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Developer's Guide

VSCode

This project uses the Dev Containers extension for VSCode to create reproducible development environments, please ensure that you have the IDE and extension installed. When you open the project in VSCode, the .devcontainer folder should be automatically detected and you will prompted you to build the container and re-open the project inside it. If not, open the Command Palette (Ctrl+Shift+P on Windows/Linux or Cmd+Shift+P on macOS) and select Remote-Containers: Reopen in Container.

pixi

This project uses pixi for dependency management and workflow automation. pixi uses the contents of the pyproject.toml file to generate a cross-platform pixi.lock file, providing deterministic, reproducible installations, while seamlessly resolving dependencies from multiple sources (PyPI, conda-forge etc.).

pre-commit, isort, & black

This project uses pre-commit hooks to automatically enforce certain coding standards. Before every commit isort and black are executed on staged files to ensure that all committed code is formatted consistently. The command can also be invoked manually:

pixi run pre-commit

Similarly, both tools can be run individually:

pixi run isort
pixi run black

When invoked in this way all files under the src/ and tests/ directories will be reformatted, not just staged changes.

pytest

This project uses pytest for automated testing. To execute the test suite, run:

pixi run pytest

flake8, & pyright

This project uses flake8 for linting and style enforcement (in addition to black). It also uses pyright for static type checking. To perform pre-merge checks combining these tools, run:

pixi run pre-merge

Alternatively, you can run them individually:

pixi run flake8
pixi run pyright

Interactive Development

For interactive development you can spin up a JupyterLab session:

pixi run jupyter

Please take advantage of jupytext to write notebooks as plain text .py files and avoid committing .ipynb files directly.