new file: a/AOCC/AOCC-2.1.0-GCCcore-10.2.0.eb

new file:   a/AOCL/AOCL-2.1-GCCcore-10.2.0.eb
	new file:   a/AOCL/AOCL-2.2-4-GCCcore-10.2.0.eb
	new file:   g/glibc/glibc-2.30-GCCcore-10.2.0.eb
	new file:   m/make/make-4.2.1-GCCcore-10.2.0.eb
	new file:   o/OpenCoarrays/OpenCoarrays-2.9.2-gompi-2020b.eb
	new file:   o/OpenMPI/OpenMPI-4.1.1-AOCC-3.1.0.eb
	new file:   p/PETSc/PETSc-3.14.4-intel-2020b.eb
	new file:   r/R/R-4.1.0-foss-2021a.eb

a/AOCC/AOCC-2.1.0-GCCcore-10.2.0.eb

@@ -0,0 +1,27 @@
+#
+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+#
+# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+# reciPY derived from preexisting reciPy for GCCcore-9.3.0.
+#
+name = 'AOCC'
+version = '2.1.0'
+
+homepage = 'https://developer.amd.com/amd-aocc/'
+description = "AMD Optimized C/C++ & Fortran compilers (AOCC) based on LLVM 11.0"
+
+# Clang also depends on libstdc++ during runtime, but this dependency is
+# already specified as the toolchain.
+toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
+
+source_urls = ['http://developer.amd.com/wordpress/media/files/']
+sources = ['aocc-compiler-%(version)s.tar']
+
+dependencies = [
+    ('binutils', '2.35'),
+    ('ncurses', '6.2'),
+    ('zlib', '1.2.11'),
+    ('libxml2', '2.9.10'),
+]
+
+moduleclass = 'compiler'

a/AOCL/AOCL-2.1-GCCcore-10.2.0.eb

@@ -0,0 +1,25 @@
+# IT4Innovations
+# LK 2021
+
+name = 'AOCL'
+version = '2.1'
+
+homepage = 'https://developer.amd.com/amd-aocc/'
+description = """AMD provides a free set of thoroughly optimized and threaded math routines for HPC,
+ scientific, engineering and related compute-intensive applications. ACML is ideal for weather modeling,
+ computational fluid dynamics, financial analysis, oil and gas applications and more. """
+
+toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
+
+source_urls = ['http://developer.amd.com/wordpress/media/files/']
+sources = ['aocl-linux-aocc-%(version)s.tar.gz']
+
+dependencies = [
+    ('binutils', '2.35'),
+    ('ncurses', '6.2'),
+    ('zlib', '1.2.11'),
+    ('libxml2', '2.9.10'),
+    ('AOCC', '2.1.0'),
+]
+
+moduleclass = 'numlib'

a/AOCL/AOCL-2.2-4-GCCcore-10.2.0.eb

@@ -0,0 +1,25 @@
+# IT4Innovations
+# LK 2021
+
+name = 'AOCL'
+version = '2.2-4'
+
+homepage = 'https://developer.amd.com/amd-aocc/'
+description = """AMD provides a free set of thoroughly optimized and threaded math routines for HPC,
+ scientific, engineering and related compute-intensive applications. ACML is ideal for weather modeling,
+ computational fluid dynamics, financial analysis, oil and gas applications and more. """
+
+toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
+
+source_urls = ['http://developer.amd.com/wordpress/media/files/']
+sources = ['aocl-linux-aocc-%(version)s.tar.gz']
+
+dependencies = [
+    ('binutils', '2.35'),
+    ('ncurses', '6.2'),
+    ('zlib', '1.2.11'),
+    ('libxml2', '2.9.10'),
+    ('AOCC', '3.1.0'),
+]
+
+moduleclass = 'numlib'

