new file: m/METIS/METIS-5.1.0-intel-2020a.eb

new file:   m/MUMPS/MUMPS-5.2.1-intel-2020a-metis.eb
	new file:   p/PETSc/PETSc-3.12.4-intel-2020a.eb
	new file:   p/Py/Py-3.8.eb
	new file:   p/Python/Python-3.8.2-GCC-8.3.0-2.32-base.eb
	new file:   s/SCOTCH/SCOTCH-6.0.9-intel-2020a.eb
	new file:   s/SuiteSparse/SuiteSparse-5.6.0-intel-2020a-METIS-5.1.0.eb
	new file:   s/slepc4py/slepc4py-3.12.0-Py-3.7.eb

m/METIS/METIS-5.1.0-intel-2020a.eb

@@ -0,0 +1,25 @@
+name = 'METIS'
+version = '5.1.0'
+
+homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/metis/overview'
+description = """METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes,
+and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the
+multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = [
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis',
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis/OLD',
+]
+
+# We use 32bit for indices and 64bit for content
+patches = ['METIS-5.1.0-use-doubles.patch']
+
+builddependencies = [('CMake', '3.16.2', '', True)]
+
+configopts = ['', 'shared=1']
+
+moduleclass = 'math'

m/MUMPS/MUMPS-5.2.1-intel-2020a-metis.eb

@@ -0,0 +1,33 @@
+# IT4Innovations 2020
+
+name = 'MUMPS'
+version = '5.2.1'
+versionsuffix = '-metis'
+
+homepage = 'http://graal.ens-lyon.fr/MUMPS/'
+description = "A parallel sparse direct solver"
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['http://mumps.enseeiht.fr/']
+sources = ['%(name)s_%(version)s.tar.gz']
+patches = [
+    '%(name)s-%(version)s_shared-pord.patch',    # builds the shared libs of PORD
+    '%(name)s-%(version)s_shared-mumps.patch',   # builds shared libs of MUMPS
+]
+checksums = [
+    'd988fc34dfc8f5eee0533e361052a972aa69cc39ab193e7f987178d24981744a',  # MUMPS_5.2.1.tar.gz
+    'e31019bedcce13acaa1867352edd99e1f67a97bb3fb7b96c7f10459c0fe301fd',  # MUMPS-5.2.1_shared-pord.patch
+    '8973d64f44d509f1f85c6abb8b8ac9c330775f30c712f9a9e974c5541836d841',  # MUMPS-5.2.1_shared-mumps.patch
+]
+
+dependencies = [
+    ('SCOTCH', '6.0.9'),
+    ('METIS', '5.1.0'),
+]
+
+parallel = 1
+buildopts = 'all SONAME_VERSION="%(version)s"'
+
+moduleclass = 'math'

p/PETSc/PETSc-3.12.4-intel-2020a.eb

@@ -0,0 +1,46 @@
+# IT4Innovations 2020
+
+name = 'PETSc'
+version = '3.12.4'
+
+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': '2020a'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+# https:// does not work here
+source_urls = [
+    'http://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 = [
+    '56a941130da93bbacb3cfa74dcacea1e3cd8e36a0341f9ced09977b1457084c3',  # petsc-3.12.4.tar.gz
+    '64cf9d5008d5e92117e65bdec5316d991b6a6b8c8ecf7ea46eb790a498266297',  # PETSc_ranlib-fix.patch
+]
+
+builddependencies = [('CMake', '3.16.2')]
+
+dependencies = [
+    ('Boost', '1.72.0'),
+    ('METIS', '5.1.0'),
+    ('SCOTCH', '6.0.9'),
+    ('MUMPS', '5.2.1', '-metis'),
+    ('SuiteSparse', '5.6.0', '-METIS-5.1.0'),
+    ('Hypre', '2.18.2'),
+]
+
+configopts = '--LIBS="$LIBS -lrt" '
+
+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'

p/Py/Py-3.8.eb

@@ -0,0 +1,18 @@
+# IT4Innovations 2020
+
+easyblock = "Toolchain"
+
+name = 'Py'
+version = '3.8'
+
+homepage = 'https://www.python.org'
+description = """Python 3.7 toolchain"""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('Python', '3.8.2', '-base', ('GCC', '8.3.0-2.32')),
+    ('GCC', '8.3.0-2.32'),
+]
+
+moduleclass = 'toolchain'

