# IT4Innovations 2021
# JK

easyblock = 'PythonPackage'

name = 'phono3py'
version = '2.0.0'
versionsuffix = '-Python-%(pyver)s'

homepage = 'https://atztogo.github.io/phono3py/'
description = "phono3py calculates phonon-phonon interaction and related properties using the supercell approach."

toolchain = {'name': 'intel', 'version': '2020a'}

sources = [SOURCE_TAR_GZ]

dependencies = [
    ('Python', '3.8.2'),
    ('phonopy', '2.11.0', versionsuffix),
    ('ScaLAPACK', '2.1.0', '-gompi-2020a', True),
]

sanity_check_paths = {
    'files': ['bin/phono3py'],
    'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

moduleclass = 'chem'
