setup.json

{
  "name": "aiida-gulp",
  "author": "Chris Sewell",
  "author_email": "chrisj_sewell@hotmail.com",
  "description": "AiiDA plugin for running the GULP MD code",
  "url": "https://github.com/chrisjsewell/aiida-gulp",
  "license": "MIT",
  "classifiers": [
    "Programming Language :: Python",
    "Programming Language :: Python :: 2.7",
    "Programming Language :: Python :: 3.6",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Physics",
    "Framework :: AiiDA"
  ],
  "version": "0.10.0b5",
  "entry_points": {
    "console_scripts": [
      "gulp_mock = aiida_gulp.tests.mock_gulp:main"
    ],
    "aiida.data": [
      "gulp.symmetry = aiida_gulp.data.symmetry:SymmetryData",
      "gulp.potential = aiida_gulp.data.potential:EmpiricalPotential"
    ],
    "aiida.calculations": [
      "gulp.single = aiida_gulp.calculations.gulp_single:GulpSingleCalculation",
      "gulp.optimize = aiida_gulp.calculations.gulp_optimize:GulpOptCalculation",
      "gulp.fitting = aiida_gulp.calculations.gulp_fitting:GulpFittingCalculation"
    ],
    "aiida.parsers": [
      "gulp.single = aiida_gulp.parsers.parse_single:GulpSingleParser",
      "gulp.optimize = aiida_gulp.parsers.parse_opt:GulpOptParser",
      "gulp.fitting = aiida_gulp.parsers.parse_fitting:GulpFittingParser"
    ],
    "aiida.workflows": [
    ],
    "aiida.cmdline.data": [
      "gulp.potentials = aiida_gulp.cmndline.potentials:potentials"
    ],
    "gulp.potentials": [
      "reaxff = aiida_gulp.potentials.reaxff:PotentialWriterReaxff",
      "lj =  aiida_gulp.potentials.lj:PotentialWriterLJ"
    ]
  },
  "include_package_data": true,
  "reentry_register": true,
  "install_requires": [
    "aiida-core==1.0.0b5",
    "six >=1.12.0",
    "ruamel.yaml",
    "jsonextended>=0.7.10",
    "jsonschema",
    "spglib>=1.10.0,<2.0.0",
    "ase>=3.12.0,<3.18.0; python_version < '3'",
    "ase>=3.12.0,<4.0.0; python_version >= '3'",
    "PyCifRW==4.2.1; python_version < '3'",
    "PyCifRW==4.4; python_version >= '3'",
    "pathlib2; python_version < '3.4'",
    "importlib_resources"
  ],
  "extras_require": {
    "testing": [
      "mock==2.0.0",
      "pgtest==1.2.0",
      "sqlalchemy-diff==0.1.3",
      "pytest==3.6.3",
      "wheel>=0.31",
      "coverage",
      "pytest-cov",
      "pytest-timeout",
      "pytest-regressions",
      "pytest-notebook; python_version >= '3.5'"
    ],
    "code_style": [
      "black==19.3b0",
      "flake8<3.8.0,>=3.7.0",
      "pre-commit==1.17.0",
      "doc8<0.9.0,>=0.8.0"
    ],
    "docs": [
      "sphinx>=1.6",
      "ipypublish>=0.10.7"
    ]
  }
}