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99d75d045f
new file: d/dotNET-Core-SDK/dotNET-Core-SDK-2.2.101.eb new file: e/ELPA/ELPA-2016.11.001.pre-intel-2017a.eb new file: e/ELPA/ELPA-2017.11.001-intel-2017a.eb new file: h/HDF5/HDF5-1.10.2-intel-2017a.eb new file: l/libxc/libxc-4.2.3-intel-2017a.eb new file: p/phonopy/phonopy-1.14.2-Py-3.6.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-6.3-intel-2017a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-6.3-intel-2017a.eb.old modified: q/QuantumESPRESSO/QuantumESPRESSO-6.3_drop_LIBS_before_configure_of_fox.patch new file: q/QuantumESPRESSO/QuantumESPRESSO-6.3_drop_LIBS_before_configure_of_fox.patch.old new file: v/VASP/VASP-5.4.4-intel-2017c-mkl=cluster-LONGCHAR.eb
28 lines
854 B
Plaintext
28 lines
854 B
Plaintext
easyblock = 'ConfigureMake'
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name = 'libxc'
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version = '4.2.3'
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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': '2017a'}
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source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/%(version)s/']
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sources = [SOURCE_TAR_GZ]
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checksums = ['02e49e9ba7d21d18df17e9e57eae861e6ce05e65e966e1e832475aa09e344256']
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configopts = '--enable-static --enable-shared --enable-fortran'
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runtest = 'check'
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sanity_check_paths = {
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'files': ['lib/libxc%s.%s' % (x, y) for x in ['', 'f90'] for y in ['a', 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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