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setup.json
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setup.json
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{
"name": "aiida-phonopy",
"version": "0.3",
"description": "AiiDA plugin for running phonon calculations using phonopy",
"author": "Atsushi Togo",
"author_email": "[email protected]",
"classifiers": [
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Programming Language :: Python :: 3.8",
"Topic :: Scientific/Engineering :: Physics",
"Topic :: Scientific/Engineering :: Chemistry",
"Development Status :: 5 - Production/Stable",
"Framework :: AiiDA"
],
"license": "MIT license",
"install_requires": [
"phonopy>=2.8.1",
"numpy",
"seekpath",
"aiida-core>=1.2.1,<2.0.0",
"aiida-vasp>=1.0.0"
],
"setup_requires": [
"reentry"
],
"entry_points": {
"aiida.calculations": [
"phonopy.phonopy = aiida_phonopy.calcs.phonopy: PhonopyCalculation"
],
"aiida.parsers": [
"phonopy = aiida_phonopy.parsers.phonopy: PhonopyParser"
],
"aiida.workflows": [
"phonopy.phonopy = aiida_phonopy.workflows.phonopy: PhonopyWorkChain",
"phonopy.phono3py = aiida_phonopy.workflows.phono3py: Phono3pyWorkChain",
"phonopy.iter_ha = aiida_phonopy.workflows.iter_ha: IterHarmonicApprox"
]
},
"url": "https://github.com/aiida-phonopy/aiida-phonopy"
}