{"id":18437648,"url":"https://github.com/aiidaplugins/aiida-gulp","last_synced_at":"2025-12-14T03:03:36.489Z","repository":{"id":57408716,"uuid":"149473509","full_name":"aiidaplugins/aiida-gulp","owner":"aiidaplugins","description":"AiiDA plugin for use with GULP","archived":false,"fork":false,"pushed_at":"2019-10-30T20:18:50.000Z","size":698,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"develop","last_synced_at":"2025-04-13T15:16:40.114Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"lgpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/aiidaplugins.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}},"created_at":"2018-09-19T15:37:08.000Z","updated_at":"2020-09-18T13:33:17.000Z","dependencies_parsed_at":"2022-09-26T17:11:04.141Z","dependency_job_id":null,"html_url":"https://github.com/aiidaplugins/aiida-gulp","commit_stats":null,"previous_names":["chrisjsewell/aiida-gulp"],"tags_count":1,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidaplugins%2Faiida-gulp","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidaplugins%2Faiida-gulp/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidaplugins%2Faiida-gulp/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/aiidaplugins%2Faiida-gulp/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/aiidaplugins","download_url":"https://codeload.github.com/aiidaplugins/aiida-gulp/tar.gz/refs/heads/develop","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248732486,"owners_count":21152852,"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":[],"created_at":"2024-11-06T06:15:42.847Z","updated_at":"2025-12-14T03:03:31.057Z","avatar_url":"https://github.com/aiidaplugins.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"[![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\u003e\u003e conda install -c conda-forge aiida-gulp aiida-core.services\n```\n\nTo install from pypi::\n\n```shell\n\u003e\u003e pip install aiida-gulp\n```\n\nTo install the development version:\n\n```shell\n\u003e\u003e git clone https://github.com/chrisjsewell/aiida-gulp .\n\u003e\u003e cd aiida-gulp\n\u003e\u003e pip install -e .  # also installs aiida, if missing (but not postgres)\n\u003e\u003e #pip install -e .[pre-commit,testing] # install extras for more features\n\u003e\u003e verdi quicksetup  # set up a new profile\n\u003e\u003e 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\u003e\u003e pip install -e .[testing]\n\u003e\u003e reentry scan -r aiida\n\u003e\u003e pytest -v\n```\n\nTo omit tests which call external executables (like `gulp`):\n\n```shell\n\u003e\u003e pytest --gulp-skip-exec\n```\n\nTo call the actual executable (e.g. `gulp` instead of `gulp_mock`):\n\n```shell\n\u003e\u003e pytest --gulp-no-mock\n```\n\nTo output the results of calcjob executions to a specific directory:\n\n```shell\n\u003e\u003e 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\u003e\u003e cd aiida-gulp\n\u003e\u003e pre-commit install\n```\n\nOptionally you can run `black` and `flake8` separately:\n\n```shell\n\u003e\u003e black .  # recursively find and format files in-place\n\u003e\u003e 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","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Faiidaplugins%2Faiida-gulp","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Faiidaplugins%2Faiida-gulp","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Faiidaplugins%2Faiida-gulp/lists"}