[PETSc] [package list]

PETSc/3.17.4-cpeCray-22.08-GPU (PETSc-3.17.4-cpeCray-22.08-GPU.eb)

Install with the EasyBuild-user module:

eb PETSc-3.17.4-cpeCray-22.08-GPU.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider PETSc/3.17.4-cpeCray-22.08-GPU.

EasyConfig:

easyblock = 'ConfigureMake'

name = 'PETSc'
version = '3.17.4'
versionsuffix = '-GPU'

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': 'cpeCray', 'version': '22.08'}
toolchainopts = {'openmp': True}
# This option introduce `cc -xhip` as linker command which does not support linking at the moment
#toolchainopts = {'usehip': 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]

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

dependencies = [
    ('cray-python', EXTERNAL_MODULE),
    ('cray-hdf5-parallel', EXTERNAL_MODULE),
    ('Boost', '1.79.0'),
    ('METIS', '5.1.0'),
    ('SCOTCH', '6.1.3'),
]

local_petsc_arch = 'cray-amd-gfx90a-cray'
#PETSC_ARCH=local_petsc_arch

preconfigopts = 'module unload craype-accel-amd-gfx90a && '

configopts = '--with-petsc-arch=' + local_petsc_arch
configopts += ' CC=cc CXX=CC FC=ftn --with-cc=cc --with-cxx=CC --with-fc=ftn '
configopts += 'CFLAGS="$CFLAGS" CXXFLAGS="$CXXFLAGS" FCFLAGS="$FCFLAGS" FFLAGS="$FFLAGS" CPPFLAGS="$CPPFLAGS" LDFLAGS="$LDFLAGS" '
configopts += '--with-fortran-datatypes=1 --with-fortran-interfaces=1 --with-fortran-bindings=1 --with-cxx-dialect=C++11 '
configopts += '--with-x=0 --with-ssl=0 --with-shared-libraries=1 --with-mpiexec=srun --with-blas-lapack=1 --with-metis=1 --with-hypre=0 --with-scalapack=1 --with-ptscotch=1 --with-mumps=0 --with-hdf5=1 '
configopts += '--with-metis-dir="$EBROOTMETIS" --with-hdf5-dir="$CRAY_HDF5_PARALLEL_PREFIX" --with-ptscotch-dir="$EBROOTSCOTCH" '
configopts += '--HIPC=hipcc --with-hip=1 --with-hip-arch="gfx90a" --with-hip-dir="/opt/rocm/hip"'

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]