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        "author": "Brandon Bocklund",
        "author_email": "brandonbocklund@gmail.com",
        "bugtrack_url": null,
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            "License :: OSI Approved :: MIT License",
            "Programming Language :: Python :: 2",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3",
            "Programming Language :: Python :: 3.5",
            "Programming Language :: Python :: 3.6",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics"
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        "description": "=====\nDFTTK\n=====\n\nThis repo contains the custom workflows developed by the Phases Research Lab that do not fit into the scope of the public atomate repository.\n\nThe following workflows are currently implemented:\n- Gibbs energy workflow for stable structures\n\nor under development:\n- Minimum volume finding workflow\n\nInstallation\n============\n\nDFTTK requires Python 3. Python 2 support for NumPy ends 2019-01-01.\n\npip\n---\n\nFrom the command line, run ``pip install dfttk``\n\nconda\n-----\n\nAnaconda packages of DFTTK are currently not supported. If you are using Anaconda, you should be able to install with pip.\n\ndevelopment versions\n--------------------\n\n1. ``git clone https://github.com/phasesresearchlab/dfttk``\n2. ``cd dfttk``\n3. ``pip install -e .``\n\nUse\n===\n\n``from dfttk import get_wf_gibbs``. Examples forthcoming.\n\nContributing\n============\n\nSee CONTRIBUTING.rst_\n\n.. _CONTRIBUTING.rst: CONTRIBUTING.rst\n\nLicense\n-------\n\nDFTTK is MIT licensed. See LICENSE_\n\n.. _LICENSE: LICENSE",
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        "summary": "Density functional theory workflows for finite temperature thermodynamics based on atomate workflows. Created by the Phases Research Lab",
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