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setup.json
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setup.json
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{
"name": "aiida-qeq",
"author": "Leopold Talirz, Daniele Ongari",
"author_email": "[email protected]",
"description": "AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).",
"url": "https://github.com/lsmo-epfl/aiida-qeq",
"license": "MIT",
"classifiers": [
"Programming Language :: Python",
"Framework :: AiiDA"
],
"version": "1.0.0a1",
"entry_points": {
"aiida.data": [
"qeq.eqeq = aiida_qeq.data.eqeq:EQeqParameters",
"qeq.qeq = aiida_qeq.data.qeq:QeqParameters"
],
"aiida.calculations": [
"qeq.eqeq = aiida_qeq.calculations.eqeq:EQeqCalculation",
"qeq.qeq = aiida_qeq.calculations.qeq:QeqCalculation"
],
"aiida.parsers": [
"qeq.eqeq = aiida_qeq.parsers.eqeq:EQeqParser",
"qeq.qeq = aiida_qeq.parsers.qeq:QeqParser"
]
},
"setup_requires": ["reentry"],
"reentry_register": true,
"install_requires": [
"aiida-core>=1.0,<2.0.0",
"voluptuous"
],
"extras_require": {
"testing": [
"pgtest==1.2.0",
"pytest~=6.1",
"pytest-cov~=2.10",
"PyCIFRW~=4.4",
"aiida-testing @ git+https://github.com/ltalirz/aiida-testing@6b3c2ae023157e73563630aaf24d8337c348b74b#egg=aiida-testing"
],
"pre-commit": [
"pre-commit~=2.2",
"pylint~=2.6.0"
],
"docs": [
"sphinx"
]
}
}