OpenBabel-2.4.9-GCCcore-6.3.0-Python-3.7.3.eb 1.13 KB
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# IT4Innovations 2019

name = 'OpenBabel'
version = '2.4.9'
versionsuffix = '-Python-%(pyver)s'

homepage = 'http://openbabel.org'
description = """Open Babel is a chemical toolbox designed to speak the many
 languages of chemical data. It's an open, collaborative project allowing anyone
 to search, convert, analyze, or store data from molecular modeling, chemistry,
 solid-state materials, biochemistry, or related areas."""

toolchain = {'name': 'GCCcore', 'version': '6.3.0'}
toolchainopts = {'optarch': True}

source_urls = ['https://github.com/openbabel/openbabel/archive']
sources = ['7cfe44859a492b6eb5df00a2ef663afedce1357b.zip']
patches = [
#    'OpenBabel-2.3.2-use-xHost.patch',
#    'OpenBabel-2.4.1-fix-link-path-tests.patch',
#    'OpenBabel-2.4.1_fix-Python-3.patch',
]

configopts = "-DPYTHON_BINDINGS=ON -DRUN_SWIG=ON"

builddependencies = [('CMake', '3.8.1', '', True)]

dependencies = [
    ('Python', '3.7.3'),
    ('zlib', '1.2.11', '', True),
    ('libxml2', '2.9.9', '', True),
    ('Eigen', '3.3.7', '', True),
    ('cairo', '1.14.12', '', True),
    ('SWIG', '3.0.12', '%(versionsuffix)s'),
]

runtest = 'test'

moduleclass = 'chem'