p/Python/Python-3.8.2-GCC-8.3.0-2.32-base.eb

@@ -0,0 +1,62 @@
+# IT4Innovations 2020
+
+name = 'Python'
+version = '3.8.2'
+versionsuffix = '-base'
+
+homepage = 'http://python.org/'
+description = """Python is a programming language that lets you work more quickly and integrate your systems
+ more effectively."""
+
+toolchain = {'name': 'GCC', 'version': '8.3.0-2.32'}
+toolchainopts = {'pic': True}
+
+source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/']
+sources = [SOURCE_TGZ]
+
+dependencies = [
+    ('bzip2', '1.0.8', '', True),  # required for bz2 package in Python stdlib
+    ('zlib', '1.2.11', '', True),
+    ('libreadline', '8.0', '', True),
+    ('ncurses', '6.1', '', True),
+    ('SQLite', '3.30.1', '', True),
+    ('XZ', '5.2.4', '', True),
+    ('GMP', '6.1.2', '', True),  # required for pycrypto
+    ('libffi', '3.3', '', True),  # required for cryptography
+    # OS dependency should be preferred if the os version is more recent then this version,
+    # it's nice to have an up to date openssl for security reasons
+    # Python 3.7 requires OpenSSL >= 1.0.2, uncomment line below if OS version is too old (e.g. CentOS 6)
+    # ('OpenSSL', '1.1.0j'),
+]
+
+#osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
+
+# symlink 'pip' command to 'pip3' that is included with Python installation
+# required so we can update pip to version included in extensions, using pip
+installopts = " && ln -s %(installdir)s/bin/pip3 %(installdir)s/bin/pip"
+
+#exts_default_options = {
+#    'download_dep_fail': True,
+#    'use_pip': True,
+#}
+
+# order is important!
+# package versions updated Mar 15th 2019
+exts_list = [
+    ('pip', '20.0.2', {
+        'source_urls': ['https://pypi.python.org/packages/source/p/pip/'],
+        # don't use --ignore-installed, i.e. let pip remove older pip version included with Python
+        'pip_ignore_installed': False,
+    }),
+    ('setuptools', '46.0.0', {
+        'source_urls': ['https://pypi.python.org/packages/source/s/setuptools'],
+        'source_tmpl': '%(name)s-%(version)s.zip',
+        # don't use --ignore-installed, i.e. let pip remove older setuptools version included with Python
+        'pip_ignore_installed': False,
+    }),
+    ('wheel', '0.34.2', {
+        'source_urls': ['https://pypi.python.org/packages/source/w/wheel'],
+    })
+]
+
+moduleclass = 'lang'

s/SCOTCH/SCOTCH-6.0.9-intel-2020a.eb

@@ -0,0 +1,20 @@
+# IT4Innovations 2020
+
+name = 'SCOTCH'
+version = '6.0.9'
+
+homepage = 'http://gforge.inria.fr/projects/scotch/'
+description = """Software package and libraries for sequential and parallel graph partitioning,
+static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://gforge.inria.fr/frs/download.php/file/38187/']
+sources = ['%(namelower)s_%(version)s.tar.gz']
+
+dependencies = [
+    ('zlib', '1.2.11'),
+]
+
+moduleclass = 'math'

s/SuiteSparse/SuiteSparse-5.6.0-intel-2020a-METIS-5.1.0.eb

@@ -0,0 +1,27 @@
+# IT4Innovations 2020
+
+name = 'SuiteSparse'
+version = '5.6.0'
+local_metis_ver = '5.1.0'
+versionsuffix = '-METIS-%s' % local_metis_ver
+
+homepage = 'https://faculty.cse.tamu.edu/davis/suitesparse.html'
+description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/DrTimothyAldenDavis/SuiteSparse/archive']
+sources = ['v%(version)s.tar.gz']
+checksums = ['76d34d9f6dafc592b69af14f58c1dc59e24853dcd7c2e8f4c98ffa223f6a1adb']
+
+builddependencies = [('CMake', '3.16.2', '', True)]
+
+dependencies = [('METIS', local_metis_ver)]
+
+parallel = 1
+
+# make sure that bin/demo can find libsuitesparseconfig.so.5 during build
+prebuildopts = "export LD_LIBRARY_PATH=%(builddir)s/SuiteSparse-%(version)s/lib:$LD_LIBRARY_PATH && "
+
+moduleclass = 'numlib'

s/slepc4py/slepc4py-3.12.0-Py-3.7.eb

@@ -0,0 +1,24 @@
+# IT4Innovations 2020
+
+easyblock = "PythonPackage"
+name = 'slepc4py'
+version = '3.12.0'
+
+homepage = 'https://pypi.python.org/pypi/slepc4py'
+description = 'Python bindings for SLEPc.'
+
+toolchain = {'name': 'Py', 'version': '3.7'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+
+#dependencies = [
+#    ('MarkupSafe', '1.0'),
+#]
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib/python3.7/site-packages/%(name)s-%(version)s-py3.7.egg'],
+}
+
+moduleclass = 'python'