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setup.json
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{
"version": "0.0.1",
"name": "aiida-siesta-barrier",
"url": "https://github.com/siesta-project/aiida-siesta-barrier",
"keywords": ["aiida", "siesta", "dft"],
"license": "MIT License",
"author": "Alberto Garcia, Emanuele Bosoni, Arsalan Akhtar",
"author_email": "[email protected]",
"description": "Collects aiida workflows for energy barrier calculations. Requires aiida-siesta",
"classifiers": [
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3.7",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Development Status :: 3 - Alpha",
"Framework :: AiiDA"
],
"install_requires": [
"aiida-siesta>=1.3.0"
],
"extras_require": {
"dev": [
"pre-commit~=2.3",
"prospector==1.3.1",
"pylint~=2.5",
"pgtest~=1.3,>=1.3.1",
"pytest~=6.0",
"pytest-regressions~=1.0"
],
"docs": [
"Sphinx",
"docutils",
"sphinx_rtd_theme",
"sphinx-copybutton"
]
},
"entry_points": {
"aiida.workflows": [
"siesta.barrier.exchange = aiida_siesta_barrier.workflows.exchange_barrier:ExchangeBarrierWorkChain",
"siesta.barrier.vacancy_exchange = aiida_siesta_barrier.workflows.vacancy_exchange_barrier:VacancyExchangeBarrierWorkChain",
"siesta.barrier.interstitial = aiida_siesta_barrier.workflows.interstitial_barrier:InterstitialBarrierWorkChain"
]
}
}