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setup.json
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setup.json
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{
"name": "aiida-matdis",
"author": "Pezhman Zarabadi-Poor",
"author_email": "[email protected]",
"description": "Collection of AiiDA WorkChains for Material Discovery Studies",
"url": "https://github.com/pzarabadip/aiida-matdis",
"license": "MIT License",
"classifiers": [
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7"
],
"version": "1.0.0",
"setup_requires": ["reentry"],
"reentry_register": true,
"install_requires": [
"aiida-core>=1.1.0,<2.0.0"
],
"entry_points": {
"aiida.calculations": [
"matdis.ff_builder = aiida_matdis.aide_de_camp:ff_builder"
],
"aiida.workflows": [
"matdis.vlcc = aiida_matdis.workchains:VLCCWorkChain",
"matdis.multi_comp_isotherm = aiida_matdis.workchains:MultiCompIsothermWorkChain",
"matdis.voronoi_energy = aiida_matdis.workchains:VoronoiEnergyWorkChain",
"matdis.hts = aiida_matdis.workchains:HTSWorkChain",
"matdis.hts_ev = aiida_matdis.workchains:HTSEvWorkChain",
"matdis.hts_multiT = aiida_matdis.workchains:HTSMultiTempWorkChain"
]
},
"data_files": [
[".", ["setup.json"]]
],
"extras_require": {
"testing": [
"pytest==4.4.1"
],
"pre-commit": [
"pre-commit==1.17.0",
"yapf==0.28.0",
"prospector==1.1.7",
"pylint==2.3.1"
]
}
}