{
    "info": {
        "author": "Chris Sewell",
        "author_email": "chrisj_sewell@hotmail.com",
        "bugtrack_url": null,
        "classifiers": [
            "Framework :: AiiDA",
            "Programming Language :: Python",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3.6",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics"
        ],
        "description": "[![Build Status](https://travis-ci.org/chrisjsewell/aiida-gulp.svg?branch=master)](https://travis-ci.org/chrisjsewell/aiida-gulp)\n[![Coverage Status](https://coveralls.io/repos/github/chrisjsewell/aiida-gulp/badge.svg?branch=master)](https://coveralls.io/github/chrisjsewell/aiida-gulp?branch=master)\n[![Docs status](https://readthedocs.org/projects/aiida-gulp/badge)](http://aiida-gulp.readthedocs.io/)\n[![PyPI](https://img.shields.io/pypi/v/aiida-gulp.svg)](https://pypi.python.org/pypi/aiida-gulp/)\n[![Anaconda](https://anaconda.org/conda-forge/aiida-gulp/badges/version.svg)](https://anaconda.org/conda-forge/aiida-gulp)\n[![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/ambv/black)\n\n# aiida-gulp\n\nAiiDA plugin for running the [GULP](http://gulp.curtin.edu.au) code.\n\n**Documentation**: https://readthedocs.org/projects/aiida-gulp\n\n## Installation\n\nTo install from Conda (recommended)::\n\n```shell\n>> conda install -c conda-forge aiida-gulp aiida-core.services\n```\n\nTo install from pypi::\n\n```shell\n>> pip install aiida-gulp\n```\n\nTo install the development version:\n\n```shell\n>> git clone https://github.com/chrisjsewell/aiida-gulp .\n>> cd aiida-gulp\n>> pip install -e .  # also installs aiida, if missing (but not postgres)\n>> #pip install -e .[pre-commit,testing] # install extras for more features\n>> verdi quicksetup  # set up a new profile\n>> verdi calculation plugins  # should now show the calculation plugins (with prefix gulp.)\n```\n\n## Development\n\n### Testing against mock GULP executables\n\nBecause GULP is a licensed software, it is not possible to source a copy of the executable on Travis CI.\nTherefore, a mock executable (`gulp_mock`) has been created for testing purposes (which also speeds up test runs).\n\nThis executable computes the md5 hash of the supplied input file and tries to match it against a dictionary of\nprecomputed hashes. If found, the executable will write the matching output (from `test/output_files`) to stdout.\n\nThe following will discover and run all unit test:\n\n```shell\n>> pip install -e .[testing]\n>> reentry scan -r aiida\n>> pytest -v\n```\n\nTo omit tests which call external executables (like `gulp`):\n\n```shell\n>> pytest --gulp-skip-exec\n```\n\nTo call the actual executable (e.g. `gulp` instead of `gulp_mock`):\n\n```shell\n>> pytest --gulp-no-mock\n```\n\nTo output the results of calcjob executions to a specific directory:\n\n```shell\n>> pytest --gulp-workdir \"test_workdir\"\n```\n\n### Coding Style Requirements\n\nThe code style is tested using [flake8](http://flake8.pycqa.org),\nwith the configuration set in `.flake8`, and code should be formatted with [black](https://github.com/ambv/black).\n\nInstalling with `aiida-gulp[code_style]` makes the [pre-commit](https://pre-commit.com/)\npackage available, which will ensure these tests are passed by reformatting the code\nand testing for lint errors before submitting a commit.\nIt can be setup by:\n\n```shell\n>> cd aiida-gulp\n>> pre-commit install\n```\n\nOptionally you can run `black` and `flake8` separately:\n\n```shell\n>> black .  # recursively find and format files in-place\n>> flake8\n```\n\nEditors like VS Code also have automatic code reformat utilities, which can adhere to this standard.\n\n## License\n\nSee ``LICENSE`` file\n\n## Contact\n\nchrisj_sewell@hotmail.com\n\n\n",
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            "mock (==2.0.0) ; extra == 'testing'",
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