From 85e86a30dee7c5eed40d54e7365ebdc06f340c57 Mon Sep 17 00:00:00 2001
From: Damian Alvarez <swmanage@jwlogin04.juwels>
Date: Tue, 25 May 2021 19:06:32 +0200
Subject: [PATCH] New set of toolchains for the 2020 update
---
.../flexible_custom_hierarchical_mns.py | 2 +-
Custom_Toolchains/iimpi.py | 111 ++++++++++++++++++
Custom_Toolchains/iompi.py | 109 +++++++++++++++++
Custom_Toolchains/ipsmpi.py | 109 +++++++++++++++++
Golden_Repo/g/GCC/GCC-10.3.0.eb | 6 -
Golden_Repo/g/gpsmkl/gpsmkl-2021.eb | 25 ++++
Golden_Repo/g/gpsmpi/gpsmpi-2021.eb | 20 ++++
Golden_Repo/i/iimpi/iimpi-2021.eb | 20 ++++
.../i/imkl/imkl-2020.4.304-ipsmpi-2020.eb | 2 +-
.../i/imkl/imkl-2021.2.0-gompi-2021.eb | 20 +++-
.../i/imkl/imkl-2021.2.0-gpsmpi-2021.eb | 36 ++++++
.../i/imkl/imkl-2021.2.0-iimpi-2021.eb | 36 ++++++
.../i/imkl/imkl-2021.2.0-iompi-2021.eb | 36 ++++++
.../i/imkl/imkl-2021.2.0-ipsmpi-2021.eb | 36 ++++++
.../i/imkl/imkl-2021.2.0-npsmpic-2021.eb | 39 ++++++
Golden_Repo/i/imkl/imkl-2021.2.0.eb | 20 +++-
...2.0-intel-compilers-2021.2.0-GCC-10.3.0.eb | 20 ++++
.../intel-compilers-2021.2.0-GCC-10.3.0.eb | 34 ++++++
Golden_Repo/i/intel-para/intel-para-2021.eb | 25 ++++
Golden_Repo/i/intel/intel-2021.eb | 22 ++++
Golden_Repo/i/iompi/iompi-2021.eb | 21 ++++
Golden_Repo/i/ipsmpi/ipsmpi-2021.eb | 20 ++++
Golden_Repo/n/NVHPC/NVHPC-21.4-GCC-10.3.0.eb | 82 +++++++++++++
Golden_Repo/n/npsmpic/npsmpic-2021.eb | 21 ++++
.../o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb | 12 +-
.../OpenMPI-4.1.1-NVHPC-21.4-GCC-10.3.0.eb | 63 ++++++++++
...1.1-intel-compilers-2021.2.0-GCC-10.3.0.eb | 63 ++++++++++
.../p/pscom/pscom-5.4-default-CUDA-11.3.eb | 50 ++++++++
.../p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb | 43 +++++++
.../psmpi-5.4.9-1-NVHPC-21.4-GCC-10.3.0.eb | 53 +++++++++
...-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb | 44 +++++++
...9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb | 43 +++++++
.../u/UCX/{UCX-1.10.0.eb => UCX-1.10.1.eb} | 4 +-
.../impi-2021.2.0-intel-compilers-2021.2.0.eb | 18 +++
.../p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb | 38 ++++++
...-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb | 39 ++++++
...9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb | 38 ++++++
37 files changed, 1352 insertions(+), 28 deletions(-)
create mode 100644 Custom_Toolchains/iimpi.py
create mode 100644 Custom_Toolchains/iompi.py
create mode 100644 Custom_Toolchains/ipsmpi.py
create mode 100644 Golden_Repo/g/gpsmkl/gpsmkl-2021.eb
create mode 100644 Golden_Repo/g/gpsmpi/gpsmpi-2021.eb
create mode 100644 Golden_Repo/i/iimpi/iimpi-2021.eb
create mode 100644 Golden_Repo/i/imkl/imkl-2021.2.0-gpsmpi-2021.eb
create mode 100644 Golden_Repo/i/imkl/imkl-2021.2.0-iimpi-2021.eb
create mode 100644 Golden_Repo/i/imkl/imkl-2021.2.0-iompi-2021.eb
create mode 100644 Golden_Repo/i/imkl/imkl-2021.2.0-ipsmpi-2021.eb
create mode 100644 Golden_Repo/i/imkl/imkl-2021.2.0-npsmpic-2021.eb
create mode 100644 Golden_Repo/i/impi/impi-2021.2.0-intel-compilers-2021.2.0-GCC-10.3.0.eb
create mode 100644 Golden_Repo/i/intel-compilers/intel-compilers-2021.2.0-GCC-10.3.0.eb
create mode 100644 Golden_Repo/i/intel-para/intel-para-2021.eb
create mode 100644 Golden_Repo/i/intel/intel-2021.eb
create mode 100644 Golden_Repo/i/iompi/iompi-2021.eb
create mode 100644 Golden_Repo/i/ipsmpi/ipsmpi-2021.eb
create mode 100644 Golden_Repo/n/NVHPC/NVHPC-21.4-GCC-10.3.0.eb
create mode 100644 Golden_Repo/n/npsmpic/npsmpic-2021.eb
create mode 100644 Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-NVHPC-21.4-GCC-10.3.0.eb
create mode 100644 Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-intel-compilers-2021.2.0-GCC-10.3.0.eb
create mode 100644 Golden_Repo/p/pscom/pscom-5.4-default-CUDA-11.3.eb
create mode 100644 Golden_Repo/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb
create mode 100644 Golden_Repo/p/psmpi/psmpi-5.4.9-1-NVHPC-21.4-GCC-10.3.0.eb
create mode 100644 Golden_Repo/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb
create mode 100644 Golden_Repo/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb
rename Golden_Repo/u/UCX/{UCX-1.10.0.eb => UCX-1.10.1.eb} (95%)
create mode 100644 Overlays/jurecabooster_overlay/i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb
create mode 100644 Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb
create mode 100644 Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb
create mode 100644 Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb
diff --git a/Custom_MNS/flexible_custom_hierarchical_mns.py b/Custom_MNS/flexible_custom_hierarchical_mns.py
index 640e87e73..861a209d4 100644
--- a/Custom_MNS/flexible_custom_hierarchical_mns.py
+++ b/Custom_MNS/flexible_custom_hierarchical_mns.py
@@ -64,7 +64,7 @@ class FlexibleCustomHierarchicalMNS(HierarchicalMNS):
<name>/<version>[-<toolchain>]
"""
# We rename our iccifort compiler to INTEL and this needs a hard fix because it is a toolchain
- if name == 'iccifort':
+ if name == 'iccifort' or name == 'intel-compilers':
modname_regex = re.compile('^%s/\S+$' % re.escape('Intel'))
elif name == 'psmpi':
modname_regex = re.compile('^%s/\S+$' % re.escape('ParaStationMPI'))
diff --git a/Custom_Toolchains/iimpi.py b/Custom_Toolchains/iimpi.py
new file mode 100644
index 000000000..0a2104872
--- /dev/null
+++ b/Custom_Toolchains/iimpi.py
@@ -0,0 +1,111 @@
+##
+# Copyright 2012-2021 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 intel compiler toolchain (includes Intel compilers (icc, ifort), Intel MPI).