g/glibc/glibc-2.30-GCCcore-10.2.0.eb

@@ -0,0 +1,37 @@
+# IT4Innovations 
+# LK 2021
+
+easyblock = 'ConfigureMake'
+
+name = 'glibc'
+version = '2.30'
+
+homepags = 'https://www.gnu.org/software/libc/'
+description = """The GNU C Library project provides the core libraries for the GNU system and GNU/Linux systems,
+ as well as many other systems that use Linux as the kernel."""
+
+toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
+
+source_urls = ['https://ftp.gnu.org/gnu/glibc/']
+sources = ['glibc-%(version)s.tar.xz']
+checksums = ['e2c4114e569afbe7edbc29131a43be833850ab9a459d81beb2588016d2bbb8af']
+
+builddependencies = [
+    ('binutils', '2.35'),
+    ('make', '4.2.1'),
+    ('texinfo', '6.7'),
+    ('Bison', '3.7.1'),
+    ('Python', '3.8.6'),
+]
+
+preconfigopts = 'mkdir obj && cd obj && CC="$CC -fuse-ld=bfd --disable-werror" '
+configure_cmd_prefix = '../'
+prebuildopts = "cd obj && "
+preinstallopts = prebuildopts
+
+sanity_check_paths = {
+    'files': ['bin/ldd', 'lib/libc.a', 'lib/libc.%s' % SHLIB_EXT],
+    'dirs': ['etc', 'libexec', 'include', 'sbin', 'share'],
+}
+
+moduleclass = 'lib'

m/make/make-4.2.1-GCCcore-10.2.0.eb

@@ -0,0 +1,41 @@
+# IT4Innovations 
+# LK 2021
+
+easyblock = 'ConfigureMake'
+
+name = 'make'
+version = '4.2.1'
+
+homepage = 'https://www.gnu.org/software/make/make.html'
+description = "GNU version of make utility"
+
+toolchain = {'name': 'GCCcore', 'version': '10.2.0'}
+
+source_urls = [GNU_SOURCE]
+sources = [SOURCE_TAR_BZ2]
+patches = ['%(name)s-%(version)s_RHEL8.patch']
+checksums = [
+    'd6e262bf3601b42d2b1e4ef8310029e1dcf20083c5446b4b7aa67081fdffc589',  # make-4.2.1.tar.bz2
+    'ca9daea8cfdb7de55c5a973e283a5aca35fb11d9eb37cd3bd25f95557f2e6479',  # make-4.2.1_RHEL8.patch
+]
+
+builddependencies = [
+    # needs specifically aclocal 1.15
+    ('Automake', '1.16.2'),
+    ('binutils', '2.35'),
+    ('pkg-config', '0.29.2'),
+]
+
+postinstallcmds = ["cd %(installdir)s/bin && ln -s make gmake"]
+
+sanity_check_paths = {
+    'files': ['bin/gmake', 'bin/make'],
+    'dirs': []
+}
+
+sanity_check_commands = [
+    "gmake --help",
+    "make --help",
+]
+
+moduleclass = 'devel'

o/OpenCoarrays/OpenCoarrays-2.9.2-gompi-2020b.eb

@@ -0,0 +1,36 @@
+# IT4Innovations
+# LK 2021
+
+easyblock = 'CMakeMake'
+
+name = 'OpenCoarrays'
+version = '2.9.2'
+
+homepage = 'https://github.com/sourceryinstitute/opencoarrays'
+description = """OpenCoarrays is an open-source software project that supports
+the coarray Fortran (CAF) parallel programming features of the Fortran 2008
+standard and several features proposed for Fortran 2015 in the draft Technical
+Specification TS 18508 Additional Parallel Features in Fortran."""
+
+toolchain = {'name': 'gompi', 'version': '2020b'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/sourceryinstitute/opencoarrays/releases/download/%(version)s']
+sources = [SOURCE_TAR_GZ]
+patches = ['OpenCoarrays-2.2.0-cafrun-OpenMPI-mpiexec.patch']
+checksums = [
+    '6c200ca49808c75b0a2dfa984304643613b6bc77cc0044bee093f9afe03698f7',  # OpenCoarrays-2.9.2.tar.gz
+    # OpenCoarrays-2.2.0-cafrun-OpenMPI-mpiexec.patch
+    '5d410cc78c80dfa54237f874a0627260ad0b4b2f272d8f0f9ce317375bcc796f',
+]
+
+separate_build_dir = True
+
+builddependencies = [('CMake', '3.18.4')]
+
+sanity_check_paths = {
+    'files': ['bin/caf', 'bin/cafrun', 'include/opencoarrays.mod', ('lib/libcaf_mpi.a', 'lib64/libcaf_mpi.a')],
+    'dirs': [],
+}
+
+moduleclass = 'mpi'

