Luthaf / nightly-wheels

Build wheels nightly and allow to install them with pip

Nighty Wheels

This repository contains code to build a bunch of lab-cosmo Python projects each day, and make the pre-built wheels directly installable with pip.

librascal

Library to generate representations for atomic-scale learning, https://github.com/lab-cosmo/librascal

# install rascal dependencies first
pip install numpy scipy ase

# finally install librascal itself (this can not be a single step since there is
# another package called rascal on PyPI)
pip install --index-url https://luthaf.fr/nightly-wheels/ rascal

metatensor

Data storage and manipulation for atomistic machine learning, https://github.com/lab-cosmo/metatensor

# install the full project
pip install --extra-index-url https://luthaf.fr/nightly-wheels/ metatensor
# install the full project, including the torch interface
pip install --extra-index-url https://luthaf.fr/nightly-wheels/ metatensor[torch]

# install sub-packages (not required if you installed the full project)
pip install --extra-index-url https://luthaf.fr/nightly-wheels/ metatensor-core
pip install --extra-index-url https://luthaf.fr/nightly-wheels/ metatensor-torch
pip install --extra-index-url https://luthaf.fr/nightly-wheels/ metatensor-operations

rascaline

Computing representations for atomistic machine learning, https://github.com/luthaf/rascaline

# install the full project
pip install --extra-index-url https://luthaf.fr/nightly-wheels/ rascaline

Adding a new project

1. copy one of the workflow in .github/workflows to <new-project.yml> and edit it to build the wheels in the build-wheels job
2. open a PR with these changes, make sure CI passes and merge it
3. add the new project folder to the index.html file on the gh-pages branch