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add missing (optional) dependency cp2k-input-tools to phonopy 2.20.0
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boegel committed Oct 4, 2024
1 parent 2c47fb7 commit 277cf56
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easyblock = 'PythonBundle'

name = 'cp2k-input-tools'
version = '0.9.1'

homepage = 'https://github.com/cp2k/cp2k-input-tools'
description = "Fully validating pure-python CP2K input file parsers including preprocessing capabilities"

toolchain = {'name': 'foss', 'version': '2023a'}

builddependencies = [
('poetry', '1.5.1'),
]

dependencies = [
('Python', '3.11.3'),
('Python-bundle-PyPI', '2023.06'),
('Pint', '0.23'),
('pydantic', '2.5.3'),
]

use_pip = True

exts_list = [
('transitions', '0.9.2'),
(name, version, {
'sources': ['cp2k_input_tools-%(version)s.tar.gz'],
}),
]

sanity_check_paths = {
'files': ['bin/fromcp2k'],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

sanity_check_commands = [
"fromcp2k --help",
]

sanity_pip_check = True

moduleclass = 'tools'
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Expand Up @@ -18,6 +18,7 @@ dependencies = [
('PyYAML', '6.0'),
('h5py', '3.9.0'),
('spglib-python', '2.1.0'),
('cp2k-input-tools', '0.9.1'),
]

download_dep_fail = True
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