Merge branch '2023' of...

Merge branch '2023' of https://gitlab.jsc.fz-juelich.de/software-team/easybuild into tensorflow-2023

Custom_EasyBlocks/score_p.py

+##
+# Copyright 2013-2023 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 software using the Score-P configuration style (e.g., Cube, OTF2, Scalasca, and Score-P),
+implemented as an easyblock.
+
+@author: Kenneth Hoste (Ghent University)
+@author: Bernd Mohr (Juelich Supercomputing Centre)
+@author: Markus Geimer (Juelich Supercomputing Centre)
+@author: Alexander Grund (TU Dresden)
+@author: Christian Feld (Juelich Supercomputing Centre)
+"""
+import easybuild.tools.toolchain as toolchain
+from easybuild.easyblocks.generic.configuremake import ConfigureMake
+from easybuild.tools.build_log import EasyBuildError
+from easybuild.tools.modules import get_software_root, get_software_libdir
+from distutils.version import LooseVersion
+
+
+class EB_Score_minus_P(ConfigureMake):
+    """
+    Support for building and installing software using the Score-P configuration style (e.g., Cube, OTF2, Scalasca,
+    and Score-P).
+    """
+
+    def configure_step(self, *args, **kwargs):
+        """Configure the build, set configure options for compiler, MPI and dependencies."""
+        # On non-cross-compile platforms, specify compiler and MPI suite explicitly.  This is much quicker and safer
+        # than autodetection.  In Score-P build-system terms, the following platforms are considered cross-compile
+        # architectures:
+        #
+        #   - Cray XT/XE/XK/XC series
+        #   - Fujitsu FX10, FX100 & K computer
+        #   - IBM Blue Gene series
+        #
+        # Of those, only Cray is supported right now.
+        tc_fam = self.toolchain.toolchain_family()
+        if tc_fam != toolchain.CRAYPE:
+            # since 2022/12 releases: --with-nocross-compiler-suite=(gcc|ibm|intel|oneapi|nvhpc|pgi|clang|aocc|amdclang)
+            comp_opts = {
+                # assume that system toolchain uses a system-provided GCC
+                toolchain.SYSTEM: 'gcc',
+                toolchain.GCC: 'gcc',
+                toolchain.IBMCOMP: 'ibm',
+                toolchain.INTELCOMP: 'intel',
+                toolchain.NVHPC: 'nvhpc',
+                toolchain.PGI: 'pgi',
+            }
+            nvhpc_since = {
+                'Score-P': '8.0',
+                'Scalasca': '2.6.1',
+                'OTF2': '3.0.2',
+                'CubeW': '4.8',
+                'CubeLib': '4.8',
+                'CubeGUI': '4.8',
+            }
+            if LooseVersion(self.version) < LooseVersion(nvhpc_since.get(self.name, '0')):
+                comp_opts[toolchain.NVHPC] = 'pgi'
+
+            comp_fam = self.toolchain.comp_family()
+            if comp_fam in comp_opts:
+                self.cfg.update('configopts', "--with-nocross-compiler-suite=%s" % comp_opts[comp_fam])
+            else:
+                raise EasyBuildError("Compiler family %s not supported yet (only: %s)",
+                                     comp_fam, ', '.join(comp_opts.keys()))
+
+            # --with-mpi=(bullxmpi|hp|ibmpoe|intel|intel2|intelpoe|lam|mpibull2|mpich|mpich2|mpich3|openmpi|
+            #             platform|scali|sgimpt|sun)
+            #
+            # Notes:
+            #   - intel:    Intel MPI v1.x (ancient & unsupported)
+            #   - intel2:   Intel MPI v2.x and higher
+            #   - intelpoe: IBM POE MPI for Intel platforms
+            #   - mpich:    MPICH v1.x (ancient & unsupported)
+            #   - mpich2:   MPICH2 v1.x
+            #   - mpich3:   MPICH v3.x & MVAPICH2
+            #               This setting actually only affects options passed to the MPI (Fortran) compiler wrappers.
+            #               And since MPICH v3.x-compatible options were already supported in MVAPICH2 v1.7, it is
+            #               safe to use 'mpich3' for all supported versions although MVAPICH2 is based on MPICH v3.x
+            #               only since v1.9b.
+            #
+            # With minimal toolchains, packages using this easyblock may be built with a non-MPI toolchain (e.g., OTF2).
+            # In this case, skip passing the '--with-mpi' option.
+            mpi_opts = {
+                toolchain.INTELMPI: 'intel2',
+                toolchain.OPENMPI: 'openmpi',
+                toolchain.MPICH: 'mpich3',     # In EB terms, MPICH means MPICH 3.x
+                toolchain.MPICH2: 'mpich2',
+                toolchain.MVAPICH2: 'mpich3',
+            }
+            mpi_fam = self.toolchain.mpi_family()
+            if mpi_fam is not None:
+                if mpi_fam in mpi_opts:
+                    self.cfg.update('configopts', "--with-mpi=%s" % mpi_opts[mpi_fam])
+                else:
+                    raise EasyBuildError("MPI family %s not supported yet (only: %s)",
+                                         mpi_fam, ', '.join(mpi_opts.keys()))
+
+        # Auto-detection for dependencies mostly works fine, but hard specify paths anyway to have full control
+        #
+        # Notes:
+        #   - binutils: Pass include/lib directories separately, as different directory layouts may break Score-P's
+        #               configure, see https://github.com/geimer/easybuild-easyblocks/pull/4#issuecomment-219284755
+        deps = {
+            'binutils': ['--with-libbfd-include=%s/include',
+                         '--with-libbfd-lib=%%s/%s' % get_software_libdir('binutils', fs=['libbfd.a'])],
+            'libunwind': ['--with-libunwind=%s'],
+            # Older versions use Cube
+            'Cube': ['--with-cube=%s/bin'],
+            # Recent versions of Cube are split into CubeLib and CubeW(riter)
+            'CubeLib': ['--with-cubelib=%s/bin'],
+            'CubeWriter': ['--with-cubew=%s/bin'],
+            'CUDA': ['--enable-cuda', '--with-libcudart=%s'],
+            'OTF2': ['--with-otf2=%s/bin'],
+            'OPARI2': ['--with-opari2=%s/bin'],
+            'PAPI': ['--with-papi-header=%s/include', '--with-papi-lib=%%s/%s' % get_software_libdir('PAPI')],
+            'PDT': ['--with-pdt=%s/bin'],
+            'Qt': ['--with-qt=%s'],
+            'SIONlib': ['--with-sionlib=%s/bin'],
+        }
+        for (dep_name, dep_opts) in deps.items():
+            dep_root = get_software_root(dep_name)
+            if dep_root:
+                for dep_opt in dep_opts:
+                    try:
+                        dep_opt = dep_opt % dep_root
+                    except TypeError:
+                        pass  # Ignore subtitution error when there is nothing to substitute
+                    self.cfg.update('configopts', dep_opt)
+
+        super(EB_Score_minus_P, self).configure_step(*args, **kwargs)

