Warning This repository is experimental and bare-bones at the moment. It's not ready for use, but discussions and contributions are welcome!

Celeritas Python interface

You can pronounce this package like "slurpee," or really any other way you want. This celerpy package will be the Python-based front end to the Celeritas binary codes and include a user-friendly execution interface, visualization components, and postprocessing utilities.

Development

Development is a little weird if you're not used to modern python projects, especially because python development and packaging evolves so quickly. To isolate the development environment, pyenv and pip install a toolchain locally.

Setting up

External dependencies (easily installed through Homebrew or another package manager):

• pyenv, which will install its own python versions in an isolated environment

After cloning the repository, run make pre-commit to:

• Install the development version of python specified in .python-version to your pyenv prefix (default: ~/.pyenv, configurable with the PYENV_ROOT variable)
• Set up a virtual environment in .venv that will contain all the development dependencies, including a celerpy symlink in its environment that will point to your working copy
• Install pre-commit hooks that use the tools just installed in your virtual environment.

Testing and committing

At this point you can modify the python code and run tests without having to reinstall the dependencies, and every git commit will run the tests automatically. (Use git commit --no-verify to disable.)

The makefile specifies a few useful targets:

• style: apply style fixups to all the python files in development
• test: run tests
• pip: reinstall all the dependencies in your virtual environment
• rebuild_dependencies: update the requirements file if you add a new dependency to pyproject.toml

You can also test independently once your virtual environment is set up. For example, to run a single python test function from a single python test, with the most verbose output and sending stdout/stderr to the console, run:

$ . .venv/bin/activate
$ pytest -vv -s test/test_process.py -k test_context