+
+:author: Stijn De Weirdt (Ghent University)
+:author: Kenneth Hoste (Ghent University)
+"""
+from distutils.version import LooseVersion
+import re
+
+from easybuild.toolchains.iccifort import IccIfort
+from easybuild.toolchains.intel_compilers import IntelCompilersToolchain
+from easybuild.toolchains.mpi.intelmpi import IntelMPI
+
+
+class Iimpi(IccIfort, IntelCompilersToolchain, IntelMPI):
+ """
+ Compiler toolchain with Intel compilers (icc/ifort), Intel MPI.
+ """
+ NAME = 'iimpi'
+ # compiler-only subtoolchain can't be determine statically
+ # since depends on toolchain version (see below),
+ # so register both here as possible alternatives (which is taken into account elsewhere)
+ SUBTOOLCHAIN = [(IntelCompilersToolchain.NAME, IccIfort.NAME)]
+
+ def __init__(self, *args, **kwargs):
+ """Constructor for Iimpi toolchain class."""
+
+ super(Iimpi, self).__init__(*args, **kwargs)
+
+ # make sure a non-symbolic version (e.g., 'system') is used before making comparisons using LooseVersion
+ if re.match('^[0-9]', self.version):
+ # need to transform a version like '2016a' with something that is safe to compare with '8.0', '2016.01'
+ # comparing subversions that include letters causes TypeErrors in Python 3
+ # 'a' is assumed to be equivalent with '.01' (January), and 'b' with '.07' (June)
+ # (good enough for this purpose)
+ self.iimpi_ver = self.version.replace('a', '.01').replace('b', '.07')
+ if LooseVersion(self.iimpi_ver) >= LooseVersion('2020.12'):
+ self.oneapi_gen = True
+ self.SUBTOOLCHAIN = IntelCompilersToolchain.NAME
+ self.COMPILER_MODULE_NAME = IntelCompilersToolchain.COMPILER_MODULE_NAME
+ else:
+ self.oneapi_gen = False
+ self.SUBTOOLCHAIN = IccIfort.NAME
+ self.COMPILER_MODULE_NAME = IccIfort.COMPILER_MODULE_NAME
+ else:
+ self.iimpi_ver = self.version
+ self.oneapi_gen = False
+
+ def is_deprecated(self):
+ """Return whether or not this toolchain is deprecated."""
+
+ deprecated = False
+
+ # make sure a non-symbolic version (e.g., 'system') is used before making comparisons using LooseVersion
+ if re.match('^[0-9]', str(self.iimpi_ver)):
+ loosever = LooseVersion(self.iimpi_ver)
+ # iimpi toolchains older than iimpi/2016.01 are deprecated
+ # iimpi 8.1.5 is an exception, since it used in intel/2016a (which is not deprecated yet)
+ if loosever < LooseVersion('8.0'):
+ deprecated = True
+ elif loosever > LooseVersion('2000') and loosever < LooseVersion('2016.01'):
+ deprecated = True
+
+ return deprecated
+
+ def is_dep_in_toolchain_module(self, *args, **kwargs):
+ """Check whether a specific software name is listed as a dependency in the module for this toolchain."""
+ if self.oneapi_gen:
+ res = IntelCompilersToolchain.is_dep_in_toolchain_module(self, *args, **kwargs)
+ else:
+ res = IccIfort.is_dep_in_toolchain_module(self, *args, **kwargs)
+
+ return res
+
+ def _set_compiler_vars(self):
+ """Intel compilers-specific adjustments after setting compiler variables."""
+ if self.oneapi_gen:
+ IntelCompilersToolchain._set_compiler_vars(self)
+ else:
+ IccIfort._set_compiler_vars(self)
+
+ def set_variables(self):
+ """Intel compilers-specific adjustments after setting compiler variables."""
+ if self.oneapi_gen:
+ IntelCompilersToolchain.set_variables(self)
+ else:
+ IccIfort.set_variables(self)
diff --git a/Custom_Toolchains/iompi.py b/Custom_Toolchains/iompi.py
new file mode 100644
index 000000000..e4f81ca0a
--- /dev/null
+++ b/Custom_Toolchains/iompi.py
@@ -0,0 +1,109 @@
+##
+# Copyright 2012-2021 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 iompi compiler toolchain (includes Intel compilers (icc, ifort) and OpenMPI.
+
+:author: Stijn De Weirdt (Ghent University)
+:author: Kenneth Hoste (Ghent University)
+:author: Damian Alvarez (Forschungszentrum Juelich GmbH)
+"""
+from distutils.version import LooseVersion
+import re
+
+from easybuild.toolchains.iccifort import IccIfort
+from easybuild.toolchains.intel_compilers import IntelCompilersToolchain
+from easybuild.toolchains.mpi.openmpi import OpenMPI
+
+
+class Iompi(IccIfort, IntelCompilersToolchain, OpenMPI):
+ """
+ Compiler toolchain with Intel compilers (icc/ifort) and OpenMPI.
+ """
+ NAME = 'iompi'
+ # compiler-only subtoolchain can't be determine statically
+ # since depends on toolchain version (see below),
+ # so register both here as possible alternatives (which is taken into account elsewhere)
+ SUBTOOLCHAIN = [(IntelCompilersToolchain.NAME, IccIfort.NAME)]
+
+ def __init__(self, *args, **kwargs):
+ """Constructor for Iompi toolchain class."""
+
+ super(Iompi, self).__init__(*args, **kwargs)
+
+ # make sure a non-symbolic version (e.g., 'system') is used before making comparisons using LooseVersion
+ if re.match('^[0-9]', self.version):
+ # need to transform a version like '2016a' with something that is safe to compare with '8.0', '2016.01'
+ # comparing subversions that include letters causes TypeErrors in Python 3
+ # 'a' is assumed to be equivalent with '.01' (January), and 'b' with '.07' (June)
+ # (good enough for this purpose)
+ self.iompi_ver = self.version.replace('a', '.01').replace('b', '.07')
+ if LooseVersion(self.iompi_ver) >= LooseVersion('2020.12'):
+ self.oneapi_gen = True
+ self.SUBTOOLCHAIN = IntelCompilersToolchain.NAME
+ self.COMPILER_MODULE_NAME = IntelCompilersToolchain.COMPILER_MODULE_NAME
+ else:
+ self.oneapi_gen = False
+ self.SUBTOOLCHAIN = IccIfort.NAME
+ self.COMPILER_MODULE_NAME = IccIfort.COMPILER_MODULE_NAME
+ else:
+ self.ipsmpi_ver = self.version
+ self.oneapi_gen = False
+
+ def is_deprecated(self):
+ """Return whether or not this toolchain is deprecated."""
+
+ deprecated = False
+
+ # make sure a non-symbolic version (e.g., 'system') is used before making comparisons using LooseVersion
+ if re.match('^[0-9]', str(self.iompi_ver)):
+ loosever = LooseVersion(self.iompi_ver)
+ # iompi toolchains older than iompi/2016.x are deprecated
+ if loosever < LooseVersion('2017'):
+ deprecated = True
+
+ return deprecated
+
+ def is_dep_in_toolchain_module(self, *args, **kwargs):
+ """Check whether a specific software name is listed as a dependency in the module for this toolchain."""
+ if self.oneapi_gen:
+ res = IntelCompilersToolchain.is_dep_in_toolchain_module(self, *args, **kwargs)
+ else:
+ res = IccIfort.is_dep_in_toolchain_module(self, *args, **kwargs)
+
+ return res
+
+ def _set_compiler_vars(self):
+ """Intel compilers-specific adjustments after setting compiler variables."""
