name = 'DIRAC'
version = '14.1'
versionsuffix = '-Python-2.7.10'

homepage = 'http://diracprogram.org/'
description = """The DIRAC program computes molecular properties using relativistic quantum chemical methods."""

toolchain = {'name': 'intel', 'version': '2015b'}
toolchainopts = {'usempi': True}

# requires registration/license to download, http://dirac.chem.sdu.dk/DIRAC14/
sources = ['%(name)s-%(version)s-Source.tar.gz']

patches = ['DIRAC-%(version)s_fix-linking-issues.patch']

dependencies = [
    ('zlib', '1.2.8'),
    ('Boost', '1.54.0', versionsuffix),
    ('Eigen', '3.2.7'),
]
builddependencies = [('CMake', '3.4.1')]

runtest = True

moduleclass = 'chem'
