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new file: f/FFTW/FFTW-3.3.8-iccifort-2020.4.304.eb new file: g/GSL/GSL-2.6-iccifort-2020.4.304.eb new file: g/GlobalArrays/GlobalArrays-5.8-intel-2020b.eb new file: h/hipify-clang/hipify-clang-4.2.0-gcccuda-2020b.eb new file: n/NWChem/NWChem-7.0.2-intel-2020a-Python-3.8.2-karolina.eb modified: n/NWChem/NWChem-7.0.2-intel-2020a-Python-3.8.2.eb new file: o/OpenMolcas/OpenMolcas-21.06-intel-2020b-Python-3.8.6.eb new file: p/pymatgen/pymatgen-2022.0.12-foss-2020b.eb new file: q/QMCPACK/QMCPACK-3.11.0-intel-2020a-Python-3.8.2.eb new file: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-VASPsol-karolina.eb
33 lines
1.0 KiB
Plaintext
33 lines
1.0 KiB
Plaintext
# IT4Innovations
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# LK 2021
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easyblock = 'ConfigureMake'
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name = 'GlobalArrays'
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version = '5.8'
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homepage = 'https://hpc.pnl.gov/globalarrays'
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description = "Global Arrays (GA) is a Partitioned Global Address Space (PGAS) programming model"
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toolchain = {'name': 'intel', 'version': '2020b'}
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toolchainopts = {'usempi': True}
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source_urls = ['https://github.com/GlobalArrays/ga/releases/download/']
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sources = ['v%(version)s/ga-%(version)s.tar.gz']
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checksums = ['64df7d1ea4053d24d84ca361e67a6f51c7b17ed7d626cb18a9fbc759f4a078ac']
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configopts = ' --with-mpi --enable-i8'
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configopts += ' --with-blas8="-L$EBROOTIMKL/mkl/lib/intel64 -lmkl_sequential -lmkl_intel_ilp64"'
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configopts += ' --with-scalapack8="-L$EBROOTIMKL/mkl/lib/intel64 -lmkl_sequential -lmkl_scalapack_ilp64"'
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# select armci network as (Comex) MPI-1 two-sided
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configopts += ' --with-mpi-ts'
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sanity_check_paths = {
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'files': ['bin/adjust.x', 'bin/collisions.x', 'bin/ga-config', 'lib/libarmci.a',
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'lib/libcomex.a', 'lib/libga.a'],
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'dirs': ['include'],
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}
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moduleclass = 'lib'
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