Golden_Repo/a/ABINIT/ABINIT-9.6.2-foss-2022a.eb

+easyblock = 'ConfigureMake'
+
+name = 'ABINIT'
+version = '9.6.2'
+
+homepage = 'https://www.abinit.org/'
+description = """
+ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of
+systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using
+pseudopotentials and a planewave or wavelet basis.
+"""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'usempi': True, 'openmp': True, 'pic': True}
+
+source_urls = ['https://www.abinit.org/sites/default/files/packages/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['b018c2ff24338a5952c5550a7e09d4c7793b62402c7aa4e09273e9a666e674fb']
+
+builddependencies = [
+    ('Python', '3.10.4'),
+]
+dependencies = [
+    ('libxc', '5.2.3'),
+    ('netCDF', '4.9.0'),
+    ('netCDF-Fortran', '4.6.0'),
+    ('HDF5', '1.12.2'),
+    ('Wannier90', '3.1.0'),
+]
+
+# Needed due to changes in GCC10.
+configopts = 'FCFLAGS="-fallow-argument-mismatch -ffree-line-length-none $FCFLAGS" '
+configopts += 'FFLAGS="-fallow-argument-mismatch $FFLAGS" '
+
+# Ensure MPI
+configopts += '--with-mpi="yes" '
+
+# Enable OpenMP
+configopts += '--enable-openmp="yes" '
+
+# BLAS/Lapack from FlexiBLAS
+configopts += 'LINALG_LIBS="${LIBLAPACK_MT}" '
+
+# FFTW
+configopts += '--with-fft-flavor=fftw3 FFTW3_LIBS="-L${EBROOTFFTW} -lfftw3f -lfftw3" '
+
+# libxc support
+configopts += '--with-libxc=${EBROOTLIBXC} '
+
+# hdf5/netcdf4 support
+configopts += '--with-netcdf="${EBROOTNETCDF}" '
+configopts += '--with-netcdf-fortran="${EBROOTNETCDFMINFORTRAN}" '
+configopts += '--with-hdf5="${EBROOTHDF5}" '
+
+# Wannier90
+configopts += '--with-wannier90="${EBROOTWANNIER90}" '
+preconfigopts = 'export WANNIER90_LIBS="-L$EBROOTWANNIER90/lib -lwannier" && '
+
+# Enable double precision for GW calculations
+configopts += '--enable-gw-dpc '
+
+# 'make check' is just executing some basic unit tests.
+# Also running 'make tests_v1' to have some basic validation
+# runtest = "check && make test_v1"
+runtest = "check"
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'chem'

Golden_Repo/a/ABINIT/ABINIT-9.6.2-gpsmkl-2022a.eb

+easyblock = 'ConfigureMake'
+
+name = 'ABINIT'
+version = '9.6.2'
+
+homepage = 'https://www.abinit.org/'
+description = """
+ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of
+systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using
+pseudopotentials and a planewave or wavelet basis.
+"""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'usempi': True, 'openmp': True, 'pic': True}
+
+source_urls = ['https://www.abinit.org/sites/default/files/packages/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['b018c2ff24338a5952c5550a7e09d4c7793b62402c7aa4e09273e9a666e674fb']
+
+builddependencies = [
+    ('Python', '3.10.4'),
+]
+dependencies = [
+    ('libxc', '5.2.3'),
+    ('netCDF', '4.9.0'),
+    ('netCDF-Fortran', '4.6.0'),
+    ('HDF5', '1.12.2'),
+    ('Wannier90', '3.1.0'),
+]
+
+# Needed due to changes in GCC10.
+configopts = 'FCFLAGS="-fallow-argument-mismatch -ffree-line-length-none $FCFLAGS" '
+configopts += 'FFLAGS="-fallow-argument-mismatch $FFLAGS" '
+
+# Ensure MPI
+configopts += '--with-mpi="yes" '
+
+# Enable OpenMP
+configopts += '--enable-openmp="yes" '
+
+# BLAS/Lapack from MKL
+configopts += '--with-linalg-flavor=mkl '
+
+# FFTW from MKL
+configopts += '--with-fft-flavor=dfti '
+
+# libxc support
+configopts += '--with-libxc=${EBROOTLIBXC} '
+
+# hdf5/netcdf4 support
+configopts += '--with-netcdf="${EBROOTNETCDF}" '
+configopts += '--with-netcdf-fortran="${EBROOTNETCDFMINFORTRAN}" '
+configopts += '--with-hdf5="${EBROOTHDF5}" '
+
+# Wannier90
+configopts += '--with-wannier90="${EBROOTWANNIER90}" '
+preconfigopts = 'export WANNIER90_LIBS="-L$EBROOTWANNIER90/lib -lwannier" && '
+
+# Enable double precision for GW calculations
+configopts += '--enable-gw-dpc '
+
+# 'make check' is just executing some basic unit tests.
+# Also running 'make tests_v1' to have some basic validation
+# runtest = "check && make test_v1"
+runtest = "check"
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'chem'

