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new file: m/Molden/Molden-6.3-intel-2020a.eb new file: o/OpenBabel/OpenBabel-3.1.1-Py-3.7.eb
40 lines
1.1 KiB
Plaintext
40 lines
1.1 KiB
Plaintext
# IT4Innovations 2020
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# LK
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name = 'OpenBabel'
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version = '3.1.1'
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homepage = 'http://openbabel.org'
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description = """Open Babel is a chemical toolbox designed to speak the many
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languages of chemical data. It's an open, collaborative project allowing anyone
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to search, convert, analyze, or store data from molecular modeling, chemistry,
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solid-state materials, biochemistry, or related areas."""
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toolchain = {'name': 'Py', 'version': '3.7'}
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toolchainopts = {'optarch': True}
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source_urls = ['https://github.com/openbabel/openbabel/archive']
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sources = ['openbabel-3-1-1.tar.gz']
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configopts = "-DPYTHON_BINDINGS=ON -DRUN_SWIG=ON"
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builddependencies = [
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('CMake', '3.16.2', '', True)
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]
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dependencies = [
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('zlib', '1.2.11', '', ('GCCcore', '8.3.0')),
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('libxml2', '2.9.9', '', True),
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('Eigen', '3.3.7', '', True),
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('cairo', '1.17.2', '', ('GCCcore', '8.3.0')),
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('SWIG', '3.0.12'),
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]
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sanity_check_paths = {
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'files': ['bin/obabel', 'lib/python3.7/site-packages/openbabel/openbabel.py'],
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'dirs': ['bin', 'include', 'lib'],
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}
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moduleclass = 'chem'
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