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40 lines
1014 B
Plaintext
40 lines
1014 B
Plaintext
# IT4Innovations 2019
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name = 'DIRAC'
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version = '18.0'
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versionsuffix = '-Py-2.7-test'
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homepage = 'http://diracprogram.org/'
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description = """The DIRAC program local_computes molecular properties using relativistic quantum chemical methods."""
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toolchain = {'name': 'intel', 'version': '2017c'}
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toolchainopts = {'usempi': True}
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# requires registration/license to download, http://dirac.chem.sdu.dk/DIRAC14/
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sources = ['%(name)s-%(version)s-Source.tar']
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dependencies = [
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('zlib', '1.2.11', '', True),
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('Boost', '1.68.0', '-Py-2.7'),
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('Eigen', '3.3.7', '', True),
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('Py', '2.7', '', True)
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]
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builddependencies = [
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('CMake', '3.14.1', '', True)
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]
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#skipsteps = ['configure']
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#prebuildopts = './setup --fc=mpiifort --mpi --cc=mpiicc --cxx=mpicxx --prefix=/apps/all/DIRAC/%(version)s-intel-2017c-Py-2.7 && '
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#prebuildopts += 'cd build && '
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#preinstallopts = 'cd build && '
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#preinstallopts += 'make install && '
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sanity_check_paths = {
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'files': [],
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'dirs': ['bin'],
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}
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moduleclass = 'chem'
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