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32 lines
840 B
Plaintext
32 lines
840 B
Plaintext
# IT4Innovations 2018
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name = 'Amber'
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version = '18'
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ambertools_ver = '18'
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# Patch levels from http://ambermd.org/bugfixes16.html and http://ambermd.org/bugfixesat.html
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# patchlevels = (5, 14) # (AmberTools, Amber)
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versionsuffix = '-AmberTools-%s-serial' % (ambertools_ver)
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homepage = 'http://ambermd.org/amber.html'
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description = """Amber (originally Assisted Model Building with Energy
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Refinement) is software for performing molecular dynamics and structure
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prediction."""
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toolchain = {'name': 'iomkl', 'version': '2017b'}
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toolchainopts = {'usempi': False}
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sources = [
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'Amber%(version)s.tar.bz2',
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'AmberTools%s.tar.bz2' % ambertools_ver,
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]
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#patches = ['Amber-%(version)s_fix-hardcoding.patch']
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dependencies = [
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('netCDF', '4.6.1'),
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('netCDF-Fortran', '4.4.4'),
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('Py', '2.7', '', True),
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]
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moduleclass = 'chem'
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