o/OpenMPI/OpenMPI-4.1.1-AOCC-3.1.0.eb

@@ -0,0 +1,65 @@
+# IT4Innovations 2021
+# LK
+
+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.1'
+
+homepage = 'http://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-2 implementation."""
+
+toolchain = {'name': 'AOCC', 'version': '3.1.0'}
+
+source_urls = ['https://github.com/open-mpi/ompi/archive/refs/tags/']
+sources = ['v%(version)s.tar.gz']
+
+dependencies = [
+    ('hwloc', '2.2.0'),
+    ('UCX', '1.9.0',),
+]
+
+preconfigopts = './autogen.pl && '
+
+configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs '
+configopts += '--enable-mpirun-prefix-by-default '
+configopts += '--with-hwloc=$EBROOTHWLOC '  # hwloc support
+configopts += '--with-tm=/opt/pbs '  # Enable PBS
+configopts += '--enable-mpi-cxx '  # Enable building the C++ MPI bindings
+configopts += '--with-ucx=$EBROOTUCX '
+
+osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')]
+
+postinstallcmds = [
+    'echo "# By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default." >> %(installdir)s/etc/openmpi-mca-params.conf',
+    'echo "btl_openib_allow_ib = true" >> %(installdir)s/etc/openmpi-mca-params.conf',
+]
+
+libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+    'files': [
+        "bin/%s" %
+        binfile for binfile in [
+            "ompi_info", "opal_wrapper", "orterun"]] + [
+                "lib/lib%s.%s" %
+                (libfile, SHLIB_EXT) for libfile in libs] + [
+                    "include/%s.h" %
+                    x for x in [
+                        "mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], }
+
+import os
+if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
+                'OMPI_MCA_btl_tcp_if_include': '10.33.4.0/24',
+                'OMPI_MCA_orte_base_help_aggregate': '0',
+   }
+elif os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
+                'OMPI_MCA_orte_base_help_aggregate': '0',
+   }
+else:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0',
+                'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8',
+   }
+
+moduleclass = 'mpi'

p/PETSc/PETSc-3.14.4-intel-2020b.eb

@@ -0,0 +1,47 @@
+name = 'PETSc'
+version = '3.14.4'
+
+homepage = 'https://www.mcs.anl.gov/petsc'
+description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
+ scalable (parallel) solution of scientific applications modeled by partial differential equations."""
+
+toolchain = {'name': 'intel', 'version': '2020b'}
+toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
+
+source_urls = [
+    'https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/',
+    'ftp://ftp.mcs.anl.gov/pub/petsc/release-snapshots/',
+]
+sources = [SOURCELOWER_TAR_GZ]
+patches = [
+    'PETSc_ranlib-fix.patch',
+]
+checksums = [
+    '2fb431434b91e054cc3a176f7cb008951088243b5dcb3efc8eec8ce589a2658e',  # petsc-3.14.4.tar.gz
+    '64cf9d5008d5e92117e65bdec5316d991b6a6b8c8ecf7ea46eb790a498266297',  # PETSc_ranlib-fix.patch
+]
+
+builddependencies = [('CMake', '3.18.4')]
+
+dependencies = [
+    ('Python', '3.8.6'),
+    ('SciPy-bundle', '2020.11'),
+    ('Boost', '1.74.0'),
+    ('METIS', '5.1.0'),
+    ('SCOTCH', '6.1.0'),
+    ('MUMPS', '5.3.5', '-metis'),
+    ('SuiteSparse', '5.8.1', '-METIS-5.1.0'),
+    ('Hypre', '2.20.0'),
+]
+
+# enabling --with-mpi4py seems to be totally broken, leads to make errors like:
+# No rule to make target 'mpi4py-build'
+configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+
+shared_libs = 1
+
+# only required when building PETSc in a SLURM job environment
+# configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
+# prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
+
+moduleclass = 'numlib'