setup.json

{
    "name": "aiida-ce",
    "author": "unkcpz",
    "author_email": "morty.yu@yahoo.com",
    "description": "AiiDA plugin for running cluster expansion using icet.",
    "url": "https://github.com/unkcpz/aiida-ce",
    "license": "MIT",
    "classifiers": [
        "Programming Language :: Python",
        "Intended Audience :: Science/Research",
        "License :: OSI Approved :: MIT License",
        "Natural Language :: English",
        "Framework :: AiiDA",
        "Operating System :: POSIX :: Linux",
        "Operating System :: MacOS :: MacOS X",
        "Programming Language :: Python",
        "Programming Language :: Python :: 3.7",
        "Programming Language :: Python :: 3.8",
        "Programming Language :: Python :: 3.9"
    ],
    "version": "0.1.0",
    "entry_points": {
        "aiida.data": [
            "structure_db = aiida_ce.data.structure_db:StructureDbData",
            "cluster_space = aiida_ce.data.cluster:ClusterSpaceData",
            "cluster_expansion = aiida_ce.data.cluster:ClusterExpansionData"
        ],
        "aiida.calculations": [
            "atat.mcsqs = aiida_ce.calculations.mcsqs:AtatMcsqsCalculation"
        ],
        "aiida.parsers": [
            "atat.mcsqs = aiida_ce.parsers.mcsqs:AtatMcsqsParser"
        ],
        "aiida.workflows": [
            "construct_ce = aiida_ce.workflows.create_ce:ConstructClusterExpansion",
            "icet.mcsqs = aiida_ce.workflows.sqs:IcetMcsqsWorkChain"
        ]
    },
    "include_package_data": true,
    "setup_requires": ["reentry"],
    "reentry_register": true,
    "install_requires": [
        "aiida-core>=1.5.0,<2.0.0",
        "icet~=1.4",
        "ase~=3.21"
    ],
    "extras_require": {
        "tests": [
            "pgtest~=1.3",
            "pytest~=6.0",
            "pytest-regressions~=2.2"
        ],
        "pre-commit": [
            "pre-commit~=2.2",
            "pylint~=2.6.0"
        ],
        "docs": [
            "sphinx",
            "sphinxcontrib-contentui",
            "sphinxcontrib-details-directive; python_version>='3.0'",
            "sphinx-rtd-theme"
        ]
    }
}