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WIP: Implement cibuildwheel pipeline for libcint distribution#249

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dhruvch12 wants to merge 2 commits intotheochem:masterfrom
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WIP: Implement cibuildwheel pipeline for libcint distribution#249
dhruvch12 wants to merge 2 commits intotheochem:masterfrom
dhruvch12:master

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@dhruvch12
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Addresses #229

Description

This is a Draft PR to prototype an automated cibuildwheel pipeline via GitHub Actions. The goal is to solve the PyPi distribution issues by compiling libcint inside isolated manylinux/mac/windows runners and generating pre-compiled wheels.

Current Progress

  • Initialized cibuildwheel workflow.
  • Configured CIBW_BEFORE_ALL to install CMake and build libcint from source inside the runner environment before the Python build process begins.
  • Verify successful Linux .whl generation.
  • Expand matrix to Windows and macOS runners.
  • Establish Python/C interface standardization for new integrals.

Note to Mentors

I am opening this as a draft to share my progress on the GSoC 2026 Issue #229. I am currently monitoring the runner logs to ensure the CMake linking step correctly exposes the C-headers to the GBasis setup process. Feedback on the build strategy is highly appreciated!

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