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31 lines
1.1 KiB
Plaintext
31 lines
1.1 KiB
Plaintext
easyblock = 'PackedBinary'
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name = 'deMonNano'
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version = '4.3.6'
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homepage = 'http://www.demon-software.com'
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description = """deMonNano is a software package for density functional theory based tight binding calculations.
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It is part of the deMon (density of Montréal) suite of programs. The present version of the code of deMon for
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DFT is now known as deMon2k. This code and general information about deMon are available at http://www.demon-software.com
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"""
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toolchain = {'name': 'dummy', 'version': ''}
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source_urls = ['http://demon-nano.ups-tlse.fr/']
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sources = ['%(name)s.tar.gz']
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postinstallcmds = [
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'mkdir %(installdir)s/bin',
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'mv %(installdir)s/deMon.static-website.x %(installdir)s/bin',
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'sed -i "s|type here the path to your \\\"basis\\\" directory|%(installdir)s/basis|" %(installdir)s/deMon.inp',
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]
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sanity_check_paths = {
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'files': ['bin/deMon.static-website.x'],
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'dirs': ['basis'],
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}
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modluafooter = 'execute {cmd=\'echo "Please, copy deMon.inp from $EBROOTDEMONNANO to your folder before execute \\\`deMon.static-website.x\\\` ( cp \\\$EBROOTDEMONNANO/deMon.inp . )"\',modeA={\'load\'}}'
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moduleclass = 'cae'
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