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setup.json
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setup.json
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{
"version": "Dev-post1.1.1",
"name": "aiida-siesta",
"url": "https://github.com/albgar/aiida_siesta_plugin",
"keywords": ["aiida", "siesta", "dft"],
"license": "MIT License",
"author": "Alberto Garcia, Victor M. Garcia-Suarez, Emanuele Bosoni, Vladimir Dikan, Pol Febrer",
"author_email": "[email protected]",
"description": "A plugin for Siesta's basic functionality within the AiiDA framework.",
"classifiers": [
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Programming Language :: Python :: 3.8",
"Development Status :: 5 - Production/Stable",
"Framework :: AiiDA"
],
"install_requires": [
"aiida_core>=1.3.0,<2.0.0",
"ase~=3.18",
"seekpath~=1.9,>=1.9.3"
],
"extras_require": {
"dev": [
"pre-commit==2.3.0",
"prospector==1.2.0",
"yapf==0.28.0",
"pylint==2.4.4",
"pgtest==1.3.1",
"pytest==5.4.1",
"pytest-regressions==1.0.6"
],
"docs": [
"Sphinx",
"docutils",
"sphinx_rtd_theme",
"sphinx-copybutton"
]
},
"entry_points": {
"aiida.calculations": [
"siesta.siesta = aiida_siesta.calculations.siesta:SiestaCalculation",
"siesta.stm = aiida_siesta.calculations.stm:STMCalculation"
],
"aiida.parsers": [
"siesta.parser = aiida_siesta.parsers.siesta:SiestaParser",
"siesta.stm = aiida_siesta.parsers.stm:STMParser"
],
"aiida.workflows": [
"siesta.base = aiida_siesta.workflows.base:SiestaBaseWorkChain",
"siesta.eos = aiida_siesta.workflows.eos:EqOfStateFixedCellShape",
"siesta.bandgap = aiida_siesta.workflows.bandgap:BandgapWorkChain",
"siesta.stm = aiida_siesta.workflows.stm:SiestaSTMWorkChain",
"siesta.iterator = aiida_siesta.workflows.iterate:SiestaIterator",
"siesta.converger = aiida_siesta.workflows.converge:SiestaConverger",
"siesta.sequential_converger = aiida_siesta.workflows.converge:SiestaSequentialConverger"
],
"aiida.data": [
"siesta.psf = aiida_siesta.data.psf:PsfData",
"siesta.psml = aiida_siesta.data.psml:PsmlData"
],
"aiida.cmdline.data": [
"psf = aiida_siesta.commands.data_psf:psfdata",
"psml = aiida_siesta.commands.data_psml:psmldata"
],
"aiida.groups": [
"data.psf.family = aiida_siesta.groups.pseudos:PsfFamily",
"data.psml.family = aiida_siesta.groups.pseudos:PsmlFamily"
]
}
}