# 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'