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توضیحات

AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.

ویژگی	مقدار
سیستم عامل	-
نام فایل	aiida-diff-2.0.0
نام	aiida-diff
نسخه کتابخانه	2.0.0
نگهدارنده	[]
ایمیل نگهدارنده	[]
نویسنده	The AiiDA Team
ایمیل نویسنده	-
آدرس صفحه اصلی	-
آدرس اینترنتی	https://pypi.org/project/aiida-diff/
مجوز	-

[![Build Status][ci-badge]][ci-link] [![Coverage Status][cov-badge]][cov-link] [![Docs status][docs-badge]][docs-link] [![PyPI version][pypi-badge]][pypi-link] # 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`. * [`.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 * [`README.md`](README.md): This file * [`conftest.py`](conftest.py): Configuration of fixtures for [pytest](https://docs.pytest.org/en/latest/) * [`pyproject.toml`](setup.json): Python package metadata for registration on [PyPI](https://pypi.org/) and the [AiiDA plugin registry](https://aiidateam.github.io/aiida-registry/) (including entry points) See also the following video sequences from the 2019-05 AiiDA tutorial: * [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('core.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 --upgrade pip 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 [ci-badge]: https://github.com/aiidateam/aiida-diff/workflows/ci/badge.svg?branch=master [ci-link]: https://github.com/aiidateam/aiida-diff/actions [cov-badge]: https://coveralls.io/repos/github/aiidateam/aiida-diff/badge.svg?branch=master [cov-link]: https://coveralls.io/github/aiidateam/aiida-diff?branch=master [docs-badge]: https://readthedocs.org/projects/aiida-diff/badge [docs-link]: http://aiida-diff.readthedocs.io/ [pypi-badge]: https://badge.fury.io/py/aiida-diff.svg [pypi-link]: https://badge.fury.io/py/aiida-diff

نیازمندی

مقدار	نام
-	aiida-core>=2.0,<3
-	voluptuous
-	sphinx
-	sphinxcontrib-contentui
-	sphinxcontrib-details-directive
-	furo
-	markupsafe<2.1
-	pre-commit~=2.2
-	pylint>=2.5.0,<2.9
-	pgtest~=1.3.1
-	wheel~=0.31
-	coverage[toml]
-	pytest~=6.0
-	pytest-cov

زبان مورد نیاز

مقدار	نام
>=3.8	Python

نحوه نصب

نصب پکیج whl aiida-diff-2.0.0:

pip install aiida-diff-2.0.0.whl

نصب پکیج tar.gz aiida-diff-2.0.0:

pip install aiida-diff-2.0.0.tar.gz