{
    "info": {
        "author": "Conrad Johnston",
        "author_email": "conrad.s.johnston@googlemail.com",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 2 - Pre-Alpha",
            "Framework :: AiiDA",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: MIT License",
            "Natural Language :: English",
            "Programming Language :: Python"
        ],
        "description": "[![Build Status](https://travis-ci.org/ConradJohnston/aiida-plumed.svg?branch=master)](https://travis-ci.org/ConradJohnston/aiida-plumed) \n[![Coverage Status](https://coveralls.io/repos/github/ConradJohnston/aiida-plumed/badge.svg?branch=master)](https://coveralls.io/github/ConradJohnston/aiida-plumed?branch=master) \n[![Docs status](https://readthedocs.org/projects/aiida-plumed/badge)](http://aiida-plumed.readthedocs.io/) \n[![PyPI version](https://badge.fury.io/py/aiida-plumed.svg)](https://badge.fury.io/py/aiida-plumed)\n\n# aiida-plumed\n\nAiiDA plugin providing support for Plumed2\n\nThis plugin is the default output of the \n[AiiDA plugin cutter](https://github.com/aiidateam/aiida-plugin-cutter),\nintended to help developers get started with their AiiDA plugins.\n\n## Features\n\n * Add input files using `SinglefileData`:\n   ```python\n   SinglefileData = DataFactory('singlefile')\n   inputs['file1'] = SinglefileData(file='/path/to/file1')\n   inputs['file2'] = SinglefileData(file='/path/to/file2')\n   ```\n\n * Specify command line options via a python dictionary and `DiffParameters`:\n   ```python\n   d = { 'ignore-case': True }\n   DiffParameters = DataFactory('plumed')\n   inputs['parameters'] = DiffParameters(dict=d)\n   ```\n\n * `DiffParameters` dictionaries are validated using [voluptuous](https://github.com/alecthomas/voluptuous).\n   Find out about supported options:\n   ```python\n   DiffParameters = DataFactory('plumed')\n   print(DiffParameters.schema.schema)\n   ```\n\n## Installation\n\n```shell\npip install aiida-plumed\nverdi quicksetup  # better to set up a new profile\nverdi plugin list aiida.calculations  # should now show your calclulation plugins\n```\n\n## Usage\n\nHere goes a complete example of how to submit a test calculation using this plugin.\n\nA quick demo of how to submit a calculation:\n```shell\nverdi daemon start         # make sure the daemon is running\ncd examples\nverdi run submit.py        # submit test calculation\nverdi process list -a  # check status of calculation\n```\n\nThe plugin also includes verdi commands to inspect its data types:\n```shell\nverdi data plumed list\nverdi data plumed export <PK>\n```\n\n## Development\n\n```shell\ngit clone https://github.com/ConradJohnston/aiida-plumed .\ncd aiida-plumed\npip install -e .[pre-commit,testing]  # install extra dependencies\npre-commit install  # install pre-commit hooks\npytest -v  # discover and run all tests\n```\n\nSee the [developer guide](http://aiida-plumed.readthedocs.io/en/latest/developer_guide/index.html) for more information.\n\n## License\n\nMIT\n\n\n## Contact\n\nconrad.s.johnston@googlemail.com\n\n\n\n",
        "description_content_type": "text/markdown",
        "docs_url": null,
        "download_url": "",
        "downloads": {
            "last_day": -1,
            "last_month": -1,
            "last_week": -1
        },
        "home_page": "https://github.com/ConradJohnston/aiida-plumed",
        "keywords": "",
        "license": "MIT",
        "maintainer": "",
        "maintainer_email": "",
        "name": "aiida-plumed",
        "package_url": "https://pypi.org/project/aiida-plumed/",
        "platform": "",
        "project_url": "https://pypi.org/project/aiida-plumed/",
        "project_urls": {
            "Homepage": "https://github.com/ConradJohnston/aiida-plumed"
        },
        "release_url": "https://pypi.org/project/aiida-plumed/0.1.0a0/",
        "requires_dist": [
            "aiida-core (<2.0.0,>=1.0.0b3)",
            "six",
            "voluptuous",
