easyconfigs-it4i/p/phono3py/phono3py-2.4.1-conda.eb
Jakub Kropacek 7360357a83 new file: p/phono3py/phono3py-2.4.1-conda.eb
new file:   p/phonopy/phonopy-2.16.3-conda.eb
2022-10-10 11:15:44 +02:00

28 lines
511 B
Plaintext

# IT4Innovations 2022
# JK
easyblock = "Conda"
name = 'phono3py'
version = '2.4.1'
versionsuffix = '-conda'
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""
toolchain = SYSTEM
dependencies = [
('Anaconda3', '2022.05'),
]
requirements = "%(namelower)s"
channels = ['atztogo']
sanity_check_paths = {
'files': ['bin/phono3py', 'bin/phonopy'],
'dirs': ['bin', 'lib']
}
moduleclass = 'phys'