+ if self.oneapi_gen:
+ IntelCompilersToolchain._set_compiler_vars(self)
+ else:
+ IccIfort._set_compiler_vars(self)
+
+ def set_variables(self):
+ """Intel compilers-specific adjustments after setting compiler variables."""
+ if self.oneapi_gen:
+ IntelCompilersToolchain.set_variables(self)
+ else:
+ IccIfort.set_variables(self)
diff --git a/Custom_Toolchains/ipsmpi.py b/Custom_Toolchains/ipsmpi.py
new file mode 100644
index 000000000..ccb0767a2
--- /dev/null
+++ b/Custom_Toolchains/ipsmpi.py
@@ -0,0 +1,109 @@
+##
+# Copyright 2012-2021 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 intel compiler toolchain (includes Intel compilers (icc, ifort), Parastation MPICH).
+
+:author: Stijn De Weirdt (Ghent University)
+:author: Kenneth Hoste (Ghent University)
+:author: Damian Alvarez (Forschungszentrum Juelich GmbH)
+"""
+from distutils.version import LooseVersion
+import re
+
+from easybuild.toolchains.iccifort import IccIfort
+from easybuild.toolchains.intel_compilers import IntelCompilersToolchain
+from easybuild.toolchains.mpi.psmpi import Psmpi
+
+
+class Ipsmpi(IccIfort, IntelCompilersToolchain, Psmpi):
+ """
+ Compiler toolchain with Intel compilers (icc/ifort), Parastation MPICH.
+ """
+ NAME = 'ipsmpi'
+ # compiler-only subtoolchain can't be determine statically
+ # since depends on toolchain version (see below),
+ # so register both here as possible alternatives (which is taken into account elsewhere)
+ SUBTOOLCHAIN = [(IntelCompilersToolchain.NAME, IccIfort.NAME)]
+
+ def __init__(self, *args, **kwargs):
+ """Constructor for Ipsmpi toolchain class."""
+
+ super(Ipsmpi, self).__init__(*args, **kwargs)
+
+ # make sure a non-symbolic version (e.g., 'system') is used before making comparisons using LooseVersion
+ if re.match('^[0-9]', self.version):
+ # need to transform a version like '2016a' with something that is safe to compare with '8.0', '2016.01'
+ # comparing subversions that include letters causes TypeErrors in Python 3
+ # 'a' is assumed to be equivalent with '.01' (January), and 'b' with '.07' (June)
+ # (good enough for this purpose)
+ self.ipsmpi_ver = self.version.replace('a', '.01').replace('b', '.07')
+ if LooseVersion(self.ipsmpi_ver) >= LooseVersion('2020.12'):
+ self.oneapi_gen = True
+ self.SUBTOOLCHAIN = IntelCompilersToolchain.NAME
+ self.COMPILER_MODULE_NAME = IntelCompilersToolchain.COMPILER_MODULE_NAME
+ else:
+ self.oneapi_gen = False
+ self.SUBTOOLCHAIN = IccIfort.NAME
+ self.COMPILER_MODULE_NAME = IccIfort.COMPILER_MODULE_NAME
+ else:
+ self.ipsmpi_ver = self.version
+ self.oneapi_gen = False
+
+ def is_deprecated(self):
+ """Return whether or not this toolchain is deprecated."""
+
+ deprecated = False
+
+ # make sure a non-symbolic version (e.g., 'system') is used before making comparisons using LooseVersion
+ if re.match('^[0-9]', str(self.ipsmpi_ver)):
+ loosever = LooseVersion(self.ipsmpi_ver)
+ # ipsmpi toolchains older than ipsmpi/2016.x are deprecated
+ if loosever < LooseVersion('2017'):
+ deprecated = True
+
+ return deprecated
+
+ def is_dep_in_toolchain_module(self, *args, **kwargs):
+ """Check whether a specific software name is listed as a dependency in the module for this toolchain."""
+ if self.oneapi_gen:
+ res = IntelCompilersToolchain.is_dep_in_toolchain_module(self, *args, **kwargs)
+ else:
+ res = IccIfort.is_dep_in_toolchain_module(self, *args, **kwargs)
+
+ return res
+
+ def _set_compiler_vars(self):
+ """Intel compilers-specific adjustments after setting compiler variables."""
+ if self.oneapi_gen:
+ IntelCompilersToolchain._set_compiler_vars(self)
+ else:
+ IccIfort._set_compiler_vars(self)
+
+ def set_variables(self):
+ """Intel compilers-specific adjustments after setting compiler variables."""
+ if self.oneapi_gen:
+ IntelCompilersToolchain.set_variables(self)
+ else:
+ IccIfort.set_variables(self)
diff --git a/Golden_Repo/g/GCC/GCC-10.3.0.eb b/Golden_Repo/g/GCC/GCC-10.3.0.eb
index bcd3c4347..8b86ad75f 100644
--- a/Golden_Repo/g/GCC/GCC-10.3.0.eb
+++ b/Golden_Repo/g/GCC/GCC-10.3.0.eb
@@ -22,11 +22,5 @@ dependencies = [
altroot = 'GCCcore'
altversion = 'GCCcore'
-# We use a HMNS, so let's enforce a unique compiler
-modluafooter = 'family("compiler")'
-
-# Always do a recursive unload on compilers
-recursive_module_unload = True
-
# 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/g/gpsmkl/gpsmkl-2021.eb b/Golden_Repo/g/gpsmkl/gpsmkl-2021.eb
new file mode 100644
index 000000000..fc53914f1
--- /dev/null
+++ b/Golden_Repo/g/gpsmkl/gpsmkl-2021.eb
@@ -0,0 +1,25 @@
+easyblock = "Toolchain"
+
+name = 'gpsmkl'
+version = '2021'
+
+homepage = '(none)'
+description = 'GCC and GFortran based compiler toolchain, ParaStation MPICH variant for MPI support and MKL'
+
+site_contacts = 'a.strube@fz-juelich.de'
+
+toolchain = SYSTEM
+
+local_compiler = ('GCC', '10.3.0')
+
+# toolchain used to build dependencies
+local_comp_mpi_tc = ('gpsmpi', version)
+
+# compiler toolchain dependencies
+dependencies = [
+ local_compiler,
+ ('psmpi', '5.4.9-1', '', local_compiler), # part of gpsmpi toolchain
+ ('imkl', '2021.2.0', '', local_comp_mpi_tc),
+]
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/g/gpsmpi/gpsmpi-2021.eb b/Golden_Repo/g/gpsmpi/gpsmpi-2021.eb
new file mode 100644
index 000000000..c350ae4fd
--- /dev/null
+++ b/Golden_Repo/g/gpsmpi/gpsmpi-2021.eb
@@ -0,0 +1,20 @@
+easyblock = 'Toolchain'
+
+name = 'gpsmpi'
+version = '2021'
+
+homepage = '(none)'
+description = 'GCC and GFortran based compiler toolchain, including Parastation MPICH2 for MPI support.'
