setup.json

{
    "version": "0.1",
    "name": "water_isotherm_workchains",
    "author": "Kevin M. Jablonka, Daniele Ongari",
    "author_email": "kevin.jablonka@epfl.ch",
    "description": "AiiDA workflows for advanced sampling of isotherms",
    "url": "https://github.com/kjappelbaum/water_isotherm_workchains",
    "license": "MIT License",
    "classifiers": [
        "Programming Language :: Python"
    ],
    "setup_requires": ["reentry"],
    "reentry_register": true,
    "install_requires": [
        "aiida >= 0.12.2"
    ],
    "entry_points": {
        "aiida.workflows": [
            "water_isotherm_workchains.gcmc_md_workchain=water_isotherm_workchains.gcmc_md_workchain:GCMCMD",
          "water_isotherm_workchains.gcmc_restart_workchain=water_isotherm_workchains.gcmc_restart_workchain:ResubmitGCMC",
            "water_isotherm_workchains.gcmc_md_cycle_dist_workchain=water_isotherm_workchains.gcmc_md_cycle_dist_workchain:GCMCMD2"
        ]
    }
}