setup.json

{
    "name": "aiida-gaussian-datatypes",
    "author": "Tiziano Müller",
    "author_email": "tiziano.mueller@chem.uzh.ch",
    "description": "AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens",
    "url": "https://github.com/dev-zero/aiida-gaussian-datatypes",
    "license": "MIT License",
    "classifiers": [
        "Programming Language :: Python :: 3.6",
        "Programming Language :: Python :: 3.7",
        "Programming Language :: Python :: 3.8",
        "Programming Language :: Python :: 3.9",
        "Development Status :: 4 - Beta",
        "License :: OSI Approved :: MIT License",
        "Operating System :: OS Independent",
        "Topic :: Software Development :: Libraries :: Python Modules",
        "Topic :: Scientific/Engineering :: Chemistry",
        "Intended Audience :: Science/Research",
        "Framework :: AiiDA"
    ],
    "version": "0.4.0",
    "entry_points": {
        "aiida.data": [
            "gaussian.basisset = aiida_gaussian_datatypes.basisset.data:BasisSet",
            "gaussian.pseudo = aiida_gaussian_datatypes.pseudopotential.data:Pseudopotential"
        ],
        "aiida.cmdline.data": [
            "gaussian.basisset = aiida_gaussian_datatypes.basisset.cli:cli",
            "gaussian.pseudo = aiida_gaussian_datatypes.pseudopotential.cli:cli"
        ],
        "aiida.groups": [
            "gaussian.basisset = aiida_gaussian_datatypes.groups:BasisSetGroup",
            "gaussian.pseudo = aiida_gaussian_datatypes.groups:PseudopotentialGroup"
        ]
    },
    "scripts": [],
    "reentry_register": true,
    "install_requires": [
        "pydantic >= 1.8.1",
        "aiida-core >= 1.6.2",
        "cp2k-input-tools >= 0.7.3"
    ],
    "extras_require": {
        "testing": [
            "pytest~=6.0",
            "pytest-cov",
            "codecov>=2.0.15",
            "pgtest~=1.3,>=1.3.1"
        ],
        "pre-commit": [
            "pre-commit >= 2.0.1"
        ],
        "docs": [
            "sphinx",
            "sphinx-click >= 2.2.0",
            "sphinxcontrib-contentui",
            "sphinxcontrib-details-directive; python_version>='3.0'",
            "sphinx-rtd-theme"
        ]
    }
}