            "sphinx ; extra == 'docs'",
            "pre-commit (==1.11.0) ; extra == 'pre-commit'",
            "yapf (==0.27.0) ; extra == 'pre-commit'",
            "prospector (==0.12.11) ; extra == 'pre-commit'",
            "pylint (==1.9.4) ; extra == 'pre-commit'",
            "pgtest (==1.2.0) ; extra == 'testing'",
            "wheel (>=0.31) ; extra == 'testing'",
            "coverage ; extra == 'testing'",
            "pytest (<5.0.0,>=3.6.3) ; extra == 'testing'",
            "pytest-cov (<5.0.0,>=2.6.1) ; extra == 'testing'"
        ],
        "requires_python": "",
        "summary": "AiiDA plugin providing support for Plumed2",
        "version": "0.1.0a0"
    },
    "last_serial": 5835910,
    "releases": {
        "0.1.0a0": [
            {
                "comment_text": "",
                "digests": {
                    "md5": "9895ffc7b02f06320ec46915b5365e49",
                    "sha256": "755c31e8cb977179676605f6584cda14b95bde1893f3a0cf2094dbe88eb85b8f"
                },
                "downloads": -1,
                "filename": "aiida_plumed-0.1.0a0-py2-none-any.whl",
                "has_sig": false,
                "md5_digest": "9895ffc7b02f06320ec46915b5365e49",
                "packagetype": "bdist_wheel",
                "python_version": "py2",
                "requires_python": null,
                "size": 23048,
                "upload_time": "2019-09-16T12:36:13",
                "url": "https://files.pythonhosted.org/packages/1a/bf/4c5fbd50727f3930d6f6c22d434b1d0f749b05a61418c6cedb90a5465407/aiida_plumed-0.1.0a0-py2-none-any.whl"
            },
            {
                "comment_text": "",
                "digests": {
                    "md5": "c5d7b4373173b66533de5c8c02f5cbd2",
                    "sha256": "91ed80b585d4fe1707edb515d05df757b161b1f8b387db2d0294460f3ef946f0"
                },
                "downloads": -1,
                "filename": "aiida-plumed-0.1.0a0.tar.gz",
                "has_sig": false,
                "md5_digest": "c5d7b4373173b66533de5c8c02f5cbd2",
                "packagetype": "sdist",
                "python_version": "source",
                "requires_python": null,
                "size": 11469,
                "upload_time": "2019-09-16T12:36:16",
                "url": "https://files.pythonhosted.org/packages/21/93/61957a59ff9c552bff83acc8eb4c488dbf51c345f80876716a3cfaccc12c/aiida-plumed-0.1.0a0.tar.gz"
            }
        ]
    },
    "urls": [
        {
            "comment_text": "",
            "digests": {
                "md5": "9895ffc7b02f06320ec46915b5365e49",
                "sha256": "755c31e8cb977179676605f6584cda14b95bde1893f3a0cf2094dbe88eb85b8f"
            },
            "downloads": -1,
            "filename": "aiida_plumed-0.1.0a0-py2-none-any.whl",
            "has_sig": false,
            "md5_digest": "9895ffc7b02f06320ec46915b5365e49",
            "packagetype": "bdist_wheel",
            "python_version": "py2",
            "requires_python": null,
            "size": 23048,
            "upload_time": "2019-09-16T12:36:13",
            "url": "https://files.pythonhosted.org/packages/1a/bf/4c5fbd50727f3930d6f6c22d434b1d0f749b05a61418c6cedb90a5465407/aiida_plumed-0.1.0a0-py2-none-any.whl"
        },
        {
            "comment_text": "",
            "digests": {
                "md5": "c5d7b4373173b66533de5c8c02f5cbd2",
                "sha256": "91ed80b585d4fe1707edb515d05df757b161b1f8b387db2d0294460f3ef946f0"
            },
            "downloads": -1,
            "filename": "aiida-plumed-0.1.0a0.tar.gz",
            "has_sig": false,
            "md5_digest": "c5d7b4373173b66533de5c8c02f5cbd2",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": null,
            "size": 11469,
            "upload_time": "2019-09-16T12:36:16",
            "url": "https://files.pythonhosted.org/packages/21/93/61957a59ff9c552bff83acc8eb4c488dbf51c345f80876716a3cfaccc12c/aiida-plumed-0.1.0a0.tar.gz"
        }
    ]
}