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28d1706c8a
new file: g/GlobalArrays/GlobalArrays-5.8-intel-2021a.eb new file: h/HDF5/HDF5-1.13.1-gompi-2022a.eb new file: h/HDF5/HDF5-1.13.1-iimpi-2022a.eb new file: o/OpenMolcas/OpenMolcas-22.06-intel-2021a.eb new file: v/VASP/VASP-6.3.1-foss-2022a.eb modified: v/VASP/VASP-6.3.1-intel-2021b.eb new file: w/Wannier90/Wannier90-3.1.0-foss-2022a-serial.eb deleted: v/VASP/VASP-6.3.1-intel-2021b-cluster-independent.patch deleted: v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential.eb
34 lines
1.1 KiB
Plaintext
34 lines
1.1 KiB
Plaintext
# IT4Innovations 2022
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# JK
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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': '2021a'}
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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$MLROOT/lib/intel64 -lmkl_sequential -lmkl_intel_ilp64"'
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configopts += ' --with-scalapack8="L$MKLROOT/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 '
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configopts += '-lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_ilp64 -lpthread -lm -ldl"'
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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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