Merge pull request #19686 from furstj/20240123121752_new_pr_PETSc3203

{numlib}[foss/2023a] PETSc v3.20.3, SuperLU_DIST v8.1.2, ParMETIS v4.0.3

easybuild/easyconfigs/p/PETSc/PETSc-3.20.3-foss-2023a.eb

@@ -0,0 +1,45 @@
+##
+# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+# Author:    Jasper Grimm (UoY)
+##
+name = 'PETSc'
+version = '3.20.3'
+
+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': 'foss', 'version': '2023a'}
+toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
+
+source_urls = [
+    'https://web.cels.anl.gov/projects/petsc/download/release-snapshots',
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['75a94fb44df0512f51ad093fa784e56b61f51b7ead5956fbe49185c203f8c245']
+
+builddependencies = [('CMake', '3.26.3')]
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('Boost', '1.82.0'),
+    ('METIS', '5.1.0'),
+    ('SCOTCH', '7.0.3'),
+    ('MUMPS', '5.6.1', '-metis'),
+    ('SuiteSparse', '7.1.0'),
+    ('Hypre', '2.29.0'),
+    ('ParMETIS', '4.0.3'),
+    ('SuperLU_DIST', '8.1.2'),
+    ('mpi4py', '3.1.4'),
+]
+
+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'

easybuild/easyconfigs/p/ParMETIS/ParMETIS-4.0.3-gompi-2023a.eb

@@ -0,0 +1,29 @@
+##
+# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+name = 'ParMETIS'
+version = '4.0.3'
+
+homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/parmetis/overview'
+description = """ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning
+ unstructured graphs, meshes, and for computing fill-reducing orderings of sparse matrices. ParMETIS extends the
+ functionality provided by METIS and includes routines that are especially suited for parallel AMR computations and
+ large scale numerical simulations. The algorithms implemented in ParMETIS are based on the parallel multilevel k-way
+ graph-partitioning, adaptive repartitioning, and parallel multi-constrained partitioning schemes."""
+
+toolchain = {'name': 'gompi', 'version': '2023a'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = [
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis',
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis/OLD',
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['f2d9a231b7cf97f1fee6e8c9663113ebf6c240d407d3c118c55b3633d6be6e5f']
+
+builddependencies = [('CMake', '3.26.3')]
+
+# Build static and shared libraries
+configopts = ['', '-DSHARED=1']
+
+moduleclass = 'math'

easybuild/easyconfigs/s/SuperLU_DIST/SuperLU_DIST-8.1.2-foss-2023a.eb

@@ -0,0 +1,40 @@
+easyblock = "EB_SuperLU"
+
+name = 'SuperLU_DIST'
+version = '8.1.2'
+
+homepage = 'https://crd-legacy.lbl.gov/~xiaoye/SuperLU/'
+description = """SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems
+ of linear equations on high performance machines."""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+toolchainopts = {'pic': True, 'openmp': True}
+
+github_account = 'xiaoyeli'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = ["v%(version)s.tar.gz"]
+checksums = ['7b16c442bb01ea8b298c0aab9a2584aa4615d09786aac968cb2f3118c058206b']
+
+builddependencies = [('CMake', '3.26.3')]
+
+dependencies = [
+    ('ParMETIS', '4.0.3'),
+]
+
+configopts = '-DTPL_PARMETIS_INCLUDE_DIRS="${EBROOTPARMETIS}/include" '
+configopts += '-DTPL_PARMETIS_LIBRARIES="${EBROOTPARMETIS}/lib/libparmetis.a;${EBROOTPARMETIS}/lib/libmetis.a" '
+
+# Some tests run longer than default 1500s timeout on fairly big machine (36 cores).
+# Include only first four tests, which should be fairly small to run
+pretestopts = 'export ARGS="$ARGS --tests-regex pdtest_[21]x1_[13]_2_8_20_SP" && '
+
+postinstallcmds = [
+    "rm %(installdir)s/lib64/libsuperlu.a",  # remove broken symlink to libsuperlu.a
+]
+
+sanity_check_paths = {
+    'files': ['lib64/libsuperlu_dist.a'],
+    'dirs': ['include']
+}
+
+moduleclass = 'numlib'