# IT4Innovations 2021
# LK JK

name = 'BerkeleyGW'
version = '3.0.1'
versionsuffix = '-Python-%(pyver)s'

homepage = 'https://www.berkeleygw.org'
description = """The BerkeleyGW Package is a set of computer codes that calculates the quasiparticle
 properties and the optical responses of a large variety of materials from bulk periodic crystals to
 nanostructures such as slabs, wires and molecules."""

toolchain = {'name': 'intel', 'version': '2020b'}
toolchainopts = {'usempi': True, 'openmp': True, 'precise': True}

source_urls = ['https://berkeley.box.com/shared/static/']
sources = [{'download_filename': 'm1dgnhiemo47lhxczrn6si71bwxoxor8.gz', 'filename': SOURCE_TAR_GZ}]

dependencies = [
    ('ELPA', '2019.11.001'),
    ('Python', '3.8.6'),
    ('h5py', '2.10.0', versionsuffix),
]

# two tests failing (Si-EPM_subspace_cplx) with the intel toolchain, a few more if on skylake
runtest = False

moduleclass = 'phys'
