Contributing to LobsterPy#
We would love your input to further extend and improve our code. Contribution of any kind are welcome, for example it can be:
Reporting a bug
Discussing the current state of the code
Submitting a fix
Proposing or implementing new features
Or simply updating the documentation
Reporting bugs, getting help, and discussion#
You can submit questions and bugs to the GitHub issues page.
When creating a bug report, its best if you include some of the pointers mentioned below:
A quick summary and/or background.
Steps to reproduce - be specific! Provide sample code.
What was expected and what actually happened.
Screenshots of any errors you encounter.
Contributing code improvements or additions through Github#
Fork the repo and create your branch from master.
If working using IDE, clone the repo and install the package in development mode
pip install -e lobsterpy[featurizer,dev,tests]in a separate conda or virtual environment.run
pre-commit install(This will install all the hooks from.pre-commit-config.yamland make adapting your code to match linting standards)Commit your improvements to your branch and push to your Github fork (repo).
Make sure you write tests and update documentation when needed. We use pytest framework and check out our existing tests for inspiration.
Try to reuse existing test data when possible.
When you’re finished, go to your fork and make a Pull Request (PR). It will automatically update if you need to make further changes.
If you have raised a PR but are actively working on it, please add `[WIP] in the title.(This will let us know it is still not ready for review or merged)