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7d4d7de9b4
new file: g/GTK+/GTK+-3.24.8-GCCcore-8.2.0.eb new file: m/Meld/Meld-3.20.1-Python-3.7.2.eb new file: o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb new file: r/RSPt/RSPTmake.inc new file: r/RSPt/RSPt-1.1-intel-2017c.eb new file: r/RSPt/RSPt-1.1-intel-2017c.patch new file: s/SPRKKR/SPRKKR-7.7.2-intel-2017c.eb new file: s/SPRKKR/SPRKKR-7.7.2-intel-2017c.patch deleted: p/PyGTK/PyGTK-2.24.0-Python-2.7.13.eb
37 lines
867 B
Plaintext
37 lines
867 B
Plaintext
# IT4Innovations 2019
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easyblock = 'MakeCp'
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name = 'SPRKKR'
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version = '7.7.2'
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homepage = 'http://olymp.cup.uni-muenchen.de/index.php?option=com_content&view=article&id=8&catid=4&Itemid=7&lang=en'
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description = """The SPRKKR band structure package allows to calculate the electronic
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structure of arbitrary 3-D periodic systems, including systems with chemical disorder."""
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toolchain = {'name': 'intel', 'version': '2017c'}
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sources = ['SPRKKR7_7_2.zip']
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patches = ['SPRKKR-7.7.2-intel-2017c.patch']
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dependencies = [
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('git', '2.21.0', '', True),
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('dos2unix', '7.4.0', '', True),
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]
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prebuildopts = "dos2unix gitstamp.sh && chmod +x gitstamp.sh && mkdir bin && "
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buildopts = "allmpi"
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maxparallel = 1
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files_to_copy = ["bin"]
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sanity_check_paths = {
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'files': ['bin/embgen7.7.2MPI', 'bin/kkrchi7.7.2MPI'],
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'dirs': []
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}
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moduleclass = 'phys'
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