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setup.json
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setup.json
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{
"author": "Rico H\u00e4uselmann",
"author_email": "haeuselm@epfl.ch",
"classifiers": [
"Development Status :: 3 - Alpha",
"Environment :: Plugins",
"Framework :: AiiDA",
"Intended Audience :: Science/Research",
"License :: OSI Approved :=MIT License",
"Programming Language :: Python :=2.7",
"Topic :: Scientific/Engineering :=Physics"
],
"description": "AiiDA Plugin for running VASP calculations.",
"entry_points": {
"aiida.calculations": [
"vasp.vasp = aiida_vasp.calcs.vasp:VaspCalculation",
"vasp.vasp2w90 = aiida_vasp.calcs.vasp2w90:Vasp2w90Calculation"
],
"aiida.cmdline.data": [
"vasp.paw = aiida_vasp.commands.paw:_Paw"
],
"aiida.data": [
"vasp.archive = aiida_vasp.data.archive:ArchiveData",
"vasp.chargedensity = aiida_vasp.data.chargedensity:ChargedensityData",
"vasp.paw = aiida_vasp.data.paw:PawData",
"vasp.wavefun = aiida_vasp.data.wavefun:WavefunData"
],
"aiida.parsers": [
"vasp.vasp = aiida_vasp.parsers.vasp:VaspParser",
"vasp.vasp2w90 = aiida_vasp.parsers.vasp2w90:Vasp2w90Parser"
],
"aiida.workflows": [
"vasp.scf = aiida_vasp.workflows.scf:ScfWorkflow",
"vasp.nscf = aiida_vasp.workflows.nscf:NscfWorkflow",
"vasp.projections = aiida_vasp.workflows.projections:ProjectionsWorkflow",
"vasp.autowindows = aiida_vasp.workflows.autowindows:AutowindowsWorkflow",
"vasp.wannier = aiida_vasp.workflows.wannier:WannierWorkflow",
"vasp.windows = aiida_vasp.workflows.windows:WindowsWorkflow"
]
},
"extras_require": {
"dev": [
"pre-commit",
"prospector",
"pylint",
"flake8",
"yapf",
"coverage",
"pytest",
"pytest-cov",
"pgtest >= 1.1.0",
"packaging"
],
"graphs": [
"matplotlib"
],
"regen_default_paws": [
"lxml"
],
"test": [
"aiida-pytest"
],
"wannier": [
"aiida-wannier90"
]
},
"include_package_data": true,
"install_requires": [
"aiida-core[atomic_tools]",
"ase",
"scipy < 1.0.0",
"pymatgen",
"subprocess32",
"click",
"chainmap",
"six",
"pyparsing"
],
"keywords": "vasp aiida wannier90 workflows",
"license": "MIT License, see LICENSE.txt file.",
"name": "aiida-vasp",
"reentry_register": true,
"scripts": [
"utils/runwf.py"
],
"setup_requires": [
"reentry"
],
"url": "https://github.com/DropD/aiida-vasp",
"version": "0.1.0"
}