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a6b9e23443
new file: o/OCaml/OCaml-4.09.0.eb modified: s/Singularity/Singularity-3.5.2.eb new file: u/Unison/Unison-2.51.2-GCC-6.3.0-2.27.eb new file: v/VASP/VASP-5.4.4-intel-2017c-mkl=cluster-Wannier.eb new file: w/Wannier90/Wannier90-3.0.0-intel-2017c.eb new files yourself (see 'git help status').
37 lines
1.1 KiB
Plaintext
37 lines
1.1 KiB
Plaintext
# IT4Innovations 2020
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easyblock = 'MakeCp'
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name = 'Wannier90'
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version = '3.0.0'
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homepage = 'http://www.wannier.org'
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description = """A tool for obtaining maximally-localised Wannier functions"""
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toolchain = {'name': 'intel', 'version': '2017c'}
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toolchainopts = {'usempi': True}
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github_account = 'wannier-developers'
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source_urls = [GITHUB_LOWER_SOURCE]
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sources = [{'download_filename': 'v%(version)s.tar.gz', 'filename': SOURCELOWER_TAR_GZ}]
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patches = ['Wannier90_3x_ignore_makeinc.patch']
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checksums = [
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'f196e441dcd7b67159a1d09d2d7de2893b011a9f03aab6b30c4703ecbf20fe5b', # v3.0.0.tar.gz
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'561c0d296e0e30b8bb303702cd6e41ded54c153d9b9e6cd9cab73858e5e2945e', # Wannier90_3x_ignore_makeinc.patch
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]
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buildopts = 'all F90=$F90 MPIF90=$MPIF90 FCOPTS="$FFLAGS" LDOPTS="$FFLAGS" '
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buildopts += 'LIBDIR="$LAPACK_LIB_DIR" LIBS="$LIBLAPACK" '
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buildopts += 'COMMS=mpi'
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files_to_copy = [(['wannier90.x', 'postw90.x'], 'bin'), (['libwannier.a'], 'lib')]
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sanity_check_paths = {
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'files': ['bin/wannier90.x', 'bin/postw90.x', 'lib/libwannier.a'],
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'dirs': []
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}
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moduleclass = 'chem'
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