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+local_compiler = ('GCC', '10.3.0')
+
+dependencies = [
+ local_compiler,
+ ('psmpi', '5.4.9-1', '', local_compiler),
+]
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/i/iimpi/iimpi-2021.eb b/Golden_Repo/i/iimpi/iimpi-2021.eb
new file mode 100644
index 000000000..63adcbca4
--- /dev/null
+++ b/Golden_Repo/i/iimpi/iimpi-2021.eb
@@ -0,0 +1,20 @@
+easyblock = "Toolchain"
+
+name = 'iimpi'
+version = '2021'
+
+homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/'
+description = 'Intel C/C++ and Fortran compilers, alongside Intel MPI.'
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+local_compver = '2021.2.0'
+local_gccsuffix = '-GCC-10.3.0'
+dependencies = [
+ ('intel-compilers', '%s%s' % (local_compver, local_gccsuffix)),
+ ('impi', '2021.2.0', '', ('intel-compilers', '%s%s' % (local_compver, local_gccsuffix))),
+]
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/i/imkl/imkl-2020.4.304-ipsmpi-2020.eb b/Golden_Repo/i/imkl/imkl-2020.4.304-ipsmpi-2020.eb
index 6a4b54d86..f7ae5371a 100644
--- a/Golden_Repo/i/imkl/imkl-2020.4.304-ipsmpi-2020.eb
+++ b/Golden_Repo/i/imkl/imkl-2020.4.304-ipsmpi-2020.eb
@@ -11,7 +11,7 @@ description = """Intel Math Kernel Library is a library of highly optimized,
site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
-toolchain = {'version': '2020', 'name': 'iimpi'}
+toolchain = {'version': '2020', 'name': 'ipsmpi'}
source_urls = [
'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
diff --git a/Golden_Repo/i/imkl/imkl-2021.2.0-gompi-2021.eb b/Golden_Repo/i/imkl/imkl-2021.2.0-gompi-2021.eb
index 873755856..cadd10d47 100644
--- a/Golden_Repo/i/imkl/imkl-2021.2.0-gompi-2021.eb
+++ b/Golden_Repo/i/imkl/imkl-2021.2.0-gompi-2021.eb
@@ -13,12 +13,24 @@ site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
toolchain = {'version': '2021', 'name': 'gompi'}
-# see https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html
source_urls = [
- 'https://registrationcenter-download.intel.com/akdlm/irc_nas/17757']
-sources = ['l_onemkl_p_%(version)s.296_offline.sh']
-checksums = ['816e9df26ff331d6c0751b86ed5f7d243f9f172e76f14e83b32bf4d1d619dbae']
+ 'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
+sources = ['l_mkl_%(version)s.tgz']
+checksums = ['2314d46536974dbd08f2a4e4f9e9a155dc7e79e2798c74e7ddfaad00a5917ea5']
dontcreateinstalldir = 'True'
+postinstallcmds = [
+ # extract the examples
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+ 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
moduleclass = 'numlib'
diff --git a/Golden_Repo/i/imkl/imkl-2021.2.0-gpsmpi-2021.eb b/Golden_Repo/i/imkl/imkl-2021.2.0-gpsmpi-2021.eb
new file mode 100644
index 000000000..a13daea86
--- /dev/null
+++ b/Golden_Repo/i/imkl/imkl-2021.2.0-gpsmpi-2021.eb
@@ -0,0 +1,36 @@
+name = 'imkl'
+version = '2021.2.0'
+
+homepage = 'http://software.intel.com/en-us/intel-mkl/'
+description = """Intel Math Kernel Library is a library of highly optimized,
+ extensively threaded math routines for science, engineering, and financial
+ applications that require maximum performance. Core math functions include
+ BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math,
+ and more.
+"""
+
+site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
+
+toolchain = {'version': '2021', 'name': 'gpsmpi'}
+
+source_urls = [
+ 'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
+sources = ['l_mkl_%(version)s.tgz']
+checksums = ['2314d46536974dbd08f2a4e4f9e9a155dc7e79e2798c74e7ddfaad00a5917ea5']
+
+dontcreateinstalldir = 'True'
+
+postinstallcmds = [
+ # extract the examples
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+ 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/i/imkl/imkl-2021.2.0-iimpi-2021.eb b/Golden_Repo/i/imkl/imkl-2021.2.0-iimpi-2021.eb
new file mode 100644
index 000000000..b3d4c5cd5
--- /dev/null
+++ b/Golden_Repo/i/imkl/imkl-2021.2.0-iimpi-2021.eb
@@ -0,0 +1,36 @@
+name = 'imkl'
+version = '2021.2.0'
+
+homepage = 'http://software.intel.com/en-us/intel-mkl/'
+description = """Intel Math Kernel Library is a library of highly optimized,
+ extensively threaded math routines for science, engineering, and financial
+ applications that require maximum performance. Core math functions include
+ BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math,
+ and more.
+"""
+
+site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
+
+toolchain = {'version': '2021', 'name': 'iimpi'}
+
+source_urls = [
+ 'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
+sources = ['l_mkl_%(version)s.tgz']
+checksums = ['2314d46536974dbd08f2a4e4f9e9a155dc7e79e2798c74e7ddfaad00a5917ea5']
+
+dontcreateinstalldir = 'True'
+
+postinstallcmds = [
+ # extract the examples
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+ 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/i/imkl/imkl-2021.2.0-iompi-2021.eb b/Golden_Repo/i/imkl/imkl-2021.2.0-iompi-2021.eb
new file mode 100644
index 000000000..d893cd896
--- /dev/null
+++ b/Golden_Repo/i/imkl/imkl-2021.2.0-iompi-2021.eb
@@ -0,0 +1,36 @@
+name = 'imkl'
+version = '2021.2.0'
+
+homepage = 'http://software.intel.com/en-us/intel-mkl/'
+description = """Intel Math Kernel Library is a library of highly optimized,
+ extensively threaded math routines for science, engineering, and financial
+ applications that require maximum performance. Core math functions include
+ BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math,
+ and more.
+"""
+
+site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
+
+toolchain = {'version': '2021', 'name': 'iompi'}
+
+source_urls = [
+ 'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
+sources = ['l_mkl_%(version)s.tgz']
+checksums = ['2314d46536974dbd08f2a4e4f9e9a155dc7e79e2798c74e7ddfaad00a5917ea5']
+
+dontcreateinstalldir = 'True'
+
+postinstallcmds = [
+ # extract the examples
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+ 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/i/imkl/imkl-2021.2.0-ipsmpi-2021.eb b/Golden_Repo/i/imkl/imkl-2021.2.0-ipsmpi-2021.eb
new file mode 100644
index 000000000..f7ff3b650
--- /dev/null
+++ b/Golden_Repo/i/imkl/imkl-2021.2.0-ipsmpi-2021.eb
@@ -0,0 +1,36 @@
+name = 'imkl'
+version = '2021.2.0'
+
+homepage = 'http://software.intel.com/en-us/intel-mkl/'
+description = """Intel Math Kernel Library is a library of highly optimized,
+ extensively threaded math routines for science, engineering, and financial
+ applications that require maximum performance. Core math functions include
+ BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math,
+ and more.
