Welcome to the `msmhelper` Contributing Guide¶

This guide will give you an overview of the contribution workflow from opening an issue and creating a PR. To get an overview of the project, read the module overview.

Issues¶

Create a new issue¶

If you spot a bug, want to request a new functionality, or have a question on how to use the module, please search if an issue already exists. If a related issue does not exist, feel free to open a new issue.

Solve an issue¶

If you want to contribute and do not how, feel free to scan through the existing issues.

Create a new pull request¶

Create a fork¶

If you want to request a change, you first have to fork the repository.

Setup a development environment¶

bash + condabash + venvzsh + condazsh + venv

conda create -n msmhelper -c conda-forge python=3.11
conda activate msmhelper
python -m pip install -e .[all]

python -m venv ./msmhelper
source ./msmhelper/bin/activate
python -m pip install -e .[all]

conda create -n msmhelper -c conda-forge python=3.11
conda activate msmhelper
python -m pip install -e .\[all]

python -m venv ./msmhelper
source ./msmhelper/bin/activate
python -m pip install -e .\[all]

Make changes and run tests¶

Apply your changes and check if you followed the coding style (PEP8) by running

python -m flake8 --config flake8-CI.cfg

All errors pointing to ./build/ can be neglected.

If you add a new function/method/class please ensure that you add a test function, as well. Running the test simply by

python -m pytest --no-cov
export NUMBA_DISABLE_JIT=1 && python -m pytest

Ensure that the coverage does not decrease.

Open a pull request¶

Now you are ready to open a pull request and please do not forget to add a description.

Welcome to the msmhelper Contributing Guide¶