Using the GitHub Repository#

Quantarhei is developed on GitHub. This page covers the mechanics of forking, cloning, and submitting pull requests.

Forking and Cloning#

  1. Fork the repository on GitHub — click the Fork button on the project page. This creates your own copy at https://github.com/YOUR-USERNAME/quantarhei.

  2. Clone your fork locally:

    $ git clone https://github.com/YOUR-USERNAME/quantarhei.git
$ cd quantarhei

  3. Add the upstream remote so you can pull in future changes:

    $ git remote add upstream https://github.com/tmancal74/quantarhei.git

Setting Up for Development#

Install in editable mode with development dependencies:

$ pip install -e ".[dev]"
$ pre-commit install

The pre-commit install step sets up Git hooks that automatically run the linter, formatter, and type checker before each commit.

Configuring Git#

Make sure Git knows who you are:

$ git config --global user.name "Your Name"
$ git config --global user.email you@example.com

Keeping Your Fork Up to Date#

Fetch and merge upstream changes into your local master:

$ git fetch upstream
$ git checkout master
$ git merge upstream/master

If you are working on a feature branch, rebase it on top of the updated master:

$ git checkout my-feature
$ git rebase master

Making Changes#

Work on a dedicated branch — never commit directly to master:

$ git checkout -b my-feature

After making changes, run the test suite and linter before committing:

$ pytest tests/unit
$ ruff check quantarhei/ --fix
$ ruff format quantarhei/

Commit your changes:

$ git add <changed files>
$ git commit -m "#<issue-number> short description"

Note

Commit messages must start with the GitHub issue number, e.g. #123 fix: correct energy calculation in aggregate.

Push your branch to your fork:

$ git push -u origin my-feature

Pull Requests#

Open a pull request from your branch to tmancal74/quantarhei master on the GitHub website. Keep pull requests small and focused — one logical change per PR makes review faster.

Your PR will be reviewed and merged by the maintainer once it passes CI and review. See Process of Contributing Code to Quantarhei for contribution guidelines and How to Write Tests for Quantarhei for the testing requirements.