+"""
+
+site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
+
+toolchain = {'version': '2021', 'name': 'ipsmpi'}
+
+source_urls = [
+ 'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
+sources = ['l_mkl_%(version)s.tgz']
+checksums = ['2314d46536974dbd08f2a4e4f9e9a155dc7e79e2798c74e7ddfaad00a5917ea5']
+
+dontcreateinstalldir = 'True'
+
+postinstallcmds = [
+ # extract the examples
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+ 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/i/imkl/imkl-2021.2.0-npsmpic-2021.eb b/Golden_Repo/i/imkl/imkl-2021.2.0-npsmpic-2021.eb
new file mode 100644
index 000000000..6cc0ce080
--- /dev/null
+++ b/Golden_Repo/i/imkl/imkl-2021.2.0-npsmpic-2021.eb
@@ -0,0 +1,39 @@
+name = 'imkl'
+version = '2021.2.0'
+
+homepage = 'http://software.intel.com/en-us/intel-mkl/'
+description = """Intel Math Kernel Library is a library of highly optimized,
+ extensively threaded math routines for science, engineering, and financial
+ applications that require maximum performance. Core math functions include
+ BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math,
+ and more.
+"""
+
+site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
+
+toolchain = {'version': '2021', 'name': 'npsmpic'}
+
+source_urls = [
+ 'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
+sources = ['l_mkl_%(version)s.tgz']
+checksums = ['2314d46536974dbd08f2a4e4f9e9a155dc7e79e2798c74e7ddfaad00a5917ea5']
+
+dontcreateinstalldir = 'True'
+
+# NVHPC is not yet supported
+interfaces = False
+
+postinstallcmds = [
+ # extract the examples
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+ 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/i/imkl/imkl-2021.2.0.eb b/Golden_Repo/i/imkl/imkl-2021.2.0.eb
index 9fc08343d..4b7465d41 100644
--- a/Golden_Repo/i/imkl/imkl-2021.2.0.eb
+++ b/Golden_Repo/i/imkl/imkl-2021.2.0.eb
@@ -13,11 +13,10 @@ site_contacts = 'Sebastian Achilles <s.achilles@fz-juelich.de>'
toolchain = SYSTEM
-# see https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html
source_urls = [
- 'https://registrationcenter-download.intel.com/akdlm/irc_nas/17757']
-sources = ['l_onemkl_p_%(version)s.296_offline.sh']
-checksums = ['816e9df26ff331d6c0751b86ed5f7d243f9f172e76f14e83b32bf4d1d619dbae']
+ 'https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16917/']
+sources = ['l_mkl_%(version)s.tgz']
+checksums = ['2314d46536974dbd08f2a4e4f9e9a155dc7e79e2798c74e7ddfaad00a5917ea5']
dontcreateinstalldir = 'True'
@@ -25,4 +24,17 @@ interfaces = False
hidden = True
+postinstallcmds = [
+ # extract the examples
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+ 'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+ 'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
moduleclass = 'numlib'
diff --git a/Golden_Repo/i/impi/impi-2021.2.0-intel-compilers-2021.2.0-GCC-10.3.0.eb b/Golden_Repo/i/impi/impi-2021.2.0-intel-compilers-2021.2.0-GCC-10.3.0.eb
new file mode 100644
index 000000000..24291d510
--- /dev/null
+++ b/Golden_Repo/i/impi/impi-2021.2.0-intel-compilers-2021.2.0-GCC-10.3.0.eb
@@ -0,0 +1,20 @@
+name = 'impi'
+version = '2021.2.0'
+
+homepage = 'https://software.intel.com/content/www/us/en/develop/tools/mpi-library.html'
+description = "Intel MPI Library, compatible with MPICH ABI"
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.2.0-GCC-10.3.0'}
+
+# see https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html
+source_urls = ['https://registrationcenter-download.intel.com/akdlm/irc_nas/17729/']
+sources = ['l_mpi_oneapi_p_%(version)s.215_offline.sh']
+checksums = ['d0d4cdd11edaff2e7285e38f537defccff38e37a3067c02f4af43a3629ad4aa3']
+
+dependencies = [('UCX', '1.10.1', '', SYSTEM)]
+
+dontcreateinstalldir = 'True'
+# set up all the mpi commands to work as expected
+set_mpi_wrappers_all = 'True'
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/i/intel-compilers/intel-compilers-2021.2.0-GCC-10.3.0.eb b/Golden_Repo/i/intel-compilers/intel-compilers-2021.2.0-GCC-10.3.0.eb
new file mode 100644
index 000000000..87b136dcc
--- /dev/null
+++ b/Golden_Repo/i/intel-compilers/intel-compilers-2021.2.0-GCC-10.3.0.eb
@@ -0,0 +1,34 @@
+name = 'intel-compilers'
+version = '2021.2.0'
+local_gccver = '10.3.0'
+versionsuffix = f'-GCC-{local_gccver}'
+
+homepage = 'https://software.intel.com/content/www/us/en/develop/tools/oneapi/hpc-toolkit.html'
+description = "Intel C, C++ & Fortran compilers (classic and oneAPI)"
+
+site_contacts = 'sc@fz-juelich.de'
+
+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/17749/'],
+ 'filename': 'l_dpcpp-cpp-compiler_p_%(version)s.118_offline.sh',
+ },
+ {
+ 'source_urls': ['https://registrationcenter-download.intel.com/akdlm/irc_nas/17756/'],
+ 'filename': 'l_fortran-compiler_p_%(version)s.136_offline.sh',
+ },
+]
+checksums = [
+ # l_dpcpp-cpp-compiler_p_2021.2.0.118_offline.sh
+ '5d01cbff1a574c3775510cd97ffddd27fdf56d06a6b0c89a826fb23da4336d59',
+ 'a62e04a80f6d2f05e67cd5acb03fa58857ee22c6bd581ec0651c0ccd5bdec5a1', # l_fortran-compiler_p_2021.2.0.136_offline.sh
+]
+
+dependencies = [
+ ('GCCcore', local_gccver),
+ ('binutils', '2.36.1', '', ('GCCcore', local_gccver)),
+]
+moduleclass = 'compiler'
diff --git a/Golden_Repo/i/intel-para/intel-para-2021.eb b/Golden_Repo/i/intel-para/intel-para-2021.eb
new file mode 100644
index 000000000..371743ce1
--- /dev/null
+++ b/Golden_Repo/i/intel-para/intel-para-2021.eb
@@ -0,0 +1,25 @@
+easyblock = 'Toolchain'
+
+name = 'intel-para'
+version = '2021'
+versionsuffix = ''
+
+local_intelversion = '2021.2.0'
+local_intelsuffix = '-GCC-10.3.0'
+
+homepage = ''
+description = """intel-para provides Intel C/C++ and Fortran compilers, ParaStationMPI & Intel MKL.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+dependencies = [
+ ('intel-compilers', local_intelversion, local_intelsuffix),
+ ('psmpi', '5.4.9-1', versionsuffix, ('intel-compilers', local_intelversion + local_intelsuffix)),
+ ('imkl', local_intelversion, versionsuffix, ('ipsmpi', version)),
+]
+
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/i/intel/intel-2021.eb b/Golden_Repo/i/intel/intel-2021.eb
new file mode 100644
index 000000000..fac4a276a
--- /dev/null
+++ b/Golden_Repo/i/intel/intel-2021.eb
@@ -0,0 +1,22 @@
+easyblock = 'Toolchain'
+
+name = 'intel'
+version = '2021'
+
+homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/'
+description = """Intel Cluster Toolkit Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MPI & Intel MKL.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+local_gcc_comp_ver = '-GCC-10.3.0'
+local_int_ver = '2021.2.0'
+dependencies = [
+ ('intel-compilers', local_int_ver, local_gcc_comp_ver),
+ ('impi', '2021.2.0', '', ('intel-compilers', f'{local_int_ver}{local_gcc_comp_ver}')),
+ ('imkl', local_int_ver, '', ('iimpi', '2021')),
+]
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/i/iompi/iompi-2021.eb b/Golden_Repo/i/iompi/iompi-2021.eb
new file mode 100644
index 000000000..9b7e1d154
--- /dev/null
+++ b/Golden_Repo/i/iompi/iompi-2021.eb
@@ -0,0 +1,21 @@
+easyblock = "Toolchain"
+
+name = 'iompi'
+version = '2021'
+
+homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/'
+description = """Intel C/C++ and Fortran compilers, alongside ParaStationMPI.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+local_compver = '2021.2.0'
+local_gccsuffix = '-GCC-10.3.0'
+dependencies = [
+ ('intel-compilers', '%s%s' % (local_compver, local_gccsuffix)),
+ ('OpenMPI', '4.1.1', '', ('intel-compilers', '%s%s' % (local_compver, local_gccsuffix))),
+]
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/i/ipsmpi/ipsmpi-2021.eb b/Golden_Repo/i/ipsmpi/ipsmpi-2021.eb
new file mode 100644
index 000000000..5ade94c78
--- /dev/null
+++ b/Golden_Repo/i/ipsmpi/ipsmpi-2021.eb
@@ -0,0 +1,20 @@
+easyblock = "Toolchain"
+
+name = 'ipsmpi'
+version = '2021'
+
+homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-compiler/'
+description = 'Intel C/C++ and Fortran compilers, alongside ParaStationMPI.'
