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new file: p/phonopy/phonopy-1.9.1-conda.eb

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Lukas Krupcik 2023-11-06 10:42:56 +01:00
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# IT4Innovations
# LK 2023
easyblock = "Conda"
name = 'phonopy'
version = '1.9.1'
versionsuffix = '-conda'
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""
toolchain = SYSTEM
dependencies = [
('Anaconda3', '2023.07-2'),
]
requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"
channels = ['conda-forge']
sanity_check_paths = {
'files': ['bin/phonopy'],
'dirs': ['bin', 'lib']
}
moduleclass = 'phys'