# IT4Innovations 2021
# JK

easyblock = "Conda"

name = 'phonopy'
version = '2.12.0'
versionsuffix = '-conda'

homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""

toolchain = SYSTEM

dependencies = [
    ('Anaconda3', '2021.05'),
]

requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"
channels = ['conda-forge']

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

moduleclass = 'phys'