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+local_compver = '2021.2.0'
+local_gccsuffix = '-GCC-10.3.0'
+dependencies = [
+ ('intel-compilers', '%s%s' % (local_compver, local_gccsuffix)),
+ ('psmpi', '5.4.9-1', '', ('intel-compilers', '%s%s' % (local_compver, local_gccsuffix))),
+]
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/n/NVHPC/NVHPC-21.4-GCC-10.3.0.eb b/Golden_Repo/n/NVHPC/NVHPC-21.4-GCC-10.3.0.eb
new file mode 100644
index 000000000..adcf1a04b
--- /dev/null
+++ b/Golden_Repo/n/NVHPC/NVHPC-21.4-GCC-10.3.0.eb
@@ -0,0 +1,82 @@
+# For using $SYSTEMNAME to determine compute capability. The local prefix is to appease the checker
+import os as local_os
+
+name = 'NVHPC'
+version = '21.4'
+local_gccver = '10.3.0'
+versionsuffix = f'-GCC-{local_gccver}'
+
+homepage = 'https://developer.nvidia.com/hpc-sdk/'
+description = """C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)"""
+site_contacts = 'a.herten@fz-juelich.de'
+
+toolchain = SYSTEM
+
+# By downloading, you accept the HPC SDK Software License Agreement (https://docs.nvidia.com/hpc-sdk/eula/index.html)
+# accept_eula = True
+source_urls = ['https://developer.download.nvidia.com/hpc-sdk/%(version)s/']
+local_tarball_tmpl = 'nvhpc_2021_%%(version_major)s%%(version_minor)s_Linux_%s_cuda_multi.tar.gz'
+sources = [local_tarball_tmpl % '%(arch)s']
+checksums = [
+ {
+ local_tarball_tmpl % 'x86_64':
+ '391d5604a70f61bdd4ca6a3e4692f6f2391948990c8a35c395b6867341890031',
+ }
+]
+
+dependencies = [
+ ('GCCcore', local_gccver),
+ ('binutils', '2.36.1', '', ('GCCcore', local_gccver)),
+ ('CUDA', '11.3', '', SYSTEM),
+ # This is necessary to avoid cases where just libnuma.so.1 is present in the system and -lnuma fails
+ ('numactl', '2.0.14', '', SYSTEM)
+]
+
+module_add_cuda = False
+cuda_compute_capabilities = {
+ 'juwels': '7.0',
+ 'juwelsbooster': '8.0',
+ 'jurecadc': '8.0',
+ 'jusuf': '7.0',
+ 'hdfml': '7.0'
+}[local_os.environ['SYSTEMNAME']]
+
+# 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_64/20.7/cuda/)
+# for NVHPC 20.7, those are: 11.0, 10.2, 10.1;
+# this version can be tweaked from the EasyBuild command line with
+# --try-amend=default_cuda_version="10.2" (for example)
+default_cuda_version = '11.3'
+
+# 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 CUDAcore as a dependency, for example
+# dependencies = [('CUDAcore', '11.0.2')]
+# 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/npsmpic/npsmpic-2021.eb b/Golden_Repo/n/npsmpic/npsmpic-2021.eb
new file mode 100644
index 000000000..5909d0bec
--- /dev/null
+++ b/Golden_Repo/n/npsmpic/npsmpic-2021.eb
@@ -0,0 +1,21 @@
+easyblock = 'Toolchain'
+
+name = 'npsmpic'
+version = '2021'
+
+homepage = '(none)'
+description = 'NVHPC based compiler toolchain, including Parastation MPICH2 for MPI support.'
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+local_compiler = ('NVHPC', '21.4-GCC-10.3.0')
+
+dependencies = [
+ local_compiler,
+ ('CUDA', '11.3', '', SYSTEM),
+ ('psmpi', '5.4.9-1', '', local_compiler),
+]
+
+moduleclass = 'toolchain'
diff --git a/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb
index e66b2dc0f..01038b7be 100644
--- a/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb
+++ b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb
@@ -9,6 +9,7 @@ description = """The Open MPI Project is an open source MPI-3 implementation."""
