# IT4Innovations 2020
# LK

easyblock = "PythonPackage"

name = 'phono3py'
version = '1.19.1'
versionsuffix = '-Py-3.7'

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

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

source_urls = ['https://github.com/phonopy/phono3py/archive/']
sources = ['v%(version)s.tar.gz']

# notice the hash hack to override setup.py
prebuildopts = 'python setup.py build #'
# another hack
preinstallopts = 'python setup.py install --prefix=%(installdir)s #'
skipsteps = ['test']
options = {'modulename': 'phonopy'}

dependencies = [
    ('Py', '3.7', '', True),
    ('OpenBLAS', '0.2.20', '', ('GCC', '8.3.0-2.32')),
    ('numpy', '1.18.1', versionsuffix, True),
#    ('h5py', '2.10.0'),
    ('matplotlib', '3.1.0', versionsuffix, True),
    ('PyYAML', '5.3.1', versionsuffix, True),
    ('phonopy', '2.6.1', versionsuffix,),
]

moduleclass = 'phys'