setup_requirements.py

# Requirements for core AiiDA functionalities
install_requires = [
    'pip==9.0.1',
    'setuptools==34.1.0',
    'wheel==0.29.0',
    'python-dateutil==2.6.0',
    'python-mimeparse==0.1.4',
    'django==1.7.4',  # upgrade to Django 1.9 does prevent AiiDA functioning
    'django_extensions==1.5',
    'tzlocal==1.3',
    'pytz==2014.10',
    'django-celery==3.1.16',
    'celery==3.1.17',
    'billiard==3.3.0.19',
    'anyjson==0.3.3',
    'supervisor==3.1.3',
    'meld3==1.0.0',
    'numpy==1.12.0',
    'plum==0.7.5',
    'SQLAlchemy==1.0.12',  # upgrade to SQLalchemy 1.1.5 does break tests
    'SQLAlchemy-Utils==0.31.2',
    'ujson==1.35',
    'enum34==1.1.2',
    'voluptuous==0.8.11',
    'aldjemy==0.6.0',
    'passlib==1.7.1',
    'validate_email==1.3',
    'click==6.7',
    'tabulate==0.7.5',
    'ete3==3.0.0b35',
    'uritools==1.0.2',
    'psycopg2==2.6.1',
    'amqp==1.4.9',
]

extras_require = {
    # Requirements for verdi shell (version of ipython non enforced, because
    # there are people who still prefer version 4 rather than the latest)
    'verdi_shell': ['ipython'],
    # Requirements for ssh transport
    'ssh': [
        'paramiko==1.15.2',
        'ecdsa==0.13',
        'pycrypto==2.6.1',
    ],
    # Requirements for ssh transport with authentification through Kerberos
    # token
    # N. B.: you need to install first libffi and MIT kerberos GSSAPI including header files.
    # E.g. for Ubuntu 14.04: sudo apt-get install libffi-dev libkrb5-dev
    'ssh_kerberos': [
        'pyasn1==0.1.9',
        'python-gssapi==0.6.4',
    ],
    # Requirements for RESTful API
    'REST': [
        'flask==0.10.1',
        'flask_restful==0.3.5',
        'flask-cors==3.0.1',
        'pyparsing==2.1.10',
        'pattern==2.6',
        'Flask-SqlAlchemy==2.1',
        'SQLAlchemy-migrate==0.10.0',
        'marshmallow-sqlalchemy==0.10.0',
        'flask-marshmallow==0.7.0',
        'itsdangerous==0.24',
        'flask-httpauth==3.2.0',
        'flask-cache==0.13.1',
        'python-memcached==1.58',
    ],
    # Requirements to buiilding documentation
    'docs': [
        'Sphinx==1.5.2',
        'pygments==2.2.0',
        'docutils==0.13.1',
        'jinja2==2.9.5',
        'markupsafe==0.23',
        # Required by readthedocs
        'sphinx_rtd_theme==0.1.9',
    ],
    # Requirements for non-core funciontalities that rely on external atomic
    # manipulation/processing software
    'atomic_tools': [
        'pyspglib',
        # support for symmetry detection in aiida.orm.data.structure. Has no
        # easily accessible version number
        'pymatgen==4.5.3',  # support for NWChem I/O
        'ase==3.12.0',  # support for crystal structure manipulation
        'PyMySQL==0.7.9',  # required by ICSD tools
        'PyCifRW==3.6.2.1',
        # support for the AiiDA CifData class. Update to version 4 ddoes
        # break tests
    ],
    # Requirements for advanced plotting features
    # N.B. requires vtk to be installed
    'advanced_plotting': [
        'mayavi==4.5.0',
    ],
    # Requirements for sqlite (anyway, do not use sqlite for production)
    'sqlite': [
        'pysqlite==2.6.3',
    ]
}

# Dependency for workflow engine
dependency_links = [
    'https://bitbucket.org/aiida_team/plum/get/v0.7.5.zip#egg=plum-0.7.5',
]