Merge pull request #15938 from kosl/20220731235853_new_pr_OpenFOAMv2206

{math,vis}[GCCcore/11.3.0] OpenFOAM v2206, ParaView v5.10.1, CGAL v4.14.3, ... w/ Python 3.10.4

easybuild/easyconfigs/c/CGAL/CGAL-4.14.3-gompi-2022a.eb

@@ -0,0 +1,38 @@
+name = 'CGAL'
+version = '4.14.3'
+
+homepage = 'https://www.cgal.org/'
+description = """The goal of the CGAL Open Source Project is to provide easy access to efficient
+ and reliable geometric algorithms in the form of a C++ library."""
+
+toolchain = {'name': 'gompi', 'version': '2022a'}
+toolchainopts = {'strict': True}
+
+source_urls = ['https://github.com/CGAL/cgal/releases/download/releases%2FCGAL-%(version)s']
+sources = [SOURCE_TAR_XZ]
+checksums = ['5bafe7abe8435beca17a1082062d363368ec1e3f0d6581bb0da8b010fb389fe4']
+
+builddependencies = [
+    ('CMake', '3.23.1'),
+    ('Eigen', '3.4.0'),
+]
+
+dependencies = [
+    ('zlib', '1.2.12'),
+    ('Python', '3.10.4'),
+    ('Boost', '1.79.0'),
+    ('MPFR', '4.1.0'),
+    ('GMP', '6.2.1'),
+    ('Mesa', '22.0.3'),
+    ('libGLU', '9.0.2'),
+    ('Qt5', '5.15.5'),
+]
+
+configopts = '-DOPENGL_INCLUDE_DIR="$EBROOTMESA/include;$EBROOTLIBGLU/include" '
+configopts += '-DOpenGL_GL_PREFERENCE=GLVND '
+configopts += "-DOPENGL_gl_LIBRARY=$EBROOTMESA/lib/libGL.%s " % SHLIB_EXT
+configopts += "-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s " % SHLIB_EXT
+configopts += "-DWITH_ZLIB=ON -DWITH_MPFR=ON -DWITH_OpenGL=ON -DWITH_Eigen3=ON "
+configopts += "-DWITH_GMPXX=ON -DWITH_LAPACK=ON -DWITH_BLAS=ON "
+
+moduleclass = 'numlib'

easybuild/easyconfigs/f/FFmpeg/FFmpeg-4.4.2-GCCcore-11.3.0.eb

@@ -0,0 +1,44 @@
+easyblock = 'ConfigureMake'
+
+name = 'FFmpeg'
+version = '4.4.2'
+
+homepage = 'https://www.ffmpeg.org/'
+description = """A complete, cross-platform solution to record, convert and stream audio and video."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://ffmpeg.org/releases/']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['f98a482520c47507521a907914daa9efbc1384e0591b5afc3da18aa897de2948']
+
+builddependencies = [
+    ('binutils', '2.38'),
+    ('pkgconf', '1.8.0')
+]
+
+dependencies = [
+    ('NASM', '2.15.05'),
+    ('zlib', '1.2.12'),
+    ('bzip2', '1.0.8'),
+    ('x264', '20220620'),
+    ('LAME', '3.100'),
+    ('x265', '3.5'),
+    ('X11', '20220504'),
+    ('freetype', '2.12.1'),
+    ('fontconfig', '2.14.0'),
+    ('FriBidi', '1.0.12'),
+]
+
+configopts = '--enable-pic --enable-shared --enable-gpl --enable-version3 --enable-nonfree --cc="$CC" --cxx="$CXX" '
+configopts += '--enable-libx264 --enable-libx265 --enable-libmp3lame --enable-libfreetype --enable-fontconfig '
+configopts += '--enable-libfribidi'
+
+sanity_check_paths = {
+    'files': ['bin/ff%s' % x for x in ['mpeg', 'probe']] +
+             ['lib/lib%s.%s' % (x, y) for x in ['avdevice', 'avfilter', 'avformat', 'avcodec', 'postproc',
+                                                'swresample', 'swscale', 'avutil'] for y in [SHLIB_EXT, 'a']],
+    'dirs': ['include']
+}
+
+moduleclass = 'vis'

easybuild/easyconfigs/m/METIS/METIS-5.1.0-GCCcore-11.3.0.eb

@@ -0,0 +1,38 @@
+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': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis',
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis/OLD',
+]
+sources = [SOURCELOWER_TAR_GZ]
+
+# We use 32bit for indices and 64bit for content
+patches = ['%(name)s-%(version)s-use-doubles.patch']
+
+checksums = [
+    '76faebe03f6c963127dbb73c13eab58c9a3faeae48779f049066a21c087c5db2',  # source
+    '7e38a3ec8f2b8e3d189239bade5b28c0dd1c564485050109164fa71a6a767c67',  # patch
+]
+
+builddependencies = [
+    ('binutils', '2.38'),
+    ('CMake', '3.23.1'),
+]
+
+configopts = ['', 'shared=1']
+
+moduleclass = 'math'

