Metadata-Version: 2.1
Name: aiida-diff
Version: 1.2.0
Summary: AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
Home-page: https://github.com/aiidateam/aiida-diff
Author: The AiiDA Team
Author-email: 
License: MIT
Description: [![Build Status](https://github.com/aiidateam/aiida-diff/workflows/ci/badge.svg?branch=master)](https://github.com/aiidateam/aiida-diff/actions)
        [![Coverage Status](https://coveralls.io/repos/github/aiidateam/aiida-diff/badge.svg?branch=master)](https://coveralls.io/github/aiidateam/aiida-diff?branch=master)
        [![Docs status](https://readthedocs.org/projects/aiida-diff/badge)](http://aiida-diff.readthedocs.io/)
        [![PyPI version](https://badge.fury.io/py/aiida-diff.svg)](https://badge.fury.io/py/aiida-diff)
        
        # aiida-diff
        
        AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
        
        This plugin is the default output of the
        [AiiDA plugin cutter](https://github.com/aiidateam/aiida-plugin-cutter),
        intended to help developers get started with their AiiDA plugins.
        
        ## Repository contents
        
        * [`.github/`](.github/): [Github Actions](https://github.com/features/actions) configuration
          * [`ci.yml`](.github/workflows/ci.yml): runs tests, checks test coverage and builds documentation at every new commit
          * [`publish-on-pypi.yml`](.github/workflows/publish-on-pypi.yml): automatically deploy git tags to PyPI - just generate a [PyPI API token](https://pypi.org/help/#apitoken) for your PyPI account and add it to the `pypi_token` secret of your github repository
        * [`aiida_diff/`](aiida_diff/): The main source code of the plugin package
          * [`data/`](aiida_diff/data/): A new `DiffParameters` data class, used as input to the `DiffCalculation` `CalcJob` class
          * [`calculations.py`](aiida_diff/calculations.py): A new `DiffCalculation` `CalcJob` class
          * [`cli.py`](aiida_diff/cli.py): Extensions of the `verdi data` command line interface for the `DiffParameters` class
          * [`helpers.py`](aiida_diff/helpers.py): Helpers for setting up an AiiDA code for `diff` automatically
          * [`parsers.py`](aiida_diff/parsers.py): A new `Parser` for the `DiffCalculation`
        * [`docs/`](docs/): A documentation template ready for publication on [Read the Docs](http://aiida-diff.readthedocs.io/en/latest/)
        * [`examples/`](examples/): An example of how to submit a calculation using this plugin
        * [`tests/`](tests/): Basic regression tests using the [pytest](https://docs.pytest.org/en/latest/) framework (submitting a calculation, ...). Install `pip install -e .[testing]` and run `pytest`.
        * [`.coveragerc`](.coveragerc): Configuration of [coverage.py](https://coverage.readthedocs.io/en/latest) tool reporting which lines of your plugin are covered by tests
        * [`.gitignore`](.gitignore): Telling git which files to ignore
        * [`.pre-commit-config.yaml`](.pre-commit-config.yaml): Configuration of [pre-commit hooks](https://pre-commit.com/) that sanitize coding style and check for syntax errors. Enable via `pip install -e .[pre-commit] && pre-commit install`
        * [`.readthedocs.yml`](.readthedocs.yml): Configuration of documentation build for [Read the Docs](https://readthedocs.org/)
        * [`LICENSE`](LICENSE): License for your plugin
        * [`MANIFEST.in`](MANIFEST.in): Configure non-Python files to be included for publication on [PyPI](https://pypi.org/)
        * [`README.md`](README.md): This file
        * [`conftest.py`](conftest.py): Configuration of fixtures for [pytest](https://docs.pytest.org/en/latest/)
        * [`pytest.ini`](pytest.ini): Configuration of [pytest](https://docs.pytest.org/en/latest/) test discovery
        * [`setup.json`](setup.json): Plugin metadata for registration on [PyPI](https://pypi.org/) and the [AiiDA plugin registry](https://aiidateam.github.io/aiida-registry/) (including entry points)
        * [`setup.py`](setup.py): Installation script for pip / [PyPI](https://pypi.org/)
        
        
        See also the following video sequences from the 2019-05 AiiDA tutorial:
        
         * [aiida-diff setup.json](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=240s)
         * [run aiida-diff example calculation](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=403s)
         * [aiida-diff CalcJob plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=685s)
         * [aiida-diff Parser plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=936s)
         * [aiida-diff computer/code helpers](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1238s)
         * [aiida-diff input data (with validation)](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1353s)
         * [aiida-diff cli](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1621s)
         * [aiida-diff tests](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=1931s)
         * [Adding your plugin to the registry](https://www.youtube.com/watch?v=760O2lDB-TM&t=112s)
         * [pre-commit hooks](https://www.youtube.com/watch?v=760O2lDB-TM&t=333s)
        
        For more information, see the [developer guide](https://aiida-diff.readthedocs.io/en/latest/developer_guide) of your plugin.
        
        
        ## Features
        
         * Add input files using `SinglefileData`:
           ```python
           SinglefileData = DataFactory('singlefile')
           inputs['file1'] = SinglefileData(file='/path/to/file1')
           inputs['file2'] = SinglefileData(file='/path/to/file2')
           ```
        
         * Specify command line options via a python dictionary and `DiffParameters`:
           ```python
           d = { 'ignore-case': True }
           DiffParameters = DataFactory('diff')
           inputs['parameters'] = DiffParameters(dict=d)
           ```
        
         * `DiffParameters` dictionaries are validated using [voluptuous](https://github.com/alecthomas/voluptuous).
           Find out about supported options:
           ```python
           DiffParameters = DataFactory('diff')
           print(DiffParameters.schema.schema)
           ```
        
        ## Installation
        
        ```shell
        pip install aiida-diff
        verdi quicksetup  # better to set up a new profile
        verdi plugin list aiida.calculations  # should now show your calclulation plugins
        ```
        
        
        ## Usage
        
        Here goes a complete example of how to submit a test calculation using this plugin.
        
        A quick demo of how to submit a calculation:
        ```shell
        verdi daemon start     # make sure the daemon is running
        cd examples
        ./example_01.py        # run test calculation
        verdi process list -a  # check record of calculation
        ```
        
        The plugin also includes verdi commands to inspect its data types:
        ```shell
        verdi data diff list
        verdi data diff export <PK>
        ```
        
        ## Development
        
        ```shell
        git clone https://github.com/aiidateam/aiida-diff .
        cd aiida-diff
        pip install -e .[pre-commit,testing]  # install extra dependencies
        pre-commit install  # install pre-commit hooks
        pytest -v  # discover and run all tests
        ```
        
        See the [developer guide](http://aiida-diff.readthedocs.io/en/latest/developer_guide/index.html) for more information.
        
        ## License
        
        MIT
        
        
        
Platform: UNKNOWN
Classifier: Programming Language :: Python
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Framework :: AiiDA
Description-Content-Type: text/markdown
Provides-Extra: testing
Provides-Extra: pre-commit
Provides-Extra: docs
