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32 lines
872 B
Plaintext
32 lines
872 B
Plaintext
easyblock = 'Tarball'
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name = 'ADF'
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version = '2016.101'
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homepage = 'http://www.scm.com/ADF/'
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description = """ADF is an accurate, parallelized, powerful computational chemistry program to understand and
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predict chemical structure and reactivity with density functional theory (DFT)."""
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toolchain = {'name': 'dummy', 'version': 'dummy'}
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sources = ['adf%(version)s.pc64_linux.intelmpi.tgz']
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keepsymlinks = True
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sanity_check_paths = {
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'files': [],
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'dirs': ['atomicdata', 'bin', 'examples'],
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}
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modextravars = {
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'ADFHOME': '%(installdir)s',
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'ADFBIN': '%(installdir)s/bin',
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'ADFRESOURCES': '%(installdir)s/atomicdata',
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}
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modloadmsg = "These environment variables need to be defined before using ADF:\n"
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modloadmsg += " * $SCMLICENSE: path to ADF license file\n"
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modloadmsg += " * $SCM_TMPDIR: path to user scratch directory"
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moduleclass = 'chem'
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