{"id":25019481,"url":"https://github.com/aiidateam/aiida-diff","last_synced_at":"2025-04-13T04:05:20.505Z","repository":{"id":34369492,"uuid":"145898706","full_name":"aiidateam/aiida-diff","owner":"aiidateam","description":"AiiDA demo plugin that computes the difference between two files.","archived":false,"fork":false,"pushed_at":"2024-07-24T16:23:20.000Z","size":187,"stargazers_count":2,"open_issues_count":1,"forks_count":10,"subscribers_count":3,"default_branch":"master","last_synced_at":"2025-04-13T04:04:58.322Z","etag":null,"topics":["aiida-plugin"],"latest_commit_sha":null,"homepage":"https://aiida-diff.readthedocs.io","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/aiidateam.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2018-08-23T19:34:14.000Z","updated_at":"2023-01-19T14:40:08.000Z","dependencies_parsed_at":"2025-02-05T11:50:48.407Z","dependency_job_id":"f16bf665-b95c-4801-a59d-e12326339496","html_url":"https://github.com/aiidateam/aiida-diff","commit_stats":null,"previous_names":[],"tags_count":7,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidateam%2Faiida-diff","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidateam%2Faiida-diff/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidateam%2Faiida-diff/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidateam%2Faiida-diff/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/aiidateam","download_url":"https://codeload.github.com/aiidateam/aiida-diff/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248661707,"owners_count":21141450,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["aiida-plugin"],"created_at":"2025-02-05T11:50:45.231Z","updated_at":"2025-04-13T04:05:20.476Z","avatar_url":"https://github.com/aiidateam.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"[![Build Status][ci-badge]][ci-link]\n[![Coverage Status][cov-badge]][cov-link]\n[![Docs status][docs-badge]][docs-link]\n[![PyPI version][pypi-badge]][pypi-link]\n\n# aiida-diff\n\nAiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.\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## Repository contents\n\n* [`.github/`](.github/): [Github Actions](https://github.com/features/actions) configuration\n  * [`ci.yml`](.github/workflows/ci.yml): runs tests, checks test coverage and builds documentation at every new commit\n  * [`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\n* [`aiida_diff/`](aiida_diff/): The main source code of the plugin package\n  * [`data/`](aiida_diff/data/): A new `DiffParameters` data class, used as input to the `DiffCalculation` `CalcJob` class\n  * [`calculations.py`](aiida_diff/calculations.py): A new `DiffCalculation` `CalcJob` class\n  * [`cli.py`](aiida_diff/cli.py): Extensions of the `verdi data` command line interface for the `DiffParameters` class\n  * [`helpers.py`](aiida_diff/helpers.py): Helpers for setting up an AiiDA code for `diff` automatically\n  * [`parsers.py`](aiida_diff/parsers.py): A new `Parser` for the `DiffCalculation`\n* [`docs/`](docs/): A documentation template ready for publication on [Read the Docs](http://aiida-diff.readthedocs.io/en/latest/)\n* [`examples/`](examples/): An example of how to submit a calculation using this plugin\n* [`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`.\n* [`.gitignore`](.gitignore): Telling git which files to ignore\n* [`.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] \u0026\u0026 pre-commit install`\n* [`.readthedocs.yml`](.readthedocs.yml): Configuration of documentation build for [Read the Docs](https://readthedocs.org/)\n* [`LICENSE`](LICENSE): License for your plugin\n* [`README.md`](README.md): This file\n* [`conftest.py`](conftest.py): Configuration of fixtures for [pytest](https://docs.pytest.org/en/latest/)\n* [`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)\n\nSee also the following video sequences from the 2019-05 AiiDA tutorial:\n\n * [run aiida-diff example calculation](https://www.youtube.com/watch?v=2CxiuiA1uVs\u0026t=403s)\n * [aiida-diff CalcJob plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs\u0026t=685s)\n * [aiida-diff Parser plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs\u0026t=936s)\n * [aiida-diff computer/code helpers](https://www.youtube.com/watch?v=2CxiuiA1uVs\u0026t=1238s)\n * [aiida-diff input data (with validation)](https://www.youtube.com/watch?v=2CxiuiA1uVs\u0026t=1353s)\n * [aiida-diff cli](https://www.youtube.com/watch?v=2CxiuiA1uVs\u0026t=1621s)\n * [aiida-diff tests](https://www.youtube.com/watch?v=2CxiuiA1uVs\u0026t=1931s)\n * [Adding your plugin to the registry](https://www.youtube.com/watch?v=760O2lDB-TM\u0026t=112s)\n * [pre-commit hooks](https://www.youtube.com/watch?v=760O2lDB-TM\u0026t=333s)\n\nFor more information, see the [developer guide](https://aiida-diff.readthedocs.io/en/latest/developer_guide) of your plugin.\n\n\n## Features\n\n * Add input files using `SinglefileData`:\n   ```python\n   SinglefileData = DataFactory('core.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('diff')\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('diff')\n   print(DiffParameters.schema.schema)\n   ```\n\n## Installation\n\n```shell\npip install aiida-diff\nverdi quicksetup  # better to set up a new profile\nverdi plugin list aiida.calculations  # should now show your calclulation plugins\n```\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\n./example_01.py        # run test calculation\nverdi process list -a  # check record of calculation\n```\n\nThe plugin also includes verdi commands to inspect its data types:\n```shell\nverdi data diff list\nverdi data diff export \u003cPK\u003e\n```\n\n## Development\n\n```shell\ngit clone https://github.com/aiidateam/aiida-diff .\ncd aiida-diff\npip install --upgrade pip\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-diff.readthedocs.io/en/latest/developer_guide/index.html) for more information.\n\n## License\n\nMIT\n\n\n[ci-badge]: https://github.com/aiidateam/aiida-diff/workflows/ci/badge.svg?branch=master\n[ci-link]: https://github.com/aiidateam/aiida-diff/actions\n[cov-badge]: https://coveralls.io/repos/github/aiidateam/aiida-diff/badge.svg?branch=master\n[cov-link]: https://coveralls.io/github/aiidateam/aiida-diff?branch=master\n[docs-badge]: https://readthedocs.org/projects/aiida-diff/badge\n[docs-link]: http://aiida-diff.readthedocs.io/\n[pypi-badge]: https://badge.fury.io/py/aiida-diff.svg\n[pypi-link]: https://badge.fury.io/py/aiida-diff\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Faiidateam%2Faiida-diff","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Faiidateam%2Faiida-diff","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Faiidateam%2Faiida-diff/lists"}