Nomad example template
This nomad
_ plugin was generated with Cookiecutter
_ along with @nomad
's cookiecutter-nomad-plugin
template.
You should create a virtual environment. You will need the nomad-lab
package (and pytest
).
We recommend using Python 3.9.
python3 -m venv .pyenv
source .pyenv/bin/activate
pip install --upgrade pip
pip install -e '.[dev]' --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
Note!
Until we have an official pypi NOMAD release with the plugins functionality. Make
sure to include NOMAD's internal package registry (e.g. via --index-url
).
You can run automated tests with pytest
:
pytest -svx tests
ruff check .
This is entirely optional. To add this as a check in github actions pipeline, uncomment the ruff-formatting
step in ./github/workflows/actions.yaml
.
ruff format .
Follow the guide on how to develop NOMAD plugins.
The pyproject.toml
file contains everything that is necessary to turn the project
into a pip installable python package. Run the python build tool to create a package distribution:
pip install build
python -m build --sdist
You can install the package with pip:
pip install dist/nomad-foobar-0.1.0
Read more about python packages, pyproject.toml
, and how to upload packages to PyPI
on the PyPI documentation.
To deploy documentation on Github pages, make sure to enable GitHub pages via the repo settings.
To view the documentation locally, install the documentation related packages using:
pip install -r requirements_docs.txt
Run the documentation server:
mkdocs serve
We use cruft to update the project based on template changes. A cruft-update.yml
is included in Github workflows to automatically check for updates and create pull requests to apply updates. Follow the instructions on how to enable Github Actions to create pull requests.
To run the check for updates locally, follow the instructions on cruft
website.
Distributed under the terms of the MIT
_ license, "nomad-foobar" is free and open source software