Contributing 🤝¶

Contributions are welcome, and they are greatly appreciated! Every little bit helps, and credit will always be given.

Bug reports¶

Your operating system name and version.

Any details about your local setup that might be helpful in troubleshooting.

Detailed steps to reproduce the bug.

Documentation improvements¶

autojob could always use more documentation, whether as part of the official autojob docs, in docstrings, or even on the web in blog posts, articles, and such.

Feature requests and feedback¶

The best way to send feedback is to file an issue at https://gitlab.com/ugognw/python-autojob/-/issues.

If you are proposing a feature:

Explain in detail how it would work.
Keep the scope as narrow as possible, to make it easier to implement.
Remember that this is a volunteer-driven project, and that code contributions are welcome :)

Development¶

To set up python-autojob for local development:

Fork python-autojob (look for the “Fork” button).

Clone your fork locally:

git clone git@gitlab.com:YOURGITLABNAME/python-autojob.git

Create a branch for local development:
```
git checkout -b name-of-your-bugfix-or-feature
```
Now you can make your changes locally.
A suitable development environment can be obtained by installing the test, dev, and docs extras:
```
python3 -m pip install .'[test,dev,docs]'
```

When you’re done making changes, run the unit tests with:

    pytest -m "not vasp and not gaussian and not gui" tests

run the linting checks with ``pre-commit``::

    pre-commit run

build the docs with::

    sphinx-build -b html docs/source docs/build/html

and run link checks and doctests with::

    sphinx-build -b linkcheck docs/source docs/build/linkcheck
    sphinx-build -b doctest docs/source docs/build/doctest

Commit your changes and push your branch to GitLab:

git add .
git commit -m "Your detailed description of your changes."
git push origin name-of-your-bugfix-or-feature

Submit a pull request through the GitLab website.

Pull Request Guidelines¶

If you need some code review or feedback while you’re developing the code just make a pull request.

For merging, you should:

Ensure that tests pass locally (run pytest).
Update documentation when there’s new API, functionality etc.
Add a note to CHANGELOG.rst about the changes.
Add yourself to AUTHORS.rst.