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ba185e3268
new file: a/apptainer/apptainer-1.2.5.eb new file: a/apptainer/apptainer-1.3.0.eb modified: a/apptainer/apptainer-1.3.1.eb modified: d/Dakota/Dakota-6.15.0-foss-2021b.eb modified: d/Dakota/Dakota-6.15.0-intel-2021b.eb new file: g/GSL/GSL-2.7-intel-compilers-2023.2.1.eb modified: h/HDF5/HDF5-1.12.1-foss-2021b-parallel.eb new file: h/htop/htop-3.3.0.eb new file: l/libxc/libxc-6.2.2-intel-compilers-2023.2.1.eb new file: n/netCDF-Fortran/netCDF-Fortran-4.6.1-iimpi-2023b.eb new file: n/netCDF/netCDF-4.9.2-iimpi-2023b.eb new file: o/Octopus/Octopus-14.1-intel-2023b-mpi.eb new file: s/squashfs-tools/squashfs-tools-4.6.1.eb new file: u/uncertainties/uncertainties-3.1.7-foss-2023b.eb
52 lines
1.7 KiB
Plaintext
52 lines
1.7 KiB
Plaintext
# based on https://github.com/easybuilders/easybuild-easyconfigs/pull/12275/commits/4ee39c881caa7638c4c9ddd08b967608f844e90c
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# JK 2022
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easyblock = 'CMakeMake'
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name = 'Dakota'
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version = '6.15.0'
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homepage = 'https://dakota.sandia.gov'
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description = """The Dakota project delivers both state-of-the-art research and robust, usable software for optimization and UQ. Broadly, the Dakota software's advanced parametric analyses enable design exploration, model calibration, risk analysis, and quantification of margins and uncertainty with computational models."""
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toolchain = {'name': 'foss', 'version': '2021b'}
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toolchainopts = {'pic': True, 'usempi': True, 'optarch': False}
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sources = ['%(namelower)s-%(version)s-public-src-cli.tar.gz']
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source_urls = ['https://dakota.sandia.gov/sites/default/files/distributions/public/']
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checksums = [
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'b6d971b7d6fe913aa64fef29cf8fcf55d0e5339f9f55fb164e3cc38716b48f61',
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'6bc07bddfe1fa058184bab592b5a68db71c43f42662493b22417659cfbf0b701'
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]
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patches = ['Dakota-6.15.0-fix_lapack_detection.patch']
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builddependencies = [('CMake', '3.21.1')]
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dependencies = [
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('HDF5', '1.12.1', '-parallel'),
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('Python', '3.9.6'),
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('Perl', '5.34.0'),
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('GSL', '2.7'),
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('Boost', '1.77.0'),
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]
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# build shared libraries
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configopts = "-DBUILD_SHARED_LIBS=ON "
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# set other dependencies
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configopts += "-DDAKOTA_HAVE_MPI=ON "
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configopts += "-DBoost_NO_SYSTEM_PATHS=ON "
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configopts += "-DDAKOTA_HAVE_HDF5=ON "
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configopts += "-DDAKOTA_HAVE_GSL=ON "
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runtest = ' test ARGS="-L AcceptanceTest -j %(parallel)s"'
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# Run install step in parallel
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installopts = ' -j %(parallel)s'
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sanity_check_paths = {
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'files': ["bin/dakota"],
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'dirs': []
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}
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moduleclass = 'math'
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