Golden_Repo/a/ABINIT/ABINIT-9.6.2-intel-para-2022a.eb

+easyblock = 'ConfigureMake'
+
+name = 'ABINIT'
+version = '9.6.2'
+
+homepage = 'https://www.abinit.org/'
+description = """
+ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of
+systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using
+pseudopotentials and a planewave or wavelet basis.
+"""
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'usempi': True, 'openmp': True, 'pic': True}
+
+source_urls = ['https://www.abinit.org/sites/default/files/packages/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['b018c2ff24338a5952c5550a7e09d4c7793b62402c7aa4e09273e9a666e674fb']
+
+builddependencies = [
+    ('Python', '3.10.4'),
+]
+dependencies = [
+    ('libxc', '5.2.3'),
+    ('netCDF', '4.9.0'),
+    ('netCDF-Fortran', '4.6.0'),
+    ('HDF5', '1.12.2'),
+    ('Wannier90', '3.1.0'),
+]
+
+# Ensure MPI with intel wrappers.
+configopts = '--with-mpi="yes" '
+# configopts += ' FC="mpiifort" CC="mpiicc" CXX="mpiicpc" '
+
+# Enable OpenMP
+configopts += '--enable-openmp="yes" '
+
+# BLAS/Lapack from MKL
+configopts += '--with-linalg-flavor=mkl '
+
+# FFTW from MKL
+configopts += '--with-fft-flavor=dfti '
+
+# libxc support
+configopts += '--with-libxc=${EBROOTLIBXC} '
+
+# hdf5/netcdf4 support
+configopts += '--with-netcdf="${EBROOTNETCDF}" '
+configopts += '--with-netcdf-fortran="${EBROOTNETCDFMINFORTRAN}" '
+configopts += '--with-hdf5="${EBROOTHDF5}" '
+
+# Wannier90
+configopts += '--with-wannier90="${EBROOTWANNIER90}" '
+preconfigopts = 'export WANNIER90_LIBS="-L$EBROOTWANNIER90/lib -lwannier" && '
+
+# Enable double precision for GW calculations
+configopts += '--enable-gw-dpc '
+
+# 'make check' is just executing some basic unit tests.
+# Also running 'make tests_v1' to have some basic validation
+# runtest = "check && make test_v1"
+runtest = "check"
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['abinit', 'aim', 'cut3d', 'conducti', 'mrgddb', 'mrgscr', 'optic']],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'chem'

Golden_Repo/a/ACTC/ACTC-1.1-GCCcore-11.3.0.eb

+easyblock = 'MakeCp'
+
+name = 'ACTC'
+version = '1.1'
+
+homepage = 'https://sourceforge.net/projects/actc'
+description = "ACTC converts independent triangles into triangle strips or fans."
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [SOURCEFORGE_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['3a1303291629b9de6008c3c9d7b020a4b854802408fb3f8222ec492808c8b44d']
+
+builddependencies = [('binutils', '2.38')]
+
+buildopts = 'CC="$CC" CFLAGS="$CFLAGS"'
+
+files_to_copy = [
+    (['tcsample', 'tctest', 'tctest2'], 'bin'),
+    (['tc.h'], 'include/ac'),
+    (['libactc.a'], 'lib'),
+    'COPYRIGHT', 'manual.html', 'prims.gif', 'README',
+]
+
+sanity_check_paths = {
+    'files': ['bin/tctest', 'bin/tctest2', 'bin/tcsample', 'include/ac/tc.h', 'lib/libactc.a',
+              'COPYRIGHT', 'manual.html', 'prims.gif', 'README'],
+    'dirs': [],
+}
+
+modextrapaths = {'CPATH': 'include/ac'}
+
+moduleclass = 'lib'

