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2e868e151f
new file: i/IOTK/IOTK-intel-2020a.patch new file: l/libxc/libxc-2.2.3-intel-2020a.eb new file: n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb new file: y/Yambo/Yambo-4.5.2-intel-2020a.eb
35 lines
1.0 KiB
Plaintext
35 lines
1.0 KiB
Plaintext
# JH 2020
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easyblock = 'ConfigureMake'
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name = 'libxc'
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version = '2.2.3'
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homepage = 'http://www.tddft.org/programs/octopus/wiki/index.php/Libxc'
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description = """Libxc is a library of exchange-correlation functionals for density-functional theory.
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The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals."""
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toolchain = {'name': 'intel', 'version': '2020a'}
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toolchainopts = {'opt': True}
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sources = [SOURCE_TAR_GZ]
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source_urls = ['https://www.tddft.org/programs/libxc/down/%(version)s']
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configopts = 'FC="$F77" FCFLAGS="$FFLAGS" --enable-shared'
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# From the libxc mailing list
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# To summarize: expect less tests to fail in libxc 2.0.2, but don't expect
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# a fully working testsuite soon (unless someone wants to volunteer to do
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# it, of course ) In the meantime, unless the majority of the tests
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# fail, your build should be fine.
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#runtest = 'check'
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sanity_check_paths = {
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'files': ['lib/libxc.a', 'lib/libxc.%s' % SHLIB_EXT],
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'dirs': ['include'],
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}
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parallel = 1
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moduleclass = 'chem'
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