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setup.json
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setup.json
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{
"name": "aiida-cusp",
"version": "0.1.0b2",
"author": "Andreas Stamminger",
"author_email": "[email protected]",
"classifiers": [
"Development Status :: 4 - Beta",
"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",
"Environment :: Plugins",
"Framework :: AiiDA"
],
"description": "Custodian based VASP Plugin for AiiDA",
"long_description_content_type": "text/markdown",
"url": "https://github.com/astamminger/aiida-cusp",
"license": "MIT License",
"reentry_register": true,
"entry_points": {
"aiida.data": [
"cusp.kpoints = aiida_cusp.data.inputs.vasp_kpoint:VaspKpointData",
"cusp.poscar = aiida_cusp.data.inputs.vasp_poscar:VaspPoscarData",
"cusp.incar = aiida_cusp.data.inputs.vasp_incar:VaspIncarData",
"cusp.potcar = aiida_cusp.data.inputs.vasp_potcar:VaspPotcarData",
"cusp.vasprun = aiida_cusp.data.outputs.vasp_vasprun:VaspVasprunData",
"cusp.outcar = aiida_cusp.data.outputs.vasp_outcar:VaspOutcarData",
"cusp.contcar = aiida_cusp.data.outputs.vasp_contcar:VaspContcarData",
"cusp.chgcar = aiida_cusp.data.outputs.vasp_chgcar:VaspChgcarData",
"cusp.wavecar = aiida_cusp.data.outputs.vasp_wavecar:VaspWavecarData",
"cusp.generic = aiida_cusp.data.outputs.vasp_generic:VaspGenericData",
"cusp.potcarfile = aiida_cusp.data.inputs.vasp_potcar:VaspPotcarFile"
],
"aiida.calculations": [
"cusp.vasp = aiida_cusp.calculators.vasp_calculation:VaspCalculation"
],
"aiida.parsers": [
"cusp.default = aiida_cusp.parsers.vasp_file_parser:VaspFileParser"
],
"aiida.cmdline.data": [
"potcar = aiida_cusp.cli.potcar_cmd:potcar"
]
},
"install_requires": [
"aiida-core>=2.0.1,<3",
"custodian>=2021.1.7",
"pymatgen>=2022.0.0",
"ase"
],
"extras_require": {
"docs": [
"sphinx",
"markupsafe<=2.0.1",
"sphinx_rtd_theme"
],
"develop": [
"pre-commit",
"pytest",
"pytest-cov",
"pgtest"
]
}
}