Golden_Repo/a/AMBER/AMBER-20-foss-2022a.eb

+easyblock = 'CMakeMake'
+
+name = 'AMBER'
+version = '20'
+versionsuffix = '-AmberTools-21'
+
+homepage = 'http://ambermd.org'
+description = """
+AMBER: 'Assisted Model Building with Energy Refinement' is a set of molecular
+mechanics force fields and a package of molecular simulation programs.
+
+Citation:
+D.A. Case, K. Belfon, I.Y. Ben-Shalom, S.R. Brozell, D.S. Cerutti,
+T.E. Cheatham, III, V.W.D. Cruzeiro, T.A. Darden, R.E. Duke, G. Giambasu,
+M.K. Gilson, H. Gohlke, A.W. Goetz, R. Harris, S. Izadi, S.A. Izmailov,
+K. Kasavajhala, A. Kovalenko, R. Krasny, T. Kurtzman, T.S. Lee, S. LeGrand,
+P. Li, C. Lin, J. Liu, T. Luchko, R. Luo, V. Man, K.M. Merz, Y. Miao,
+O. Mikhailovskii, G. Monard, H. Nguyen, A. Onufriev, F.Pan, S. Pantano,
+R. Qi, D.R. Roe, A. Roitberg, C. Sagui, S. Schott-Verdugo, J. Shen,
+C. Simmerling, N.R.Skrynnikov, J. Smith, J. Swails, R.C. Walker, J. Wang,
+L. Wilson, R.M. Wolf, X. Wu, Y. Xiong, Y. Xue, D.M. York
+and P.A. Kollman (2020),
+AMBER 2020, University of California, San Francisco.
+"""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+builddependencies = [
+    ('CMake', '3.23.1'),
+    ('binutils', '2.38'),
+]
+dependencies = [
+    ('FFTW.MPI', '3.3.10'),
+    ('Boost', '1.79.0'),
+    ('flex', '2.6.4'),
+    ('NCCL', 'default', '-CUDA-11.7'),
+    ('netCDF', '4.9.0'),
+    ('netCDF-Fortran', '4.6.0'),
+    ('PnetCDF', '1.12.3'),
+    ('Python', '3.10.4'),
+    ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+    ('mpi4py', '3.1.4', '', ('gompi', '2022a'))
+]
+
+sources = [
+    'AmberTools21.tar.bz2',
+    'Amber20.tar.bz2',
+]
+patches = [
+    'fix_nmrat_error.patch',
+    'adapt_to_python_3_10_api_changes.patch',
+    'AmberTools-21_CMake-FlexiBLAS.patch',
+    'AmberTools-21_fix_more_blas_argument_problems.patch',
+    'AmberTools-21_fix_rism_argument_mismatch.patch',
+    'AmberTools-21_fix_xray_fftpack_arg_mismatch.patch',
+    'Fix_FFTW_find_error_due_to_MPI_components.patch',
+    'Fix_netcdf_find_error_due_to_missed_F77_F90_interfaces.patch',
+]
+
+checksums = [
+    'f55fa930598d5a8e9749e8a22d1f25cab7fcf911d98570e35365dd7f262aaafd',
+    'a4c53639441c8cc85adee397933d07856cc4a723c82c6bea585cd76c197ead75',
+    '00394f987105f047cbacf5f002170a11720f0decbd399a59db6b3b6c8e950677',
+    'f5e7ff2fb5e782f5b64a70e750d1ccc6566fd600663dd339f1769ceca60f64d6',
+    '9543812c24c4b7842f64f1f8abaf2c92b5c4c0fadcdbd9811e76b81a778f0d36',
+    'c6279b57752239184b942d37f760749494ae0eff95236f3368c76ac0d2726a7c',
+    '14255e5739cec39303df570f06820c7532f7395e1b73b1e4104377984e2c9fc1',
+    '99c954e693659efc2a1d121f91510f56408006f0751d91595f45a34b03364e2f',
+    '468acfd764e8e3787f8f855e724a16ae11e92d36576994297eec26e6e0b41dd0',
+    '4f409c139ff49f61b1f617a34202b61223c2d8ae474ac9de62313aaad2284afd',
+]
+
+separate_build_dir = True
+local_build_mpi_parts = "TRUE"
+local_build_cuda_parts = "TRUE"
+local_build_cuda_nccl = "TRUE"
+
+preconfigopts = "CC=gcc && CXX=g++ && COMPILER=GNU "
+preconfigopts += " && cd %(builddir)s/amber20_src && "
+preconfigopts += " ./update_amber --update && cd ../easybuild_obj && "
+
+configopts = "-DCOMPILER=GNU -DCHECK_UPDATES=OFF -DAPPLY_UPDATES=OFF -DBUILD_GUI=FALSE "
+configopts += " -DINSTALL_TESTS=TRUE -DOPENMP=TRUE -DMPI=%s " % local_build_mpi_parts
+configopts += " -DDOWNLOAD_MINICONDA=FALSE -DTRUST_SYSTEM_LIBS=TRUE "
+configopts += " -DCUDA=%s " % local_build_cuda_parts
+configopts += " -DNCCL=%s " % local_build_cuda_nccl
+configopts += " -DBLA_VENDOR=FlexiBLAS "
+configopts += " -DFORCE_EXTERNAL_LIBS='boost;fftw;netcdf;netcdf-fortran;pnetcdf' "
+configopts += " -DUSE_FFT=TRUE "
+buildopts = 'NVCC_GENCODE="-gencode=arch=compute_70,code=sm_70 \
+                           -gencode=arch=compute_75,code=sm_75 \
+                           -gencode=arch=compute_80,code=sm_80"'
+
+modextravars = {
+    'AMBERHOME': '%(installdir)s/',
+}
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
+
+modluafooter = '''
+add_property("arch","gpu")
+'''
+
+group = "amber"
+
+modloadmsg = '''
+
+Info: (1) Check the loaded modules to see if loading the AMBER module
+succeeded. If it did, ignore the rest of this message. (2) If AMBER
+didn't load, one possible reason is that "amber" is not currently
+your primary group. You can temporarily change your primary group by
+typing "newgrp amber". (3) If that didn't work, you are probably
+not a member of the group "amber", you have to first add yourself
+to that group. Visit "https://judoor.fz-juelich.de/", follow the
+link "Request access to restricted software", enable "amber" for
+your account, wait 15-20 minutes and then try "newgrp amber" again.
+
+'''
+
+moduleclass = 'bio'

