# IT4Innovations 2020
# LK

name = 'OpenBabel'
version = '3.1.1'

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': 'Py', 'version': '3.7'}
toolchainopts = {'optarch': True}

source_urls = ['https://github.com/openbabel/openbabel/archive']
sources = ['openbabel-3-1-1.tar.gz']

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

builddependencies = [
    ('CMake', '3.16.2', '', True)
]

dependencies = [
    ('zlib', '1.2.11', '', ('GCCcore', '8.3.0')),
    ('libxml2', '2.9.9', '', True),
    ('Eigen', '3.3.7', '', True),
    ('cairo', '1.17.2', '', ('GCCcore', '8.3.0')),
    ('SWIG', '3.0.12'),
]


sanity_check_paths = {
    'files': ['bin/obabel', 'lib/python3.7/site-packages/openbabel/openbabel.py'],
    'dirs': ['bin', 'include', 'lib'],
}

moduleclass = 'chem'
