{
    "name": "aiida-core",
    "version": "1.5.2",
    "url": "http://www.aiida.net/",
    "license": "MIT License",
    "author": "The AiiDA team",
    "author_email": "developers@aiida.net",
    "description": "AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.",
    "include_package_data": true,
    "python_requires": ">=3.6",
    "classifiers": [
        "Framework :: AiiDA",
        "License :: OSI Approved :: MIT License",
        "Operating System :: POSIX :: Linux",
        "Operating System :: MacOS :: MacOS X",
        "Programming Language :: Python",
        "Programming Language :: Python :: 3.6",
        "Programming Language :: Python :: 3.7",
        "Programming Language :: Python :: 3.8",
        "Programming Language :: Python :: 3.9",
        "Topic :: Scientific/Engineering"
    ],
    "install_requires": [
        "aldjemy~=0.9.1",
        "alembic~=1.2",
        "archive-path~=0.2.1",
        "aio-pika~=6.6",
        "circus~=0.17.1",
        "click-completion~=0.5.1",
        "click-config-file~=0.6.0",
        "click-spinner~=0.1.8",
        "click~=7.0",
        "dataclasses~=0.7; python_version < '3.7.0'",
        "django~=2.2",
        "ete3~=3.1",
        "graphviz~=0.13",
        "ipython~=7.0",
        "jinja2~=2.10",
        "kiwipy[rmq]~=0.7.1",
        "numpy~=1.17",
        "pamqp~=2.3",
        "paramiko~=2.7",
        "plumpy~=0.18.1",
        "pgsu~=0.1.0",
        "psutil~=5.6",
        "psycopg2-binary~=2.8,>=2.8.3",
        "python-dateutil~=2.8",
        "pytz~=2019.3",
        "pyyaml~=5.1.2",
        "reentry~=1.3",
        "simplejson~=3.16",
        "sqlalchemy-utils~=0.34.2",
        "sqlalchemy~=1.3,>=1.3.10",
        "tabulate~=0.8.5",
        "tqdm~=4.45",
        "tzlocal~=2.0",
        "upf_to_json~=0.9.2",
        "wrapt~=1.11.1"
    ],
    "extras_require": {
        "ssh_kerberos": [
            "gssapi~=1.6",
            "pyasn1~=0.4.8"
        ],
        "rest": [
            "flask-cors~=3.0",
            "flask-restful~=0.3.7",
            "flask~=1.1",
            "pyparsing~=2.4",
            "python-memcached~=1.59",
            "seekpath~=1.9,>=1.9.3"
        ],
        "docs": [
            "docutils==0.15.2",
            "pygments~=2.5",
            "pydata-sphinx-theme~=0.4.0",
            "sphinx~=3.2.1",
            "sphinxcontrib-details-directive~=0.1.0",
            "sphinx-panels~=0.5.0",
            "sphinx-copybutton~=0.3.0",
            "sphinx-notfound-page~=0.5",
            "sphinxext-rediraffe~=0.2.4"
        ],
        "atomic_tools": [
            "PyCifRW~=4.4",
            "ase~=3.18",
            "pymatgen>=2019.7.2",
            "pymysql~=0.9.3",
            "seekpath~=1.9,>=1.9.3",
            "spglib~=1.14"
        ],
        "notebook": [
            "jupyter~=1.0",
            "notebook~=6.1,>=6.1.5"
        ],
        "pre-commit": [
            "mypy==0.790",
            "packaging==20.3",
            "pre-commit~=2.2",
            "pylint~=2.5.0",
            "pylint-django>=2.0,<2.4.0",
            "tomlkit~=0.7.0"
        ],
        "tests": [
            "aiida-export-migration-tests==0.9.0",
            "pg8000~=1.13",
            "pgtest~=1.3,>=1.3.1",
            "pytest~=6.0",
            "pytest-asyncio~=0.12",
            "pytest-timeout~=1.3",
            "pytest-cov~=2.7",
            "pytest-rerunfailures~=9.1,>=9.1.1",
            "pytest-benchmark~=3.2",
            "coverage<5.0",
            "sqlalchemy-diff~=0.1.3"
        ],
        "bpython": [
            "bpython~=0.18.0"
        ]
    },
    "reentry_register": true,
    "entry_points": {
        "console_scripts": [
            "verdi=aiida.cmdline.commands.cmd_verdi:verdi",
            "runaiida=aiida.cmdline.commands.cmd_run:run"
        ],
        "aiida.calculations": [
            "core.transfer = aiida.calculations.transfer:TransferCalculation",
            "arithmetic.add = aiida.calculations.arithmetic.add:ArithmeticAddCalculation",
            "templatereplacer = aiida.calculations.templatereplacer:TemplatereplacerCalculation"
        ],
        "aiida.cmdline.computer.configure": [
            "local = aiida.transports.plugins.local:CONFIGURE_LOCAL_CMD",
            "ssh = aiida.transports.plugins.ssh:CONFIGURE_SSH_CMD"
        ],
        "aiida.cmdline.data": [
            "array = aiida.cmdline.commands.cmd_data.cmd_array:array",
            "bands = aiida.cmdline.commands.cmd_data.cmd_bands:bands",
            "cif = aiida.cmdline.commands.cmd_data.cmd_cif:cif",
            "dict = aiida.cmdline.commands.cmd_data.cmd_dict:dictionary",
            "remote = aiida.cmdline.commands.cmd_data.cmd_remote:remote",
            "singlefile = aiida.cmdline.commands.cmd_data.cmd_singlefile:singlefile",
