Improve usage of C library from installed Python package

Luthaf / rascaline

Computing representations for atomistic machine learning

https://luthaf.fr/rascaline/

BSD 3-Clause "New" or "Revised" License

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Improve usage of C library from installed Python package #172

Closed Luthaf closed 1 year ago

Luthaf commented 1 year ago

This feature is used in rascaline-torch. This PR does three things:

move find_package(equistore) to a later stage, otherwise it overwrites the PACKAGE_PREFIX_DIR variable
do not include equistore cmake files in rascaline wheel
add checks that the installation contains all the required files

:books: Documentation preview :books:: https://rascaline--172.org.readthedocs.build/en/172/

github-actions[bot] commented 1 year ago

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system