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openmm: Add version 8.6.0 - #2651

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luhenry wants to merge 1 commit into
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@luhenry luhenry commented Oct 2, 2026 •

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Builds the OpenMM C++ libraries (Reference, CPU, PME, OpenCL, Amoeba/Drude/RPMD plugins) and their SWIG Python bindings. Upstream publishes no riscv64 wheel.

Mirrors upstream's BuildWheels.yml, using its packaging patches and scripts at that commit.

Differs from upstream

  • No CUDA/HIP wheels - neither toolkit exists for riscv64
  • C++ built once, bindings looped per interpreter - upstream rebuilds everything per Python
  • BUILD_TESTING=OFF - upstream compiles the ctest suite but never runs it
  • CPU platform uses OpenMM's own vectorize_portable.h fallback

Matrix: cp312/cp313/cp314 - upstream ships no free-threaded build.

Testing

  • upstream's testInstallation check, plus the wrappers/python/tests pytest suite from upstream's CI.yml

License: Wheel ships OpenMM (MIT) and its OpenCL plugins (LGPL-3.0); upstream's wheel carries no licence text, so the build adds it.

Patches

  • 0001-python-ship-the-licence-texts-in-the-wheel.patch - To upstream. Without it the wheel has no licence file. Reproduces on every platform.

Build OpenMM's C++ libraries (Reference, CPU, PME, OpenCL and the
Amoeba/Drude/RPMD plugins) once on riscv64 and its SWIG Python
bindings for cp312-cp314, following upstream's openmm-build-wheels
recipe and its packaging patches. On riscv64 the CPU platform uses
OpenMM's own vectorize_portable.h fallback.

Test each wheel with upstream's testInstallation check and the
wrappers/python test suite.
luhenry added a commit that referenced this pull request Oct 2, 2026
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github-actions Bot commented Oct 2, 2026

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PR Preview Action v1.8.1

QR code for preview link

🚀 View preview at
https://riseproject-dev.github.io/python-wheels/pr-preview/pr-2651/

Built to branch gh-pages at 2026-10-02 23:56 UTC.
Preview will be ready when the GitHub Pages deployment is complete.

@luhenry
luhenry marked this pull request as ready for review October 3, 2026 04:32

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