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60a06b0b40
modified: l/LAMMPS/LAMMPS-2Aug2023_update1-foss-2021b-kokkos.eb new file: l/LAMMPS/LAMMPS-2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1.eb new file: l/LAMMPS/LAMMPS-2Aug2023_update2-foss-2023a-kokkos.eb modified: m/METIS/METIS-5.1.0-intel-2020a.eb modified: p/PETSc/PETSc-3.12.4-intel-2020a.eb modified: s/SCOTCH/SCOTCH-6.0.9-intel-2020a.eb modified: s/SLEPc/SLEPc-3.13.3-intel-2020a.eb new file: y/Yambo/Yambo-5.2.3-intel-2020a-SLEPc.eb
51 lines
1.6 KiB
Plaintext
51 lines
1.6 KiB
Plaintext
# IT4Innovations 2020
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name = 'PETSc'
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version = '3.12.4'
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homepage = 'https://www.mcs.anl.gov/petsc'
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description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
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scalable (parallel) solution of scientific applications modeled by partial differential equations."""
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toolchain = {'name': 'intel', 'version': '2020a'}
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import os
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if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
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toolchainopts = {'pic': True, 'usempi': True, 'optarch': 'march=core-avx2'}
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else:
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toolchainopts = {'pic': True, 'usempi': True}
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# https:// does not work here
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source_urls = [
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'http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/',
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'ftp://ftp.mcs.anl.gov/pub/petsc/release-snapshots/',
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]
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sources = [SOURCELOWER_TAR_GZ]
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patches = [
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'PETSc_ranlib-fix.patch',
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]
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checksums = [
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'56a941130da93bbacb3cfa74dcacea1e3cd8e36a0341f9ced09977b1457084c3', # petsc-3.12.4.tar.gz
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'64cf9d5008d5e92117e65bdec5316d991b6a6b8c8ecf7ea46eb790a498266297', # PETSc_ranlib-fix.patch
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]
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builddependencies = [('CMake', '3.16.4')]
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dependencies = [
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('Boost', '1.72.0'),
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('METIS', '5.1.0'),
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('SCOTCH', '6.0.9'),
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('MUMPS', '5.2.1', '-metis'),
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('SuiteSparse', '5.6.0', '-METIS-5.1.0'),
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('Hypre', '2.18.2'),
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]
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configopts = '--LIBS="$LIBS -lrt" '
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shared_libs = 1
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# only required when building PETSc in a SLURM job environment
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# configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
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# prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
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moduleclass = 'numlib'
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