff --git a/bin/table_generator b/bin/table_generator
index 90c01e0dd340699f4aff17b19a36c95fb617876d..d5c1a817155dfb59a137d27ab1591c07e00368e5 100755
--- a/bin/table_generator
+++ b/bin/table_generator
@@ -206,7 +206,7 @@ def table_formatter(table, compare_repo=False):
global html
sw_name_max_len = 30
- owner_max_len = 16
+ owner_max_len = 32
if emojis:
len_padding = 1