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Contributing to PLAMS

Thank you for your interest in contributing to the PLAMS project!

We want to keep it as easy as possible to contribute changes that get things working in your environment. There are a few guidelines that we need contributors to follow so that we can have a chance of keeping on top of things.

Getting Started

Making Changes

  • Create a feature branch from where you want to base your work
    • This is usually the trunk branch - only target release branches if you are certain your fix must be on that branch
    • To quickly create a feature branch based on trunk run git checkout -b MyName/my_contribution trunk
  • Make commits of logical units
  • Make sure your commit messages are informative
  • Make sure you have added the necessary tests for your changes

Submitting Changes

  • Push your changes to a feature branch in your fork of the repository
  • Submit a pull request to the repository in the SCM-NV organization
  • The core team reviews Pull Requests on a regular basis and will provide feedback / approval

Developer Tools

In order to maintain a high code quality, we use a variety of code developer tools in our repo. These include:

Tool Purpose
black code formatting
mypy static type checking
pytest testing
coverage measuring test coverage
sphinx generating documentation

These can be installed with the command pip install '.[dev]'.

A series of checks are conducted in our CI pipeline, which must pass before your pull request is considered ready for review.

Develop with UV locally

If you work with uv and from command line, install all the dependencies:

uv sync --all-extras -p 3.9

If you work with AMS (check ams installation: $AMSBIN/dirac check):

uv pip install $AMSHOME/scripting/scm/amspipe

or:

uv pip install --index-url "https://<scm-username>:<pwd>@downloads.scm.com/Downloads/packages/uv/channels/2026.1/simple/" \
  scm-amspipe scm-external-engines plams

To run tests use:

PYTHONPATH=${PYTHONPATH}:./src:./unit_tests uv run pytest unit_tests/

To add optional dependencies use (default dependencies are difficult to be added):

uv add pigeon-jupyter --optional ml

Fix the code before submitting it

Check the file ci.yml, here we store all the checks before the merging a pull-request.

For example: black --check -t py38 -l 120 . is run. You can check from command line using uv run [command].