[PETSc] [package list]

PETSc/3.24.4-cpeCray-25.03-rocm (PETSc-3.24.4-cpeCray-25.03-rocm.eb)

Install with the EasyBuild-user module:

eb PETSc-3.24.4-cpeCray-25.03-rocm.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider PETSc/3.24.4-cpeCray-25.03-rocm.

EasyConfig:

#DOC PETSc for GPU with CCE compilers, development version
easyblock = 'ConfigureMake'

local_Boost_version        = '1.88.0'
local_METIS_version        = '5.1.0'
local_ParMETIS_version     = '4.0.3'
local_SCOTCH_version       = '7.0.8'
local_MUMPS_version        = '5.6.1'
local_Hypre_version        = '2.33.0'
local_SuperLU_version      = '7.0.1'
local_SuperLU_DIST_version = '9.2.0'
local_Kokkos_version       = '4.6.02'
local_Kokkos_kernels_ver   = '4.6.02'

local_PETSc_version = '3.24.4'

name = 'PETSc'
version = local_PETSc_version
versionsuffix = '-rocm'

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': '25.03'}
toolchainopts = {'openmp': False, 'usempi': True, 'pic': True}

source_urls = ['https://web.cels.anl.gov/projects/petsc/download/release-snapshots']
sources = [SOURCELOWER_TAR_GZ]

checksums = [
    '772bb47638f8335e4a5982c48947af250e58061100a817c9e1e2fdc50de2ce95', # petsc-3.24.4.tar.gz
]

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

dependencies = [
    ('rocm',               EXTERNAL_MODULE),
    ('cray-python',        EXTERNAL_MODULE),
    ('cray-hdf5-parallel', EXTERNAL_MODULE),
    ('Boost',              local_Boost_version),
    ('METIS',              local_METIS_version),
    ('ParMETIS',           local_ParMETIS_version),
    ('SCOTCH',             local_SCOTCH_version),
    ('MUMPS',              local_MUMPS_version,        '-OpenMP'),
    ('Hypre',              local_Hypre_version),
    ('SuperLU',            local_SuperLU_version,      '-OpenMP'),
    ('SuperLU_DIST',       local_SuperLU_DIST_version, '-OpenMP-CPU'),
    ('Kokkos',             local_Kokkos_version,       '-rocm'),
    ('Kokkos-kernels',     local_Kokkos_kernels_ver,   '-rocm'),
]

# This is important while some packages are installed prior to build
#keeppreviousinstall = True

preconfigopts = 'mkdir -p %(installdir)s && '

#prebuildopts = preconfigopts

configopts = ' '.join([
    '--known-has-attribute-aligned=1',
    '--known-mpi-int64_t=0',
    '--known-bits-per-byte=8',
    '--known-64-bit-blas-indices=0',
    '--known-sdot-returns-double=0',
    '--known-snrm2-returns-double=0',
    '--known-memcmp-ok=1',
    '--known-mpi-c-double-complex=1',
    '--known-mpi-long-double=1',
    '--known-mpi-shared-libraries=0',
    '--known-sizeof-MPI_Comm=4',
    '--known-sizeof-MPI_Fint=4',
    '--known-sizeof-char=1',
    '--known-sizeof-double=8',
    '--known-sizeof-float=4',
    '--known-sizeof-int=4',
    '--known-sizeof-long-long=8',
    '--known-sizeof-long=8',
    '--known-sizeof-short=2',
    '--known-sizeof-size_t=8',
    '--known-sizeof-void-p=8',
    '--with-ar=ar',
    '--with-batch=0',
    '--with-cc="$CC"',
    '--with-clib-autodetect=0',
    '--with-cxx="$CXX"',
    '--with-cxxlib-autodetect=0',
    '--with-fc="$FC"',
    '--with-fortran-datatypes=1',
    '--with-fortran-interfaces=1',
    '--with-fortran-bindings=1',
    '--with-fortranlib-autodetect=0',
    '--with-ranlib=ranlib',
    '--with-scalar-type=real',
    '--with-shared-ld=ar',
    '--with-etags=0',
    '--with-openmp=0',
    '--with-x=0',
    '--with-ssl=0',
    '--with-shared-libraries=1',
    '--with-mpi-lib=[]',
    '--with-mpi-include=[]',
    '--with-mpiexec=srun',
    '--with-blas-lapack=1',
    '--with-superlu=1',
    '--with-superlu-dir="$EBROOTSUPERLU"',
    '--with-superlu_dist=1',
    '--with-superlu_dist-dir="$EBROOTSUPERLU_DIST"',
    '--with-parmetis=1',
    '--with-parmetis-dir="$EBROOTPARMETIS"',
    '--with-metis=1',
    '--with-metis-dir="$EBROOTMETIS"',
    '--with-hypre=1',
    '--with-hypre-dir="$EBROOTHYPRE"',
    '--with-scalapack=1',
    '--with-ptscotch=1',
    '--with-ptscotch-dir="$EBROOTSCOTCH"',
    '--with-mumps=1',
    '--with-mumps-include="$EBROOTMUMPS/include"',
    '--with-mumps-lib="-L$EBROOTMUMPS/lib -lcmumps -ldmumps -lesmumps -lsmumps -lzmumps -lmumps_common -lptesmumps -lesmumps -lpord -lmpifort"',
    '--with-hdf5=1',
    '--with-cxx-dialect=C++17',
    '--with-hip',
    '--with-hipc=hipcc',
    '--with-hip-arch=gfx90a',
    '--HIPFLAGS+="$(CC --cray-print-opts=cflags)"',
    '--FFLAGS+=-fopenmp', 
    '--with-kokkos=1',
    '--with-kokkos-dir="$EBROOTKOKKOS"',
    '--with-kokkos-kernels=1',
    '--with-kokkos-kernels-dir="$EBROOTKOKKOSMINKERNELS"',
    '--with-python-exec="$CRAY_PYTHON_PREFIX"/bin/python3',
    ' PETSC_ARCH="$CRAY_CPU_TARGET-$CRAY_ACCEL_TARGET"',
])

buildopts = 'PETSC_ARCH=$CRAY_CPU_TARGET-$CRAY_ACCEL_TARGET PETSC_DIR=%(builddir)s/%(namelower)s-%(version)s lib all'

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

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

moduleclass = 'numlib'
modextravars = {'PETSC_ARCH': '$CRAY_CPU_TARGET-$CRAY_ACCEL_TARGET'}

[PETSc] [package list]