Golden_Repo/a/AMBER/AMBER-20-gpsmkl-2022a.eb

+easyblock = 'CMakeMake'
+
+name = 'AMBER'
+version = '20'
+versionsuffix = '-AmberTools-21-plumed'
+
+homepage = 'http://ambermd.org'
+description = """
+AMBER: 'Assisted Model Building with Energy Refinement' is a set of molecular
+mechanics force fields and a package of molecular simulation programs.
+
+Citation:
+D.A. Case, K. Belfon, I.Y. Ben-Shalom, S.R. Brozell, D.S. Cerutti,
+T.E. Cheatham, III, V.W.D. Cruzeiro, T.A. Darden, R.E. Duke, G. Giambasu,
+M.K. Gilson, H. Gohlke, A.W. Goetz, R. Harris, S. Izadi, S.A. Izmailov,
+K. Kasavajhala, A. Kovalenko, R. Krasny, T. Kurtzman, T.S. Lee, S. LeGrand,
+P. Li, C. Lin, J. Liu, T. Luchko, R. Luo, V. Man, K.M. Merz, Y. Miao,
+O. Mikhailovskii, G. Monard, H. Nguyen, A. Onufriev, F.Pan, S. Pantano,
+R. Qi, D.R. Roe, A. Roitberg, C. Sagui, S. Schott-Verdugo, J. Shen,
+C. Simmerling, N.R.Skrynnikov, J. Smith, J. Swails, R.C. Walker, J. Wang,
+L. Wilson, R.M. Wolf, X. Wu, Y. Xiong, Y. Xue, D.M. York
+and P.A. Kollman (2020),
+AMBER 2020, University of California, San Francisco.
+"""
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'pic': True}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+builddependencies = [
+    ('CMake', '3.23.1'),
+    ('binutils', '2.38'),
+]
+dependencies = [
+    #    ('FFTW.MPI', '3.3.10'),
+    ('Boost', '1.79.0'),
+    ('flex', '2.6.4'),
+    ('NCCL', 'default', '-CUDA-11.7'),
+    ('netCDF', '4.9.0'),
+    ('netCDF-Fortran', '4.6.0'),
+    ('PnetCDF', '1.12.3'),
+    ('Python', '3.10.4'),
+    ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')),
+    #    ('mpi4py', '3.1.4', '', ('gompi', '2022a'))
+    ('PLUMED', '2.8.1'),
+]
+
+sources = [
+    'AmberTools21.tar.bz2',
+    'Amber20.tar.bz2',
+]
+patches = [
+    'fix_nmrat_error.patch',
+    'adapt_to_python_3_10_api_changes.patch',
+    'AmberTools-21_CMake-FlexiBLAS.patch',
+    'AmberTools-21_fix_more_blas_argument_problems.patch',
+    'AmberTools-21_fix_rism_argument_mismatch.patch',
+    'AmberTools-21_fix_xray_fftpack_arg_mismatch.patch',
+    'Fix_FFTW_find_error_due_to_MPI_components.patch',
+    'Fix_netcdf_find_error_due_to_missed_F77_F90_interfaces.patch',
+]
+
+checksums = [
+    'f55fa930598d5a8e9749e8a22d1f25cab7fcf911d98570e35365dd7f262aaafd',
+    'a4c53639441c8cc85adee397933d07856cc4a723c82c6bea585cd76c197ead75',
+    '00394f987105f047cbacf5f002170a11720f0decbd399a59db6b3b6c8e950677',
+    'f5e7ff2fb5e782f5b64a70e750d1ccc6566fd600663dd339f1769ceca60f64d6',
+    '9543812c24c4b7842f64f1f8abaf2c92b5c4c0fadcdbd9811e76b81a778f0d36',
+    'c6279b57752239184b942d37f760749494ae0eff95236f3368c76ac0d2726a7c',
+    '14255e5739cec39303df570f06820c7532f7395e1b73b1e4104377984e2c9fc1',
+    '99c954e693659efc2a1d121f91510f56408006f0751d91595f45a34b03364e2f',
+    '468acfd764e8e3787f8f855e724a16ae11e92d36576994297eec26e6e0b41dd0',
+    '4f409c139ff49f61b1f617a34202b61223c2d8ae474ac9de62313aaad2284afd',
+]
+
+separate_build_dir = True
+local_build_mpi_parts = "TRUE"
+local_build_cuda_parts = "TRUE"
+local_build_cuda_nccl = "TRUE"
+
+preconfigopts = "CC=gcc && CXX=g++ && COMPILER=GNU "
+preconfigopts += " && cd %(builddir)s/amber20_src && "
+preconfigopts += " ./update_amber --update && cd ../easybuild_obj && "
+
+configopts = "-DCOMPILER=GNU -DCHECK_UPDATES=OFF -DAPPLY_UPDATES=OFF -DBUILD_GUI=FALSE "
+configopts += " -DINSTALL_TESTS=TRUE -DOPENMP=TRUE -DMPI=%s " % local_build_mpi_parts
+configopts += " -DDOWNLOAD_MINICONDA=FALSE -DTRUST_SYSTEM_LIBS=TRUE "
+configopts += " -DCUDA=%s " % local_build_cuda_parts
+configopts += " -DNCCL=%s " % local_build_cuda_nccl
+configopts += " -DBLA_VENDOR=FlexiBLAS "
+configopts += " -DFORCE_EXTERNAL_LIBS='boost;netcdf;netcdf-fortran;pnetcdf' "
+configopts += " -DUSE_FFT=TRUE "
+buildopts = 'NVCC_GENCODE="-gencode=arch=compute_70,code=sm_70 \
+                           -gencode=arch=compute_75,code=sm_75 \
+                           -gencode=arch=compute_80,code=sm_80"'
+
+modextravars = {
+    'AMBERHOME': '%(installdir)s/',
+}
+modextrapaths = {'PYTHONPATH': ['lib/python%(pyshortver)s/site-packages']}
+
+modluafooter = '''
+add_property("arch","gpu")
+'''
+
+group = "amber"
+
+modloadmsg = '''
+
+Info: (1) Check the loaded modules to see if loading the AMBER module
+succeeded. If it did, ignore the rest of this message. (2) If AMBER
+didn't load, one possible reason is that "amber" is not currently
+your primary group. You can temporarily change your primary group by
+typing "newgrp amber". (3) If that didn't work, you are probably
+not a member of the group "amber", you have to first add yourself
+to that group. Visit "https://judoor.fz-juelich.de/", follow the
+link "Request access to restricted software", enable "amber" for
+your account, wait 15-20 minutes and then try "newgrp amber" again.
+
+'''
+
+moduleclass = 'bio'

