# IT4Innovations 2020

easyblock = 'PythonPackage'

name = 'phonopy'
version = '2.4.2'

homepage = 'http://atztogo.github.io/phonopy/'
description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""

toolchain = {'name': 'Py', 'version': '3.6'}

source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]

dependencies = [
    ('intel', '2019a', '', True),
    ('matplotlib', '3.1.0', '-Py-3.6', True),
    ('wheel', '0.33.4', '-Py-3.6', True),
#    ('lxml', '4.3.3', '-Py-3.7', True),
    ('PyYAML', '5.1.2', '-Py-3.6', True),
#    ('h5py', '2.9.0', '-Py-3.7', True),
]

# required because we're building a Python package using Intel compilers on top of Python built with GCC
check_ldshared = True

download_dep_fail = True
use_pip = True

sanity_check_paths = {
    'files': ['bin/phonopy'],
    'dirs': ['lib/python3.6/site-packages'],
}

moduleclass = 'lib'