Merge branch '2020' of...

Merge branch '2020' of https://gitlab.version.fz-juelich.de/hps-public/easybuild-repository into herten1_nvhpc21

Golden_Repo/hidden_deps.txt

@@ -91,8 +91,11 @@ JupyterKernel-JavaScript
 JupyterKernel-Julia
 JupyterKernel-Octave
 JupyterKernel-PyParaView
+JupyterKernel-PyQuantum
+JupyterKernel-PyDeepLearning
 JupyterKernel-R
 JupyterKernel-Ruby
+JupyterProxy-Matlab
 JupyterProxy-XpraHTML5
 kbproto
 LAME

Golden_Repo/juwels_overlay/o/OpenMPI/OpenMPI-4.1.0rc1-GCC-9.3.0.eb

+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.0rc1'
+
+homepage = 'http://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'GCC', 'version': '9.3.0'}
+
+source_urls = ['http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_GZ]
+
+osdependencies = [
+    # needed for --with-verbs
+    ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+    # needed for --with-pmix
+    ('pmix-devel'),
+]
+
+builddependencies = [
+    ('Autotools', '20200321'),
+]
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('hwloc', '2.2.0'),
+    ('UCX', '1.9.0', '', SYSTEM),
+    ('CUDA', '11.0', '', 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': [],
+}
+
+# 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'

Golden_Repo/juwels_overlay/o/OpenMPI/OpenMPI-4.1.0rc1-iccifort-2020.2.254-GCC-9.3.0.eb

+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.0rc1'
+
+homepage = 'http://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'iccifort', 'version': '2020.2.254-GCC-9.3.0'}
+
+source_urls = ['http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_GZ]
+
+osdependencies = [
+    # needed for --with-verbs
+    ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+    # needed for --with-pmix
+    ('pmix-devel'),
+]
+
+builddependencies = [
+    ('Autotools', '20200321'),
+]
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('hwloc', '2.2.0'),
+    ('UCX', '1.9.0', '', SYSTEM),
+    ('CUDA', '11.0', '', 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': [],
+}
+
+# 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'

Golden_Repo/juwels_overlay/p/pscom/pscom-5.4-default.eb

+easyblock = 'CMakeMake'
+
+name = 'pscom'
+# Create drop-in replacement version that ensures over-riding behaviour
+version = "5.4-default"
+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 = ['%%(name)s-%s.tar.bz2' % local_realversion]
+
+builddependencies = [
+    ('popt', '1.16'),
+    ('CUDA', '11.0'),
+    ('CMake', '3.18.0'),
+]
+
+dependencies = [
+    ('UCX', '1.9.0'),
+]
+
+build_type = 'RelWithDebInfo'
+
+preconfigopts = 'export UCP_LDFLAGS="-L$EBROOTUCX/lib" && '
+preconfigopts += 'export CUDA_LDFLAGS="-L$EBROOTNVIDIA/lib64" &&'
+
+configopts = '-DCUDA_ENABLED=ON'
+
+sanity_check_paths = {
+    'files': [
+        'include/%(name)s.h',
+        ('lib/libpscom.so', 'lib64/libpscom.so'),
+        ('lib/libpscom4ucp.so', 'lib64/libpscom4ucp.so'),
+        ('lib/libpscom4openib.so', 'lib64/libpscom4openib.so'),
+    ],
+    'dirs': [],
+}
+
+modextravars = {
+    'PSCOMVERSION': '%s' % local_realversion,
+}
+
+moduleclass = 'tools'

Golden_Repo/juwelsbooster_overlay/o/OpenMPI/OpenMPI-4.1.0rc1-GCC-9.3.0.eb

+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.0rc1'
+
+homepage = 'http://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'GCC', 'version': '9.3.0'}
+
+source_urls = ['http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_GZ]
+
+osdependencies = [
+    # needed for --with-verbs
+    ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+    # needed for --with-pmix
+    ('pmix-devel'),
+]
+
+builddependencies = [
+    ('Autotools', '20200321'),
+]
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('hwloc', '2.2.0'),
+    ('UCX', '1.9.0', '', SYSTEM),
+    ('CUDA', '11.0', '', 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': [],
+}
+
+# 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'

Golden_Repo/juwelsbooster_overlay/p/pscom/pscom-5.4-default.eb

+easyblock = 'CMakeMake'
+
+name = 'pscom'
+# Create drop-in replacement version that ensures over-riding behaviour
+version = "5.4-default"
+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 = ['%%(name)s-%s.tar.bz2' % local_realversion]
+
+builddependencies = [
+    ('popt', '1.16'),
+    ('CUDA', '11.0'),
+    ('CMake', '3.18.0'),
+]
+
+dependencies = [
+    ('UCX', '1.9.0'),
+]
+
+build_type = 'RelWithDebInfo'
+
+preconfigopts = 'export UCP_LDFLAGS="-L$EBROOTUCX/lib" && '
+preconfigopts += 'export CUDA_LDFLAGS="-L$EBROOTNVIDIA/lib64" &&'
+
+configopts = '-DCUDA_ENABLED=ON'
+
+sanity_check_paths = {
+    'files': [
+        'include/%(name)s.h',
+        ('lib/libpscom.so', 'lib64/libpscom.so'),
+        ('lib/libpscom4ucp.so', 'lib64/libpscom4ucp.so'),
+        ('lib/libpscom4openib.so', 'lib64/libpscom4openib.so'),
+    ],
+    'dirs': [],
+}
+
+modextravars = {
+    'PSCOMVERSION': '%s' % local_realversion,
+}
+
+moduleclass = 'tools'