Golden_Repo/a/AMBER/Fix_FFTW_find_error_due_to_MPI_components.patch

+diff -ruN A20_src/AmberTools/src/quick/cmake/jedbrown/FindFFTW.cmake A20_src1/AmberTools/src/quick/cmake/jedbrown/FindFFTW.cmake
+Fix MPI related errors in CMake FindFFTW modules
+author: Sandipan Mohanty (Juelich Supercomputing Centre)
+--- A20_src/AmberTools/src/quick/cmake/jedbrown/FindFFTW.cmake	2023-01-28 14:19:26.575506981 +0100
++++ A20_src1/AmberTools/src/quick/cmake/jedbrown/FindFFTW.cmake	2023-01-28 14:05:09.172659586 +0100
+@@ -242,7 +242,7 @@
+ 
+ 	set(CMAKE_REQUIRED_LIBRARIES ${FFTW_LIBRARY_MPI})
+ 	if(EXISTS "${FFTW_LIBRARY_MPI}")
+-		fftw_check_c_function(fftw_mpi_init FFTW_MPI_WORKS)
++		fftw_check_c_function(fftw_mpi_init FFTW_MPI_WORKS ${FFTW_LIBRARY_MPI} ${FFTW_LIBRARY_SERIAL} ${MPI_C_LIBRARIES})
+ 	else()
+ 		set(FFTW_MPI_WORKS FALSE)
+ 	endif()
+@@ -365,4 +365,4 @@
+ endif()
+ 
+ # don't leak required libraries
+-set(CMAKE_REQUIRED_LIBRARIES "")
+\ No newline at end of file
++set(CMAKE_REQUIRED_LIBRARIES "")
+diff -ruN A20_src/cmake/jedbrown/FindFFTW.cmake A20_src1/cmake/jedbrown/FindFFTW.cmake
+--- A20_src/cmake/jedbrown/FindFFTW.cmake	2023-01-28 14:18:50.145392374 +0100
++++ A20_src1/cmake/jedbrown/FindFFTW.cmake	2023-01-28 14:03:56.662393042 +0100
+@@ -242,7 +242,7 @@
+ 
+ 	set(CMAKE_REQUIRED_LIBRARIES ${FFTW_LIBRARY_MPI})
+ 	if(EXISTS "${FFTW_LIBRARY_MPI}")
+-		fftw_check_c_function(fftw_mpi_init FFTW_MPI_WORKS)
++		fftw_check_c_function(fftw_mpi_init FFTW_MPI_WORKS ${FFTW_LIBRARY_MPI} ${FFTW_LIBRARY_SERIAL} ${MPI_C_LIBRARIES})
+ 	else()
+ 		set(FFTW_MPI_WORKS FALSE)
+ 	endif()
+@@ -365,4 +365,4 @@
+ endif()
+ 
+ # don't leak required libraries
+-set(CMAKE_REQUIRED_LIBRARIES "")
+\ No newline at end of file
++set(CMAKE_REQUIRED_LIBRARIES "")

Golden_Repo/a/AMBER/Fix_netcdf_find_error_due_to_missed_F77_F90_interfaces.patch

+diff -ruN A20_src/cmake/jedbrown/FindNetCDF.cmake A20_src1/cmake/jedbrown/FindNetCDF.cmake
+Fix NetCDF find errors in CMake modules due to F77 and F90 interface detection errors
+author: Sandipan Mohanty (Juelich Supercomputing Centre)
+--- A20_src/cmake/jedbrown/FindNetCDF.cmake	2023-01-28 14:29:38.347400350 +0100
++++ A20_src1/cmake/jedbrown/FindNetCDF.cmake	2023-01-28 14:02:28.892122573 +0100
+@@ -51,7 +51,7 @@
+ get_filename_component(NetCDF_lib_dirs "${NetCDF_LIBRARIES_C}" PATH)
+ 
+ macro (NetCDF_check_interface lang header libs)
+-	find_path (NetCDF_INCLUDES_${lang} NAMES ${header} HINTS "${NetCDF_INCLUDES}" NO_DEFAULT_PATH)
++	find_path (NetCDF_INCLUDES_${lang} NAMES ${header})
+   
+ 	find_library (NetCDF_LIBRARIES_${lang} NAMES ${libs} HINTS "${NetCDF_lib_dirs}")
+ 

Golden_Repo/a/AMBER/fix_nmrat_error.patch

+diff -ruN amber20_src/src/pmemd/src/cuda/gpu.cpp amber20_src1/src/pmemd/src/cuda/gpu.cpp
+Fix error about the 2D array nmrat being given 1 index before a comparison with 0
+author: Sandipan Mohanty (Juelich Supercomputing Centre)
+--- amber20_src/src/pmemd/src/cuda/gpu.cpp	2022-02-28 12:02:56.035534480 +0100
++++ amber20_src1/src/pmemd/src/cuda/gpu.cpp	2022-02-28 12:26:15.265104588 +0100
+@@ -2849,7 +2849,7 @@
+     }
+     // torsions, resttype = 3
+     else if (resttype[i] == 3) {
+-      if (nmrat[i][0] >= 0 && nmrat[i][1] >= 0 && nmrat[i][2] >= 0 && nmrat[3] >= 0) {
++      if (nmrat[i][0] >= 0 && nmrat[i][1] >= 0 && nmrat[i][2] >= 0 && nmrat[i][3] >= 0) {
+         torsions++;
+       }
+       else {

Golden_Repo/a/AMD-uProf/AMD-uProf-4.0.341-GCCcore-11.3.0.eb

+##
+# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+#            Ilya Zhukov <i.zhukov@fz-juelich.de>
+##
+easyblock = 'Binary'
+
+name = 'AMD-uProf'
+version = '4.0.341'
+
+homepage = 'https://developer.amd.com/amd-uprof/'
+
+description = """AMD uProf is a performance analysis tool for applications running on Windows, Linux & FreeBSD
+ operating systems. It allows developers to better understand the runtime performance of their application and
+ to identify ways to improve its performance."""
+
+usage = """
+Provide "--disable-perfparanoid" option to your sbatch command to enable collection of required perf events.
+
+Typical workflow consists of three phases:
+Provide "--disable-perfparanoid" option to your sbatch command to enable to collect all required perf events.
+
+1. Collect phase - run the application program and collect the profile data, e.g.
+   $ srun <srun_options> AMDuProfCLI collect <additional_collect_options> <program> [<args>]
+
+2. Translate phase - process the profile data to aggregate, correlate, and organize into database
+   $ AMDuProfCLI report -i <report_directory>
+
+3. Analyze phase - view and analyze the performance data to identify the bottlenecks
+   $ AMDuProf <report_directory>
+
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://developer.amd.com/wordpress/media/files/']
+sources = ['AMDuProf_Linux_x64_%(version)s.tar.bz2']
+checksums = ['7072b2b4a00a215abcd3a782600930d799e0c5335c2fd9b12283627a73a1fa68']
+
+extract_sources = True
+
+sanity_check_paths = {
+    'files': ['include/AMDTPowerProfileApi.h', 'lib/x64/libAMDProfileController.a',
+              'bin/libAMDThreadProfileAPI.%s' % SHLIB_EXT, 'bin/AMDuProf'],
+    'dirs': ['Examples']
+}
+
+sanity_check_commands = ['AMDuProfCLI info --system']
+
+modextrapaths = {
+    'LD_LIBRARY_PATH': 'bin'
+}
+
+moduleclass = 'perf'

