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new file: d/darshan/darshan-runtime-3.1.4-foss-2017a.eb new file: d/darshan/darshan-util-3.1.4-foss-2017a.eb new file: e/eudev/eudev-3.1.5-intel-2017a.eb new file: f/FFmpeg/FFmpeg-3.1.3-intel-2017a.eb new file: f/flex/flex-2.6.6.eb new file: f/fontsproto/fontsproto-2.1.3-intel-2017a.eb new file: g/glproto/glproto-1.4.17-intel-2017a.eb new file: i/ImageMagick/ImageMagick-7.0.7.27-intel-2017a.eb new file: l/libXau/libXau-1.0.8-intel-2017a.eb new file: l/libXdamage/libXdamage-1.1.4-intel-2017a.eb new file: l/libXfont/libXfont-1.5.1-intel-2017a.eb new file: m/Mesa/Mesa-13.0.0-intel-2017a.eb new file: m/Mesa/Mesa-17.2.6-intel-2017a.eb new file: m/Molden/Molden-5.7-intel-2017b.eb new file: m/mkl/mkl-2018.1.163.eb new file: n/numpy/numpy-1.14.1-mkl-Py-3.6.eb new file: p/Perl/Perl-5.26.1-foss-2017a.eb new file: v/VMD/VMD-1.9.3-intel-2017b-Py-2.7.eb new file: v/VMD/VMD-1.9.3_configure.patch new file: x/x264/x264-20160430-intel-2017a.eb deleted: n/numpy/numpy-1.14.1-Py-3.6.eb
32 lines
740 B
Plaintext
32 lines
740 B
Plaintext
# IT4Innovations
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easyblock = 'MakeCp'
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name = 'Molden'
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version = '5.7'
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homepage = 'http://www.cmbi.ru.nl/molden/'
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description = """Molden is a package for displaying Molecular Density from the
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Ab Initio packages GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical
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packages Mopac/Ampac"""
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toolchain = {'name': 'intel', 'version': '2017b'}
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sources = ['%(namelower)s%(version)s.tar.gz']
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source_urls = ['http://ftp.cmbi.ru.nl/pub/molgraph/molden']
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dependencies = [
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('X11', '20160819', '', True),
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]
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buildopts = 'CC="$CC" FC="$F90" molden'
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files_to_copy = [(['molden'], 'bin'), 'CopyRight', 'README', 'REGISTER']
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sanity_check_paths = {
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'files': ['bin/molden', 'README', 'REGISTER'],
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'dirs': [],
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}
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moduleclass = 'chem'
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