site_contacts = 'sc@fz-juelich.de'
toolchain = {'name': 'GCC', 'version': '10.3.0'}
+toolchainopts = {'pic': True}
source_urls = [
'https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
@@ -30,7 +31,7 @@ builddependencies = [
dependencies = [
('zlib', '1.2.11'),
('hwloc', '2.4.1'),
- ('UCX', '1.10.0', '', SYSTEM),
+ ('UCX', '1.10.1', '', SYSTEM),
('CUDA', '11.3', '', SYSTEM),
('libevent', '2.1.12'),
]
@@ -59,13 +60,4 @@ sanity_check_paths = {
'dirs': [],
}
-# Add a family for our naming scheme
-modluafooter = '''
-family("mpi")
-add_property("arch","gpu")
-if not ( isloaded("mpi-settings") ) then
- load("mpi-settings")
-end
-'''
-
moduleclass = 'mpi'
diff --git a/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-NVHPC-21.4-GCC-10.3.0.eb b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-NVHPC-21.4-GCC-10.3.0.eb
new file mode 100644
index 000000000..0b22ac110
--- /dev/null
+++ b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-NVHPC-21.4-GCC-10.3.0.eb
@@ -0,0 +1,63 @@
+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.1'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'NVHPC', 'version': '21.4-GCC-10.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [
+ 'https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['e24f7a778bd11a71ad0c14587a7f5b00e68a71aa5623e2157bafee3d44c07cda']
+
+osdependencies = [
+ # needed for --with-verbs
+ ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+ # needed for --with-pmix
+ ('pmix-devel'),
+]
+
+builddependencies = [
+ ('Autotools', '20200321'),
+ ('pkg-config', '0.29.2'),
+]
+
+dependencies = [
+ ('zlib', '1.2.11'),
+ ('hwloc', '2.4.1'),
+ ('UCX', '1.10.1', '', SYSTEM),
+ ('CUDA', '11.3', '', SYSTEM),
+ ('libevent', '2.1.12'),
+]
+
+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=$EBROOTCUDA '
+configopts += '--with-ime=/opt/ddn/ime '
+configopts += '--with-gpfs '
+
+# to enable SLURM integration (site-specific)
+configopts += '--with-slurm --with-pmix=external --with-libevent=external --with-ompi-pmix-rte'
+
+local_libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+ 'files': ["bin/%s" % local_binfile for local_binfile in ["ompi_info", "opal_wrapper"]] +
+ ["lib/lib%s.%s" % (local_libfile, SHLIB_EXT) for local_libfile in local_libs] +
+ ["include/%s.h" % x for x in ["mpi-ext", "mpif-config",
+ "mpif", "mpi", "mpi_portable_platform"]],
+ 'dirs': [],
+}
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-intel-compilers-2021.2.0-GCC-10.3.0.eb b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-intel-compilers-2021.2.0-GCC-10.3.0.eb
new file mode 100644
index 000000000..13c5bf27a
--- /dev/null
+++ b/Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-intel-compilers-2021.2.0-GCC-10.3.0.eb
@@ -0,0 +1,63 @@
+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.1'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.2.0-GCC-10.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [
+ 'https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['e24f7a778bd11a71ad0c14587a7f5b00e68a71aa5623e2157bafee3d44c07cda']
+
+osdependencies = [
+ # needed for --with-verbs
+ ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+ # needed for --with-pmix
+ ('pmix-devel'),
+]
+
+builddependencies = [
+ ('Autotools', '20200321'),
+ ('pkg-config', '0.29.2'),
+]
+
+dependencies = [
+ ('zlib', '1.2.11'),
+ ('hwloc', '2.4.1'),
+ ('UCX', '1.10.1', '', SYSTEM),
+ ('CUDA', '11.3', '', SYSTEM),
+ ('libevent', '2.1.12'),
+]
+
+configopts = '--enable-shared '
+configopts += '--with-hwloc=$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=$EBROOTCUDA '
+configopts += '--with-ime=/opt/ddn/ime '
+configopts += '--with-gpfs '
+
+# to enable SLURM integration (site-specific)
+configopts += '--with-slurm --with-pmix=external --with-libevent=external --with-ompi-pmix-rte'
+
+local_libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+ 'files': ["bin/%s" % local_binfile for local_binfile in ["ompi_info", "opal_wrapper"]] +
+ ["lib/lib%s.%s" % (local_libfile, SHLIB_EXT) for local_libfile in local_libs] +
+ ["include/%s.h" % x for x in ["mpi-ext", "mpif-config",
+ "mpif", "mpi", "mpi_portable_platform"]],
+ 'dirs': [],
+}
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/pscom/pscom-5.4-default-CUDA-11.3.eb b/Golden_Repo/p/pscom/pscom-5.4-default-CUDA-11.3.eb
new file mode 100644
index 000000000..c211dd677
--- /dev/null
+++ b/Golden_Repo/p/pscom/pscom-5.4-default-CUDA-11.3.eb
@@ -0,0 +1,50 @@
+easyblock = 'ConfigureMake'
+
+name = 'pscom'
+local_cuda_ver = '11.3'
+# Create drop-in replacement version that ensures overriding behaviour
+version = f'5.4-default-CUDA-{local_cuda_ver}'
+local_realversion = '5.4.7-1'
+homepage = 'http://www.par-tec.com'
+description = """ParaStation is a robust and efficient cluster middleware, consisting of a high-performance
+communication layer (MPI) and a sophisticated management layer.
+"""
+
+site_contacts = 'Damian Alvarez <d.alvarez@fz-juelich.de>'
+
+toolchain = SYSTEM
+
+source_urls = ['https://github.com/ParaStation/%(name)s/archive/']
+sources = ['%s.tar.gz' % local_realversion]
+
+builddependencies = [
+ # Fails with binutils 2.34
+ ('binutils', '2.36.1'),
+ ('popt', '1.16'),
+ ('CUDA', local_cuda_ver),
+]
+
+dependencies = [
+ ('UCX', '1.10.1'),
+]
+
+preconfigopts = 'export UCP_LDFLAGS="-L$EBROOTUCX/lib" && '
+preconfigopts += 'export CUDA_LDFLAGS="-L$EBROOTNVIDIA/lib64" &&'
+
+configopts = '--enable-cuda --enable-ucp'
+
+sanity_check_paths = {
+ 'files': [
+ 'include/%(name)s.h',
+ ('lib/libpscom.so', 'lib64/libpscom.so'),
+ ('lib/libpscom4ucp.so', 'lib64/libpscom4ucp.so'),
+ ('lib/libpscom4openib.so', 'lib64/libpscom4openib.so'),
+ ],
+ 'dirs': [],
+}
+
+modextravars = {
+ 'PSCOMVERSION': '%s' % local_realversion,
+}
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb
new file mode 100644
index 000000000..826efad37
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.4.9-1'
+
+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.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'GCC', 'version': '10.3.0'}
+
+sources = ['%(version)s.tar.gz']
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+
+local_cuda_ver = '11.3'
+
+builddependencies = [('CUDA', local_cuda_ver, '', SYSTEM)]
+dependencies = [
+ ('pscom', f'5.4-default-CUDA-{local_cuda_ver}', '', SYSTEM),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.10')
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ 'psmpi-5.4.6-1_ime.patch'
+]
+
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+# We disable gpfs support, since it seems to be problematic under some circumstances. One can disable it by setting
+# ROMIO_FSTYPE_FORCE="ufs:", but then we loose IME support
+mpich_opts = '--enable-static --with-file-system=ime+ufs --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-5.4.9-1-NVHPC-21.4-GCC-10.3.0.eb b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-NVHPC-21.4-GCC-10.3.0.eb
new file mode 100644
index 000000000..ae8e1b502
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-NVHPC-21.4-GCC-10.3.0.eb
@@ -0,0 +1,53 @@
+name = 'psmpi'
+version = '5.4.9-1'
+
+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.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'NVHPC', 'version': '21.4-GCC-10.3.0'}
+
+sources = ['%(version)s.tar.gz']
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+
+local_cuda_ver = '11.3'
+
+builddependencies = [('CUDA', local_cuda_ver, '', SYSTEM)]
+dependencies = [
+ ('pscom', f'5.4-default-CUDA-{local_cuda_ver}', '', SYSTEM),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.10')
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ 'psmpi-5.4.6-1_ime.patch'
+]
+
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+# We disable gpfs support, since it seems to be problematic under some circumstances. One can disable it by setting