            "structure = aiida.cmdline.commands.cmd_data.cmd_structure:structure",
            "trajectory = aiida.cmdline.commands.cmd_data.cmd_trajectory:trajectory",
            "upf = aiida.cmdline.commands.cmd_data.cmd_upf:upf"
        ],
        "aiida.data": [
            "array = aiida.orm.nodes.data.array.array:ArrayData",
            "array.bands = aiida.orm.nodes.data.array.bands:BandsData",
            "array.kpoints = aiida.orm.nodes.data.array.kpoints:KpointsData",
            "array.projection = aiida.orm.nodes.data.array.projection:ProjectionData",
            "array.trajectory = aiida.orm.nodes.data.array.trajectory:TrajectoryData",
            "array.xy = aiida.orm.nodes.data.array.xy:XyData",
            "base = aiida.orm.nodes.data:BaseType",
            "bool = aiida.orm.nodes.data.bool:Bool",
            "cif = aiida.orm.nodes.data.cif:CifData",
            "code = aiida.orm.nodes.data.code:Code",
            "dict = aiida.orm.nodes.data.dict:Dict",
            "float = aiida.orm.nodes.data.float:Float",
            "folder = aiida.orm.nodes.data.folder:FolderData",
            "int = aiida.orm.nodes.data.int:Int",
            "list = aiida.orm.nodes.data.list:List",
            "numeric = aiida.orm.nodes.data.numeric:NumericType",
            "orbital = aiida.orm.nodes.data.orbital:OrbitalData",
            "remote = aiida.orm.nodes.data.remote:RemoteData",
            "singlefile = aiida.orm.nodes.data.singlefile:SinglefileData",
            "str = aiida.orm.nodes.data.str:Str",
            "structure = aiida.orm.nodes.data.structure:StructureData",
            "upf = aiida.orm.nodes.data.upf:UpfData"
        ],
        "aiida.groups": [
            "core = aiida.orm.groups:Group",
            "core.auto = aiida.orm.groups:AutoGroup",
            "core.import = aiida.orm.groups:ImportGroup",
            "core.upf = aiida.orm.groups:UpfFamily"
        ],
        "aiida.node": [
            "data = aiida.orm.nodes.data.data:Data",
            "process = aiida.orm.nodes.process.process:ProcessNode",
            "process.calculation = aiida.orm.nodes.process.calculation.calculation:CalculationNode",
            "process.calculation.calcfunction = aiida.orm.nodes.process.calculation.calcfunction:CalcFunctionNode",
            "process.calculation.calcjob = aiida.orm.nodes.process.calculation.calcjob:CalcJobNode",
            "process.workflow = aiida.orm.nodes.process.workflow.workflow:WorkflowNode",
            "process.workflow.workchain = aiida.orm.nodes.process.workflow.workchain:WorkChainNode",
            "process.workflow.workfunction = aiida.orm.nodes.process.workflow.workfunction:WorkFunctionNode"
        ],
        "aiida.parsers": [
            "arithmetic.add = aiida.parsers.plugins.arithmetic.add:ArithmeticAddParser",
            "templatereplacer.doubler = aiida.parsers.plugins.templatereplacer.doubler:TemplatereplacerDoublerParser"
        ],
        "aiida.schedulers": [
            "direct = aiida.schedulers.plugins.direct:DirectScheduler",
            "lsf = aiida.schedulers.plugins.lsf:LsfScheduler",
            "pbspro = aiida.schedulers.plugins.pbspro:PbsproScheduler",
            "sge = aiida.schedulers.plugins.sge:SgeScheduler",
            "slurm = aiida.schedulers.plugins.slurm:SlurmScheduler",
            "torque = aiida.schedulers.plugins.torque:TorqueScheduler"
        ],
        "aiida.transports": [
            "local = aiida.transports.plugins.local:LocalTransport",
            "ssh = aiida.transports.plugins.ssh:SshTransport"
        ],
        "aiida.tools.calculations": [],
        "aiida.tools.dbexporters": [],
        "aiida.tools.dbimporters": [
            "cod = aiida.tools.dbimporters.plugins.cod:CodDbImporter",
            "icsd = aiida.tools.dbimporters.plugins.icsd:IcsdDbImporter",
            "materialsproject = aiida.tools.dbimporters.plugins.materialsproject:MaterialsProjectImporter",
            "mpds = aiida.tools.dbimporters.plugins.mpds:MpdsDbImporter",
            "mpod = aiida.tools.dbimporters.plugins.mpod:MpodDbImporter",
            "nninc = aiida.tools.dbimporters.plugins.nninc:NnincDbImporter",
            "oqmd = aiida.tools.dbimporters.plugins.oqmd:OqmdDbImporter",
            "pcod = aiida.tools.dbimporters.plugins.pcod:PcodDbImporter",
            "tcod = aiida.tools.dbimporters.plugins.tcod:TcodDbImporter"
        ],
        "aiida.tools.data.orbitals": [
            "orbital = aiida.tools.data.orbital.orbital:Orbital",
            "realhydrogen = aiida.tools.data.orbital.realhydrogen:RealhydrogenOrbital"
        ],
        "aiida.workflows": [
            "arithmetic.multiply_add = aiida.workflows.arithmetic.multiply_add:MultiplyAddWorkChain",
            "arithmetic.add_multiply = aiida.workflows.arithmetic.add_multiply:add_multiply"
        ]
    }
}