Golden_Repo/a/APR-util/APR-util-1.6.1-GCCcore-11.3.0.eb

+easyblock = 'ConfigureMake'
+
+name = 'APR-util'
+version = '1.6.1'
+
+homepage = 'https://apr.apache.org/'
+description = "Apache Portable Runtime (APR) util libraries."
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://archive.apache.org/dist/apr/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['b65e40713da57d004123b6319828be7f1273fbc6490e145874ee1177e112c459']
+
+builddependencies = [('binutils', '2.38')]
+
+dependencies = [
+    ('APR', '1.7.0'),
+    ('SQLite', '3.38.3'),
+    ('expat', '2.4.8'),
+]
+
+configopts = "--with-apr=$EBROOTAPR/bin/apr-1-config --with-sqlite3=$EBROOTSQLITE --with-expat=$EBROOTEXPAT "
+
+sanity_check_paths = {
+    'files': ["bin/apu-1-config", "lib/libaprutil-1.%s" % SHLIB_EXT, "lib/libaprutil-1.a"],
+    'dirs': ["include/apr-1"],
+}
+
+parallel = 1
+
+moduleclass = 'tools'

Golden_Repo/a/APR/APR-1.7.0-GCCcore-11.3.0.eb

+easyblock = 'ConfigureMake'
+
+name = 'APR'
+version = '1.7.0'
+
+homepage = 'https://apr.apache.org/'
+description = "Apache Portable Runtime (APR) libraries."
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://archive.apache.org/dist/apr/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['48e9dbf45ae3fdc7b491259ffb6ccf7d63049ffacbc1c0977cced095e4c2d5a2']
+
+builddependencies = [('binutils', '2.38')]
+
+sanity_check_paths = {
+    'files': ["bin/apr-1-config", "lib/libapr-1.%s" % SHLIB_EXT, "lib/libapr-1.a"],
+    'dirs': ["include/apr-1"],
+}
+
+moduleclass = 'tools'

Golden_Repo/a/Arrow/Arrow-8.0.0-foss-2022a.eb

+easyblock = 'CMakeMake'
+
+name = 'Arrow'
+version = '8.0.0'
+
+homepage = 'https://arrow.apache.org'
+description = """Apache Arrow (incl. PyArrow Python bindings), a cross-language development platform
+ for in-memory data."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+source_urls = ['https://archive.apache.org/dist/%(namelower)s/%(namelower)s-%(version)s']
+sources = ['apache-arrow-%(version)s.tar.gz']
+checksums = ['ad9a05705117c989c116bae9ac70492fe015050e1b80fb0e38fde4b5d863aaa3']
+
+builddependencies = [
+    ('CMake', '3.23.1'),
+    ('Autotools', '20220317'),
+    ('flex', '2.6.4'),
+    ('Bison', '3.8.2'),
+    ('pkgconf', '1.8.0'),
+]
+
+# Arrow strongly prefers included jemalloc, so not including it as a dependency
+dependencies = [
+    ('Python', '3.10.4'),
+    ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),  # for numpy
+    ('Boost', '1.79.0'),
+    ('lz4', '1.9.3'),
+    ('zlib', '1.2.12'),
+    ('bzip2', '1.0.8'),
+    ('zstd', '1.5.2'),
+    ('snappy', '1.1.9'),
+    ('RapidJSON', '1.1.0'),
+    ('RE2', '2022-06-01'),
+    ('utf8proc', '2.7.0'),
+]
+
+start_dir = 'cpp'
+
+# see https://arrow.apache.org/docs/developers/python.html
+configopts = "-DARROW_DATASET=on -DARROW_PYTHON=on -DARROW_PARQUET=ON -DARROW_WITH_SNAPPY=ON "
+configopts += "-DCMAKE_INSTALL_LIBDIR=lib -DPython3_ROOT_DIR=$EBROOTPYTHON "
+configopts += "-DARROW_WITH_ZLIB=ON -DARROW_WITH_BZ2=ON -DARROW_WITH_ZSTD=ON -DARROW_WITH_LZ4=ON "
+configopts += "-DZSTD_ROOT=$EBROOTZSTD "
+
+# also install Python bindings
+local_install_pyarrow_cmds = "export PKG_CONFIG_PATH=%(installdir)s/lib/pkgconfig:$PKG_CONFIG_PATH && "
+local_install_pyarrow_cmds += "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && "
+local_install_pyarrow_cmds += "cd %(builddir)s/*arrow-%(version)s/python && export XDG_CACHE_HOME=$TMPDIR && "
+local_install_pyarrow_cmds += "sed -i 's/numpy==[0-9.]*/numpy/g' pyproject.toml && "
+local_install_pyarrow_cmds += "Python3_ROOT_DIR=$EBROOTPYTHON "
+local_install_pyarrow_cmds += "PYARROW_WITH_DATASET=1 PYARROW_WITH_PARQUET=1 pip install --prefix %(installdir)s ."
+postinstallcmds = [local_install_pyarrow_cmds]
+
+modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
+
+sanity_check_paths = {
+    'files': ['lib/libarrow.a', 'lib/libarrow.%s' % SHLIB_EXT,
+              'lib/libarrow_python.a', 'lib/libarrow_python.%s' % SHLIB_EXT],
+    'dirs': ['include/arrow', 'lib/cmake/arrow', 'lib/pkgconfig', 'lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = [
+    "python -c 'import pyarrow'",
+    "python -c 'import pyarrow.dataset'",
+    "python -c 'import pyarrow.parquet'",
+]
+
+moduleclass = 'data'