easybuild/easyconfigs/o/OpenFOAM/OpenFOAM-v2206-foss-2022a.eb

@@ -0,0 +1,45 @@
+name = 'OpenFOAM'
+version = 'v2206'
+
+homepage = 'https://www.openfoam.com/'
+description = """OpenFOAM is a free, open source CFD software package.
+ OpenFOAM has an extensive range of features to solve anything from complex fluid flows
+ involving chemical reactions, turbulence and heat transfer,
+ to solid dynamics and electromagnetics."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+# Users have found that vectorizion caused OpenFOAM to produce some very incorrect results.
+# Disabling vectorize was confirmed to fix the the known issues.
+# With no test suite, sticking to known working toolchain options until proven otherwise.
+toolchainopts = {'cstd': 'c++11', 'vectorize': False}
+
+source_urls = ['https://sourceforge.net/projects/openfoam/files/%(version)s/']
+sources = [SOURCE_TGZ]
+patches = [
+    ('OpenFOAM-v2012-cleanup.patch', 1),
+    'OpenFOAM-v1906-wmake-ompi.patch',
+]
+checksums = [
+    'db95eda4afb97ca870733b2d4201ef539099d0778e3f3eca9a075d4f1a0eea46',  # OpenFOAM-v2206.tgz
+    'cdd2597a1ac1448e9bd33a364a8dfe17f51cc9ab5a8e0ab67cf92bba3ed9da43',  # OpenFOAM-v2012-cleanup.patch
+    '518e27683c5c41400cfbc17b31effa50b31b25916dccbf85b18b0b955f642505',  # OpenFOAM-v1906-wmake-ompi.patch
+]
+
+builddependencies = [
+    ('Bison', '3.8.2'),
+    ('CMake', '3.23.1'),
+    ('flex', '2.6.4'),
+]
+
+dependencies = [
+    ('libreadline', '8.1.2'),
+    ('ncurses', '6.3'),
+    # OpenFOAM requires 64 bit METIS using 32 bit indexes (array indexes)
+    ('METIS', '5.1.0'),
+    ('SCOTCH', '7.0.1'),
+    ('CGAL', '4.14.3'),
+    ('ParaView', '5.10.1', '-mpi'),
+    ('gnuplot', '5.4.4'),
+]
+
+moduleclass = 'cae'

easybuild/easyconfigs/p/ParaView/ParaView-5.10.1-foss-2022a-mpi.eb

@@ -0,0 +1,60 @@
+##
+# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+easyblock = 'CMakeMake'
+
+name = 'ParaView'
+version = '5.10.1'
+versionsuffix = '-mpi'
+
+homepage = 'https://www.paraview.org'
+description = "ParaView is a scientific parallel visualizer."
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+local_download_suffix = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=all&downloadFile='
+source_urls = ['https://www.paraview.org/paraview-downloads/%s' % local_download_suffix]
+sources = ["%(name)s-v%(version)s.tar.gz"]
+checksums = [
+    '59ca46a929a52d8abec107b72e19447cba3d8e64871b6fbc8e99b0f3b167db46',  # ParaView-v5.10.1.tar.gz
+]
+
+builddependencies = [('CMake', '3.23.1')]
+
+dependencies = [
+    ('Python', '3.10.4'),
+    ('SciPy-bundle', '2022.05'),
+    ('XZ', '5.2.5'),
+    ('HDF5', '1.12.2'),
+    ('netCDF', '4.9.0'),
+    ('libGLU', '9.0.2'),
+    ('X11', '20220504'),
+    ('Mesa', '22.0.3'),
+    ('Qt5', '5.15.5'),
+    ('zlib', '1.2.12'),
+    ('FFmpeg', '4.4.2'),
+    ('Szip', '2.1.1'),
+]
+
+# Paraview
+configopts = '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON -DPARAVIEW_BUILD_SHARED_LIBS=ON '
+configopts += '-DPARAVIEW_USE_MPI=ON '
+configopts += '-DPARAVIEW_ENABLE_FFMPEG=ON '
+configopts += '-DPARAVIEW_USE_PYTHON=ON '
+configopts += '-DPython3_ROOT_DIR=$EBROOTPYTHON '
+
+# OpenGL & Mesa
+configopts += '-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s ' % SHLIB_EXT
+configopts += '-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include '
+
+sanity_check_paths = {
+    'files': ['bin/paraview', 'bin/pvpython'],
+    'dirs': ['include/paraview-%(version_major_minor)s', 'lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = ['python -c "import paraview"']
+
+modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
+
+moduleclass = 'vis'

easybuild/easyconfigs/s/SCOTCH/SCOTCH-7.0.1-gompi-2022a.eb

@@ -0,0 +1,24 @@
+name = 'SCOTCH'
+version = '7.0.1'
+
+homepage = 'https://www.labri.fr/perso/pelegrin/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': 'gompi', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://gitlab.inria.fr/scotch/scotch/-/archive/v%(version)s/']
+sources = ['%(namelower)s-v%(version)s.tar.gz']
+checksums = ['0618e9bc33c02172ea7351600fce4fccd32fe00b3359c4aabb5e415f17c06fed']
+
+builddependencies = [
+    ('Bison', '3.8.2'),
+    ('flex', '2.6.4'),
+]
+
+dependencies = [
+    ('zlib', '1.2.12'),
+]
+
+moduleclass = 'math'