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setup.json
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setup.json
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{
"name": "aiida-kkr",
"author": "Philipp Ruessmann, Jens Broeder, Fabian Bertoldo",
"author_email": "[email protected]",
"description": "AiiDA plugin for the KKR code",
"url": "https://github.com/JuDFTteam/aiida-kkr",
"download_url": "https://github.com/JuDFTteam/aiida-kkr",
"license": "MIT",
"classifiers": [
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 2.7",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.5",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Development Status :: 4 - Beta",
"Environment :: Plugins",
"Intended Audience :: Science/Research",
"Topic :: Scientific/Engineering :: Physics",
"Natural Language :: English",
"Framework :: AiiDA"
],
"version": "1.1.10",
"reentry_register": true,
"install_requires": [
"aiida-core >= 1.0.0b6,<2.0.0",
"masci-tools >= 0.3.10",
"seekpath >= 1.9.2",
"pgtest >= 1.3.0",
"pytest-cov >= 2.5.0",
"pytest-mpl>=0.10",
"pytest-timeout>=1.3.3",
"Sphinx==1.8.2",
"sphinx_rtd_theme==0.4.2",
"ase<=3.17.0",
"bump2version >= 0.5.10"
],
"extras_require": {
"pre-commit": [
"pre-commit==1.11.0",
"yapf==0.24.0",
"prospector==0.12.11",
"pylint==1.9.3"
]
},
"entry_points": {
"aiida.calculations": [
"kkr.kkr = aiida_kkr.calculations.kkr:KkrCalculation",
"kkr.kkrimporter = aiida_kkr.calculations.kkrimporter:KkrImporterCalculation",
"kkr.voro = aiida_kkr.calculations.voro:VoronoiCalculation",
"kkr.kkrimp = aiida_kkr.calculations.kkrimp:KkrimpCalculation"
],
"aiida.parsers": [
"kkr.voroparser = aiida_kkr.parsers.voro:VoronoiParser",
"kkr.kkrparser = aiida_kkr.parsers.kkr:KkrParser",
"kkr.kkrimporterparser = aiida_kkr.parsers.kkrimporter:KkrImporterParser",
"kkr.kkrimpparser = aiida_kkr.parsers.kkrimp:KkrimpParser"
],
"aiida.data": [
"kkr.kkrstructure = aiida_kkr.data.kkrstructure:KkrstructureData"
],
"aiida.workflows":[
"kkr.scf = aiida_kkr.workflows.kkr_scf:kkr_scf_wc",
"kkr.dos = aiida_kkr.workflows.dos:kkr_dos_wc",
"kkr.eos = aiida_kkr.workflows.eos:kkr_eos_wc",
"kkr.startpot = aiida_kkr.workflows.voro_start:kkr_startpot_wc",
"kkr.check_mag = aiida_kkr.workflows.check_magnetic_state:kkr_check_mag_wc",
"kkr.convergence_check = aiida_kkr.workflows.check_para_convergence:kkr_check_para_wc",
"kkr.gf_writeout = aiida_kkr.workflows.gf_writeout:kkr_flex_wc",
"kkr.imp_sub = aiida_kkr.workflows.kkr_imp_sub:kkr_imp_sub_wc",
"kkr.imp = aiida_kkr.workflows.kkr_imp:kkr_imp_wc"
],
"console_scripts": [
"kkrstructure = aiida_kkr.cmdline.data_cli:cli"
]
}
}