Golden_Repo/b/BEDTools/BEDTools-2.30.0-GCC-11.3.0.eb

+# Author: Maxime Schmitt, University of Luxembourg
+# Author: Adam Huffman, The Francis Crick Institute
+#
+# Based on the work of: Pablo Escobar Lopez
+# Swiss Institute of Bioinformatics (SIB)
+# Biozentrum - University of Basel
+
+easyblock = 'MakeCp'
+
+name = 'BEDTools'
+version = '2.30.0'
+
+homepage = "https://bedtools.readthedocs.io/"
+description = """BEDTools: a powerful toolset for genome arithmetic.
+The BEDTools utilities allow one to address common genomics tasks such as finding feature overlaps and
+computing coverage.
+The utilities are largely based on four widely-used file formats: BED, GFF/GTF, VCF, and SAM/BAM."""
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+
+source_urls = ['https://github.com/arq5x/bedtools2/releases/download/v%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['333ad1ffcdc6e36005b4d6c9290677986ee97871cff92ed821c1b643d38150b8']
+
+builddependencies = [('Python', '3.10.4')]
+
+dependencies = [
+    ('XZ', '5.2.5'),
+    ('zlib', '1.2.12'),
+    ('bzip2', '1.0.8'),
+    ('BamTools', '2.5.2'),
+]
+
+buildopts = 'CXX="$CXX"'
+
+files_to_copy = ["bin", "docs", "data", "genomes", "scripts", "test"]
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['bedtools', 'pairToBed', 'mergeBed', 'bedToBam', 'fastaFromBed']],
+    'dirs': files_to_copy,
+}
+
+sanity_check_commands = ['bedtools --help']
+
+moduleclass = 'bio'

Golden_Repo/b/BamTools/BamTools-2.5.2-GCC-11.3.0.eb

+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+name = 'BamTools'
+version = '2.5.2'
+
+homepage = 'https://github.com/pezmaster31/bamtools'
+description = "BamTools provides both a programmer's API and an end-user's toolkit for handling BAM files."
+
+toolchain = {'name': 'GCC', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+# https://github.com/pezmaster31/bamtools
+github_account = 'pezmaster31'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['4d8b84bd07b673d0ed41031348f10ca98dd6fa6a4460f9b9668d6f1d4084dfc8']
+
+builddependencies = [('CMake', '3.23.1')]
+
+moduleclass = 'bio'

Golden_Repo/b/Blender/Blender-3.4.1-GCCcore-11.3.0-binary.eb

+easyblock = 'PackedBinary'
+
+name = 'Blender'
+version = '3.4.1'
+versionsuffix = '-binary'
+
+homepage = 'https://www.blender.org'
+description = """
+Blender is the free and open source 3D creation suite. It supports the entirety of the 3D pipeline,
+modeling, rigging, animation, simulation, rendering, compositing and motion tracking, even video 
+editing and game creation.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['http://ftp.nluug.nl/pub/graphics/%(namelower)s/release/%(name)s%(version_major_minor)s/']
+sources = ['%(namelower)s-%(version)s-linux-x64.tar.xz']
+checksums = ['1497f83f93e9bbbde745422c795ed10fe15f92f5622b4421768f149fbe776981']
+
+dependencies = [
+    ('X11', '20220504'),
+    ('OpenGL', '2022a'),
+    ('CUDA', '11.7', '', SYSTEM),
+]
+
+postinstallcmds = [
+    # remove Blenders OpenGL libs
+    'rm -rf %(installdir)s/lib/mesa',
+]
+
+sanity_check_paths = {
+    'files': ['%(namelower)s'],
+    'dirs': ['%(version_major_minor)s'],
+}
+
+modaliases = {
+    'blender': 'blender -- --cycles-device CUDA',
+}
+
+moduleclass = 'vis'

Golden_Repo/b/Blosc/Blosc-1.21.3-GCCcore-11.3.0.eb

+easyblock = 'CMakeMake'
+
+name = 'Blosc'
+version = '1.21.3'
+
+homepage = 'https://www.blosc.org/'
+
+description = "Blosc, an extremely fast, multi-threaded, meta-compressor library"
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True, 'cstd': 'c++11'}
+
+source_urls = ['https://github.com/Blosc/c-blosc/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['941016c4564bca662080bb01aea74f06630bd665e598c6f6967fd91b2e2e0bb6']
+
+builddependencies = [
+    ('binutils', '2.38'),
+    ('CMake', '3.23.1'),
+]
+
+sanity_check_paths = {
+    'files': ['include/blosc-export.h', 'include/blosc.h', 'lib/libblosc.a',
+              'lib/libblosc.%s' % SHLIB_EXT],
+    'dirs': [],
+}
+
+moduleclass = 'lib'

Golden_Repo/c/CGNS/CGNS-4.3.0-gpsmpi-2022a.eb

+# easyconfig file for CGNS library
+easyblock = 'CMakeMake'
+
+name = 'CGNS'
+version = '4.3.0'
+
+homepage = 'https://cgns.github.io/'
+description = """The CGNS system is designed to facilitate the exchange
+of data between sites and applications, and to help stabilize the archiving
+of aerodynamic data."""
+
+toolchain = {'name': 'gpsmpi', 'version': '2022a'}
+toolchainopts = {'optarch': True, 'pic': True, 'usempi': True}
+
+source_urls = ['https://github.com/CGNS/CGNS/archive/refs/tags/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['7709eb7d99731dea0dd1eff183f109eaef8d9556624e3fbc34dc5177afc0a032']  # CGNS-4.3.0.tar.gz
+
+dependencies = [
+    ('HDF5', '1.12.2'),
+]
+
+builddependencies = [
+    ('CMake', '3.23.1'),
+]
+
+sanity_check_paths = {
+    'files': ["bin/%s" % x for x in ["cgnscheck", "cgnscompress",
+              "cgnsconvert", "cgnsdiff", "cgnslist", "cgnsnames",
+                                                     "cgnsupdate"]],
+    'dirs': [],
+}
+
+moduleclass = 'cae'