setup.json

{
    "name": "mpds-aiida",
    "author": "Andrey Sobolev",
    "author_email": "as@tilde.pro",
    "description": "Aiida workflows for MPDS based on CRYSTAL",
    "url": "https://github.com/mpds-io/mpds-aiida",
    "license": "MIT",
    "classifiers": [
        "Programming Language :: Python",
        "Programming Language :: Python :: 3.5",
        "Programming Language :: Python :: 3.6",
        "Programming Language :: Python :: 3.7",
        "Programming Language :: Python :: 3.8",
        "Programming Language :: Python :: 3.9",
        "Topic :: Scientific/Engineering",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Topic :: Scientific/Engineering :: Physics",
        "Topic :: Scientific/Engineering :: Information Analysis",
        "Framework :: AiiDA"
    ],
    "entry_points": {
        "aiida.workflows": [
            "crystal.mpds = mpds_aiida.workflows.mpds:MPDSStructureWorkchain",
            "crystal.cif = mpds_aiida.workflows.cif:CIFStructureWorkchain",
            "crystal.aiida = mpds_aiida.workflows.aiida:AiidaStructureWorkchain"
        ]
    },
    "include_package_data": true,
    "setup_requires": ["reentry"],
    "reentry_register": true,
    "install_requires": [
        "aiida-core>=1.0.1",
        "mpds_client"
    ],
    "package_data": {
        "mpds_aiida": [
            "calc_templates/*"
        ]
    },
    "python_requires": ">=3.5"
}