setup.json

{
  "name": "aiida-lammps",
  "version": "0.4.1b3",
  "description": "AiiDA plugin for LAMMPS",
  "url": "https://github.com/abelcarreras/aiida-lammps",
  "author": "Abel Carreras",
  "author_email": "abelcarreras83@gmail.com",
  "license": "MIT license",
  "install_requires": [
    "aiida-core==1.0.0b3",
    "numpy",
    "packaging",
    "python-dateutil",
    "jsonschema",
    "six",
    "ase>=3.12.0,<4.0.0"
  ],
  "reentry_register": true,
  "include_package_data": true,
  "entry_points": {
    "aiida.calculations": [
      "lammps.combinate = aiida_lammps.calculations.lammps.combinate:CombinateCalculation",
      "lammps.force = aiida_lammps.calculations.lammps.force:ForceCalculation",
      "lammps.md = aiida_lammps.calculations.lammps.md:MdCalculation",
      "lammps.optimize = aiida_lammps.calculations.lammps.optimize:OptimizeCalculation",
      "lammps = aiida_lammps.calculation.lammps.template:TemplateCalculation",
      "dynaphopy = aiida_lammps.calculations.dynaphopy: DynaphopyCalculation"
    ],
    "aiida.parsers": [
      "lammps.force = aiida_lammps.parsers.lammps.force:ForceParser",
      "lammps.md = aiida_lammps.parsers.lammps.md:MdParser",
      "lammps.optimize = aiida_lammps.parsers.lammps.optimize:OptimizeParser",
      "dynaphopy = aiida_lammps.parsers.dynaphopy: DynaphopyParser"
    ],
    "aiida.data": [
      "lammps.potential = aiida_lammps.data.potential:EmpiricalPotential"
    ],
    "aiida.workflows": [
      "lammps.base = aiida_lammps.calculation.lammps.template:TemplateWorkChain"
    ],
    "lammps.potentials": [
      "eam =  aiida_lammps.data.potential.eam",
      "lennard_jones =  aiida_lammps.data.potential.lennard_jones",
      "reaxff =  aiida_lammps.data.potential.reaxff",
      "tersoff =  aiida_lammps.data.potential.tersoff"
    ]
  },
  "extras_require": {
    "testing": [
      "mock==2.0.0",
      "pgtest==1.2.0",
      "sqlalchemy-diff==0.1.3",
      "pytest==3.6.3",
      "pytest-cov",
      "pytest-timeout",
      "pytest-regressions",
      "wheel>=0.31"
    ],
    "code_style": [
      "flake8<3.8.0,>=3.7.0"
    ],
    "phonopy": [
      "dynaphopy"
    ]
  }
}