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8dcb965f9c
new file: d/DL_MG/DL_MG-3.0.0-intel-2021b-disable-openmp.patch new file: d/DL_MG/DL_MG-3.0.0-intel-2021b.eb new file: i/iimpi/iimpi-2021b-VASP-SCPC.eb new file: p/PSPFFT/PSPFFT-1.0-intel-2021b.eb new file: p/PSPFFT/pspfft-1.0-intel-2021b-makefile-setup.patch new file: p/phonopy/phonopy-2.15.1-conda.eb new file: v/VASP/VASP-6.3.2-intel-2021b-SCPC.eb deleted: p/phonopy/phonopy-2.15.0-conda.eb
38 lines
1.1 KiB
Plaintext
38 lines
1.1 KiB
Plaintext
# IT4Innovations 2022
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# JK
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easyblock = 'MakeCp'
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name = 'DL_MG'
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version = '2.1.4'
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homepage = 'https://bitbucket.org/dlmgteam/dl_mg_code_public/src/master/'
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description = """DL_MG is a parallel (MPI+OpenMP) 3D geometric high order finite difference multigrid solver for Poisson and Poisson-Boltzmann Equations written in Fortran."""
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toolchain = {'name': 'intel', 'version': '2021b'}
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toolchainopts = {'usempi': True, 'openmp': False}
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sources = ['dlmg-v%(version)s.tar.gz']
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patches = ['DL_MG-3.0.0-intel-2021b-disable-openmp.patch']
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checksums = [
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'c025fe3c2f8ea69404e762619ebd514c85532a33065912758cca1c1a3d705e10', # dlmg-v2.1.4.tar.gz
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'2a26acffb55095936147a8ef5db2105d691d257a86106e5459913403eb0c7380', # DL_MG-3.0.0-intel-2021b-disable-openmp.patch
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]
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# have to disable openmp for VASP to link against DL_MG library
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buildopts = ' PLATFORM=RH65_workstation_intel16_intelmpi USE_MPI=yes '
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files_to_copy = ''
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postinstallcmds = [
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' mkdir %(installdir)s/lib ',
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' cp %(builddir)s/dlmg-v%(version)s/lib/* %(installdir)s/lib '
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]
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sanity_check_paths = {
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'files': ['lib/libdlmg.a', 'lib/dl_mg.mod'],
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'dirs': ['lib']
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}
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moduleclass = 'phys'
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