[PETSc] [package list]

PETSc/3.19.5-cpeGNU-22.12 (PETSc-3.19.5-cpeGNU-22.12.eb)

Install with the EasyBuild-user module:

eb PETSc-3.19.5-cpeGNU-22.12.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider PETSc/3.19.5-cpeGNU-22.12.

EasyConfig:

# Based on EPCC recipe from https://github.com/ARCHER2-HPC/pe-scripts/blob/modules-2022-12/sh/petsc.sh
easyblock = 'ConfigureMake'

name = 'PETSc'
version = '3.19.5'

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': 'cpeGNU', 'version': '22.12'}
toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}

source_urls = [
    'https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/',
]
sources = [SOURCELOWER_TAR_GZ]

builddependencies = [('buildtools', '%(toolchain_version)s', '', True)]

dependencies = [
    ('cray-python/3.9.13.1', EXTERNAL_MODULE),
    ('cray-hdf5-parallel/1.12.2.1', EXTERNAL_MODULE),
    ('Boost', '1.81.0'),
    ('METIS', '5.1.0'),
    ('ParMETIS','4.0.3'),
    ('SCOTCH', '7.0.3'),
    ('MUMPS', '5.5.1',),
    ('Hypre', '2.26.0'),
    ('SuperLU', '6.0.0', '-OpenMP'),
    ('SuperLU_DIST', '8.1.2', '-OpenMP'),
]

configopts = '--PETSC_ARCH="$CRAY_CPU_TARGET" '
configopts += '--known-has-attribute-aligned=1 '
configopts += '--known-mpi-int64_t=0 '
configopts += '--known-bits-per-byte=8 '
configopts += '--known-64-bit-blas-indices=0 '
configopts += '--known-sdot-returns-double=0 '
configopts += '--known-snrm2-returns-double=0 '
configopts += '--known-memcmp-ok=1 '
configopts += '--known-mpi-c-double-complex=1 '
configopts += '--known-mpi-long-double=1 '
configopts += '--known-mpi-shared-libraries=0 '
configopts += '--known-sizeof-MPI_Comm=4 '
configopts += '--known-sizeof-MPI_Fint=4 '
configopts += '--known-sizeof-char=1 '
configopts += '--known-sizeof-double=8 '
configopts += '--known-sizeof-float=4 '
configopts += '--known-sizeof-int=4 '
configopts += '--known-sizeof-long-long=8 '
configopts += '--known-sizeof-long=8 '
configopts += '--known-sizeof-short=2 '
configopts += '--known-sizeof-size_t=8 '
configopts += '--known-sizeof-void-p=8 '
configopts += '--with-ar=ar '
configopts += '--with-batch=0 '
configopts += '--with-cc=cc '
configopts += '--with-clib-autodetect=0 '
configopts += '--with-cxx=CC '
configopts += '--with-cxxlib-autodetect=0 '
configopts += '--with-fc=ftn '
configopts += '--with-fortran-datatypes=1 '
configopts += '--with-fortran-interfaces=1 '
configopts += '--with-fortran-bindings=1 '
configopts += '--with-fortranlib-autodetect=0 '
configopts += '--with-ranlib=ranlib '
configopts += '--with-scalar-type=real '
configopts += '--with-shared-ld=ar '
configopts += '--with-etags=0 '
configopts += '--with-x=0 '
configopts += '--with-ssl=0 '
configopts += '--with-shared-libraries=1 ' 
configopts += '--with-mpi-lib=[] '
configopts += '--with-mpi-include=[] '
configopts += '--with-mpiexec=srun '
configopts += '--with-blas-lapack=1 '
configopts += '--with-superlu=1 '
configopts += '--with-superlu-dir="$EBROOTSUPERLU" '
configopts += '--with-superlu_dist=1 '
configopts += '--with-superlu_dist-dir="$EBROOTSUPERLU_DIST" '
configopts += '--with-parmetis=1 '
configopts += '--with-parmetis-dir="$EBROOTPARMETIS" '
configopts += '--with-metis=1 '
configopts += '--with-metis-dir="$EBROOTMETIS" '
configopts += '--with-hypre=1 '
configopts += '--with-scalapack=1 '
configopts += '--with-ptscotch=1 '
configopts += '--with-ptscotch-der="$EBROOTSCOTCH" '
configopts += '--with-mumps=1 '
configopts += '--with-mumps-include="$EBROOTMUMPS/include" '
configopts += '--with-mumps-lib="-L$EBROOTMUMPS/lib -lcmumps -ldmumps -lesmumps -lsmumps -lzmumps -lmumps_common -lptesmumps -lesmumps -lpord -lmpifort" '
configopts += '--with-hdf5=1 '
configopts += '--with-cxx-dialect=C++11 '
configopts += '--CFLAGS="-O3 -ffast-math -fopenmp" '
configopts += '--FFLAGS="-O3 -ffast-math -fopenmp -fallow-argument-mismatch" '
configopts += '--LDFLAGS="-fopenmp -Wl,--allow-multiple-definition" '
configopts += '--LIBS="-lgfortran -lgcc -lstdc++" '

# This is for checking if linking against the library is correct
runtest = 'check_build MPIEXEC=exec V=1'

sanity_check_paths = {
    'files': ['lib/libpetsc.%s' % SHLIB_EXT],
    'dirs': ['lib/pkgconfig', 'lib/petsc/bin'],
}

moduleclass = 'numlib'

[PETSc] [package list]