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Resolves #688.

This PR introduces Rust code into Biotite. To make it work along the existing Cython modules the build backend is switched back to setuptools, using setuptools-rust to build the Rust modules.

The Rust code ends up in a single compiled file, accessible via biotite.rust. However this module contains multiple submodules mimicing the structure of biotite itself. For example there is biotite.rust.structure.io.pdb.

As initial module this PR integrates fastpdb into Biotite, including some refactoring.

padix-key and others added 30 commits August 22, 2024 11:25
Use new PyO3 API to improve performance
Infer missing elements for consistency with Biotite
This is not supported by CodSpeed
Update pyo3 and numpy crate versions to support python 3.13
This makes the behavior using io.StringIO match the behavior when reading from a file
pad short lines when reading from non-file io
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3 participants