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Luthaf / rascaline

Computing representations for atomistic machine learning
https://luthaf.fr/rascaline/
BSD 3-Clause "New" or "Revised" License
44 stars 13 forks source link

Do not include equistore in python wheels #170

Closed Luthaf closed 1 year ago

Luthaf commented 1 year ago

We are always using libequistore.so from the corresponding Python package, and I just learned about the --exclude flag to auditwheel repair, which is intended for this exact use case.

:books: Documentation preview :books:: https://rascaline--170.org.readthedocs.build/en/170/

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

ceriottm commented 1 year ago

What are the implications? End of "usage depends on order of installation" nightmare?

Luthaf commented 1 year ago

unfortunately no, we will have some order of install issues until we can make releases with stability guarantees.

libequistore.so was included in the wheel only to satisfy auditwheel, and never used by the code. This will mainly reduce the size of the downloaded wheels (and remove a potential footgun when someone tries to use rascaline without having equistore installed)