+# ROMIO_FSTYPE_FORCE="ufs:", but then we loose IME support
+mpich_opts = '--enable-static --with-file-system=ime+ufs --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
+
+# We need this here since the hook does not consider the compiler toolchain when injecting these vars
+# Add a family for our naming scheme
+modluafooter = '''
+add_property("arch","gpu")
+family("mpi")
+if not ( isloaded("mpi-settings/CUDA") ) then
+ load("mpi-settings/CUDA")
+end
+'''
+
+moduleclass = 'mpi'
diff --git a/Golden_Repo/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb
new file mode 100644
index 000000000..b8184df6b
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb
@@ -0,0 +1,44 @@
+name = 'psmpi'
+version = '5.4.9-1'
+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.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.2.0-GCC-10.3.0'}
+
+sources = ['%(version)s.tar.gz']
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+
+local_cuda_ver = '11.3'
+
+builddependencies = [('CUDA', local_cuda_ver, '', SYSTEM)]
+dependencies = [
+ ('pscom', f'5.4-default-CUDA-{local_cuda_ver}', '', SYSTEM),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.10')
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ 'psmpi-5.4.6-1_ime.patch'
+]
+
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+# We disable gpfs support, since it seems to be problematic under some circumstances. One can disable it by setting
+# ROMIO_FSTYPE_FORCE="ufs:", but then we loose IME support
+mpich_opts = '--enable-static --with-file-system=ime+ufs --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-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb
new file mode 100644
index 000000000..970c784a1
--- /dev/null
+++ b/Golden_Repo/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb
@@ -0,0 +1,43 @@
+name = 'psmpi'
+version = '5.4.9-1'
+
+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.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.2.0-GCC-10.3.0'}
+
+sources = ['%(version)s.tar.gz']
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+
+local_cuda_ver = '11.3'
+
+builddependencies = [('CUDA', local_cuda_ver, '', SYSTEM)]
+dependencies = [
+ ('pscom', f'5.4-default-CUDA-{local_cuda_ver}', '', SYSTEM),
+ # needed due to the inclusion of hwloc
+ ('libxml2', '2.9.10')
+]
+
+patches = [
+ 'psmpi_shebang.patch',
+ 'psmpi-5.4.6-1_ime.patch'
+]
+
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+# We disable gpfs support, since it seems to be problematic under some circumstances. One can disable it by setting
+# ROMIO_FSTYPE_FORCE="ufs:", but then we loose IME support
+mpich_opts = '--enable-static --with-file-system=ime+ufs --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/u/UCX/UCX-1.10.0.eb b/Golden_Repo/u/UCX/UCX-1.10.1.eb
similarity index 95%
rename from Golden_Repo/u/UCX/UCX-1.10.0.eb
rename to Golden_Repo/u/UCX/UCX-1.10.1.eb
index 4e0a6a0c9..a8744ddf6 100644
--- a/Golden_Repo/u/UCX/UCX-1.10.0.eb
+++ b/Golden_Repo/u/UCX/UCX-1.10.1.eb
@@ -1,7 +1,7 @@
easyblock = 'ConfigureMake'
name = 'UCX'
-version = '1.10.0'
+version = '1.10.1'
homepage = 'https://www.openucx.org'
description = """Unified Communication X
@@ -16,7 +16,7 @@ toolchainopts = {'pic': True}
source_urls = ['https://github.com/openucx/ucx/releases/download/v%(version)s']
sources = ['%(namelower)s-%(version)s.tar.gz']
-checksums = ['b885e24b1b94724c03cb213c355381e98df1e2d1fd7f633cf8055b6dd05db92d']
+checksums = ['ae9a108af6842ca135e7ec9b6131469adf9f1e50f899349fafcc69a215368bc9']
builddependencies = [
('binutils', '2.36.1'),
diff --git a/Overlays/jurecabooster_overlay/i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb b/Overlays/jurecabooster_overlay/i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb
new file mode 100644
index 000000000..fba329057
--- /dev/null
+++ b/Overlays/jurecabooster_overlay/i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb
@@ -0,0 +1,18 @@
+name = 'impi'
+version = '2021.2.0'
+
+homepage = 'https://software.intel.com/content/www/us/en/develop/tools/mpi-library.html'
+description = "Intel MPI Library, compatible with MPICH ABI"
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.2.0'}
+
+# see https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html
+source_urls = ['https://registrationcenter-download.intel.com/akdlm/irc_nas/17729/']
+sources = ['l_mpi_oneapi_p_%(version)s.215_offline.sh']
+checksums = ['d0d4cdd11edaff2e7285e38f537defccff38e37a3067c02f4af43a3629ad4aa3']
+
+dontcreateinstalldir = 'True'
+# set up all the mpi commands to work as expected
+set_mpi_wrappers_all = 'True'
+
+moduleclass = 'mpi'
diff --git a/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb b/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb
new file mode 100644
index 000000000..1deb00fb9
--- /dev/null
+++ b/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-GCC-10.3.0.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.4.9-1'
+local_pscom_version = '5.4.7-1_gw'
+
+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.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'GCC', 'version': '10.3.0'}
+
+source_urls = [
+ 'https://github.com/ParaStation/psmpi/archive/',
+ 'https://github.com/ParaStation/pscom/archive/'
+]
+sources = [
+ '%(version)s.tar.gz',
+ 'pscom-%s.tar.bz2' % local_pscom_version
+]
+
+builddependencies = [('popt', '1.16', '', True)]
+
+pscom_allin_path = '%%(builddir)s/pscom-%s ' % local_pscom_version
+pgo = True
+
+patches = [
+ 'psmpi_shebang.patch',
+]
+
+mpich_opts = '--enable-static'
+configopts = '--with-pscom-builtin=psm2'
+
+threaded = False
+
+moduleclass = 'mpi'
diff --git a/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb b/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb
new file mode 100644
index 000000000..d6edb28fc
--- /dev/null
+++ b/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0-mt.eb
@@ -0,0 +1,39 @@
+name = 'psmpi'
+version = '5.4.9-1'
+versionsuffix = '-mt'
+local_pscom_version = '5.4.7-1_gw'
+
+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.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.2.0-GCC-10.3.0'}
+
+source_urls = [
+ 'https://github.com/ParaStation/psmpi/archive/',
+ 'https://github.com/ParaStation/pscom/archive/'
+]
+sources = [
+ '%(version)s.tar.gz',
+ 'pscom-%s.tar.bz2' % local_pscom_version
+]
+
+builddependencies = [('popt', '1.16', '', True)]
+
+pscom_allin_path = '%%(builddir)s/pscom-%s ' % local_pscom_version
+pgo = True
+
+patches = [
+ 'psmpi_shebang.patch',
+]
+
+mpich_opts = '--enable-static'
+configopts = '--with-pscom-builtin=psm2'
+
+threaded = True
+
+moduleclass = 'mpi'
diff --git a/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb b/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb
new file mode 100644
index 000000000..854169875
--- /dev/null
+++ b/Overlays/jurecabooster_overlay/p/psmpi/psmpi-5.4.9-1-intel-compilers-2021.2.0-GCC-10.3.0.eb
@@ -0,0 +1,38 @@
+name = 'psmpi'
+version = '5.4.9-1'
+local_pscom_version = '5.4.7-1_gw'
+
+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.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'intel-compilers', 'version': '2021.2.0-GCC-10.3.0'}
+
+source_urls = [
+ 'https://github.com/ParaStation/psmpi/archive/',
+ 'https://github.com/ParaStation/pscom/archive/'
+]
+sources = [
+ '%(version)s.tar.gz',
+ 'pscom-%s.tar.bz2' % local_pscom_version
+]
+
+builddependencies = [('popt', '1.16', '', True)]
+
+pscom_allin_path = '%%(builddir)s/pscom-%s ' % local_pscom_version
+pgo = True
+
+patches = [
+ 'psmpi_shebang.patch',
+]
+
+mpich_opts = '--enable-static'
+configopts = '--with-pscom-builtin=psm2'
+
+threaded = False
+
+moduleclass = 'mpi'
--
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