# IT4Innovations 2019

name = 'DIRAC'
version = '18.0'
versionsuffix = '-Py-2.7-test'

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

toolchain = {'name': 'intel', 'version': '2017c'}
toolchainopts = {'usempi': True}

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

dependencies = [
    ('zlib', '1.2.11', '', True),
    ('Boost', '1.68.0', '-Py-2.7'),
    ('Eigen', '3.3.7', '', True),
    ('Py', '2.7', '', True)
]

builddependencies = [
    ('CMake', '3.14.1', '', True)
]

#skipsteps = ['configure']

#prebuildopts = './setup --fc=mpiifort --mpi --cc=mpiicc --cxx=mpicxx --prefix=/apps/all/DIRAC/%(version)s-intel-2017c-Py-2.7 && '
#prebuildopts += 'cd build && '
#preinstallopts = 'cd build && '
#preinstallopts += 'make install && '

sanity_check_paths = {
    'files': [],
    'dirs': ['bin'],
}

moduleclass = 'chem'