{numlib}[intel/2021b] SuiteSparse v5.8.1, PETSc v3.18.4, SLEPc v3.18.2 w/ Python 3.9.6

easybuild/easyconfigs/p/PETSc/PETSc-3.18.4-intel-2021b.eb

@@ -0,0 +1,47 @@
+name = 'PETSc'
+version = '3.18.4'
+
+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': '2021b'}
+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 = [
+    {'petsc-3.18.4.tar.gz': '6173d30637261c5b740c0bea14747759200ca2012c7343139f9216bc296a6394'},
+    {'PETSc_ranlib-fix.patch': '64cf9d5008d5e92117e65bdec5316d991b6a6b8c8ecf7ea46eb790a498266297'},
+]
+
+builddependencies = [('CMake', '3.22.1')]
+
+dependencies = [
+    ('Python', '3.9.6'),
+    ('SciPy-bundle', '2021.10'),
+    ('Boost', '1.77.0'),
+    ('METIS', '5.1.0'),
+    ('SCOTCH', '6.1.2'),
+    ('MUMPS', '5.4.1', '-metis'),
+    ('SuiteSparse', '5.10.1', '-METIS-5.1.0'),
+    ('Hypre', '2.24.0'),
+]
+
+# 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'

easybuild/easyconfigs/s/SLEPc/SLEPc-3.18.2-intel-2021b.eb

@@ -0,0 +1,21 @@
+name = 'SLEPc'
+version = '3.18.2'
+
+homepage = 'https://www.grycap.upv.es/slepc/'
+description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
+ of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
+ either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
+ partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
+
+toolchain = {'name': 'intel', 'version': '2021b'}
+toolchainopts = {'usempi': True, 'openmp': True}
+
+source_urls = ['https://slepc.upv.es/download/distrib']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5bd90a755934e702ab1fdb3320b9fe75ab5fc28c93d364248ea86a372fbe6a62']
+
+dependencies = [('PETSc', '3.18.4')]
+
+petsc_arch = 'installed-arch-linux2-c-opt'
+
+moduleclass = 'numlib'

easybuild/easyconfigs/s/SuiteSparse/SuiteSparse-5.10.1-intel-2021b-METIS-5.1.0.eb

@@ -0,0 +1,32 @@
+name = 'SuiteSparse'
+version = '5.10.1'
+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': '2021b'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/DrTimothyAldenDavis/SuiteSparse/archive']
+sources = ['v%(version)s.tar.gz']
+checksums = ['acb4d1045f48a237e70294b950153e48dce5b5f9ca8190e86c2b8c54ce00a7ee']
+
+builddependencies = [
+    ('CMake', '3.21.1'),
+    ('M4', '1.4.19'),
+]
+
+dependencies = [
+    ('METIS', local_metis_ver),
+    ('MPFR', '4.1.0'),
+]
+
+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 && "
+# disable optimisation report to reduce memory use during compile
+prebuildopts += 'sed -i "s/-qopt-report=5/-qopt-report=0/" GraphBLAS/CMakeLists.txt && '
+
+moduleclass = 'numlib'