Development

Development#

Environment#

For developing the package, consider doing so from within a virtual environment; that will makes things easier to check versions and pin them properly in package dependencies, as needed. Following the above snipped, install, activate, upgrade pip and make majordome ready for development.

python -m venv venv
venv\Scripts\Activate.ps1
python -m pip install --upgrade pip
pip install -e .

Please notice that Linux users may need to install python-venv; under Debian-based distributions that is done with sudo apt install python-venv, which requires admin rights. Also notice that activating an environment is done with source venv/bin/activate instead.

Documentation#

During development it is highly recommended to verify documentation build succeeds; in practice it is automatically generated and deployed by a GitHub workflow. From within a development environment created as per the previous section (and containing the package installed at least in development mode), run the following:

pip install .[docs]
sphinx-build -E -b html -c docs/ docs/src/ docs/_build/

Distribution#

For distribution, maintainers need to do the following:

python -m pip install --upgrade twine
python -m pip install --upgrade build
python -m build
python -m twine upload --repository majordome dist/*

Wishlist#

  • Implement diffusional Grashof number in majordome.transport.SutherlandFitting, which is related to mass transfer arising because of the buoyant force caused by the concentration inhomogeneities.

  • Create a data converter to create Ansys Fluent SCM files directly from Cantera YAML (species data and reactions).

  • Add generation of TUI commands for Fluent expression generator (and further expand to general Fluent setup).

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