mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-08 07:52:11 +01:00
914c775b08
modified: b/Boost/Boost-1.77.0-gompi-2021a.eb modified: c/CMake/CMake-3.16.2.eb new file: e/ELPA/ELPA-2019.11.001-intel-2021a.eb modified: e/ELPA/ELPA-2023.11.001-intel-2023b.eb modified: h/HDF5/HDF5-1.10.6-intel-2020a.eb modified: i/IOTK/IOTK-1.2.2-intel-2020a.eb modified: j/Java/Java-1.8.0_221.eb modified: n/NVHPC/NVHPC-21.9.eb modified: n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb modified: n/netCDF/netCDF-4.7.3-intel-2020a.eb new file: p/PETSc/PETSc-3.21.2-foss-2022b.eb new file: p/petsc4py/petsc4py-3.21.2-foss-2022b.eb modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2020a-MaX.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.2-intel-2021a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.3-intel-2021a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.3.1-intel-2023b-gpu.eb new file: s/SLEPc/SLEPc-3.21.1-foss-2022b.eb new file: s/slepc4py/slepc4py-3.21.1-foss-2022b.eb new file: s/sqsgenerator/sqsgenerator-0.3-conda.eb modified: s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb new file: y/Yambo/Yambo-5.2.3-intel-2020a.eb
43 lines
1.3 KiB
Plaintext
43 lines
1.3 KiB
Plaintext
# IT4Innovations
|
|
# LK 2024
|
|
|
|
name = 'PETSc'
|
|
version = '3.21.2'
|
|
|
|
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': 'foss', 'version': '2022b'}
|
|
toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
|
|
|
|
source_urls = ['https://gitlab.com/petsc/petsc/-/archive/v%(version)s/']
|
|
sources = [SOURCELOWER_TAR_GZ]
|
|
checksums = ['11c69217df68a8b8a666b684560354449fa7e0b6ff8926288bd84722bffbe1ce']
|
|
|
|
builddependencies = [('CMake', '3.24.3')]
|
|
|
|
dependencies = [
|
|
('Python', '3.10.8'),
|
|
('SciPy-bundle', '2023.02'), #Karolina failed
|
|
('Boost', '1.81.0'),
|
|
('METIS', '5.1.0'),
|
|
('SCOTCH', '7.0.3'),
|
|
('MUMPS', '5.6.1', '-metis'),
|
|
('SuiteSparse', '5.13.0', '-METIS-5.1.0'),
|
|
('Hypre', '2.27.0'),
|
|
('ParMETIS', '4.0.3'),
|
|
('SuperLU_DIST', '8.1.2'),
|
|
('mpi4py', '3.1.4'),
|
|
]
|
|
|
|
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'
|