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openbabel-wheel: Add version 3.1.1.23 - #3061

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@luhenry

@luhenry luhenry commented Oct 13, 2026 •

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Compiles Open Babel (CMake/SWIG, scikit-build-core) via a third-party wheel-packaging wrapper around the upstream cheminformatics toolkit. Upstream publishes no riscv64 wheel.

Mirrors upstream's own [tool.cibuildwheel], which is used as-is (build matrix, cmake defines, test-command); only the Linux native deps are overridden.

Differs from upstream

  • dnf install cairo-devel instead of building cairo 1.15.14 from source - manylinux2014's CentOS cairo-devel is broken for this; Rocky 10 (this image) ships a current one

Testing: same as upstream.

License: GPL-2.0 (Open Babel's own licence); no other library is vendored into the wheel.

CI pending.

Open Babel's own CMake/C++ source has no x86-specific code (checked
src/, src/formats/libinchi/ and the build scripts); upstream's
pyproject.toml already builds linux_aarch64 wheels with the same
cibuildwheel recipe, and swig/cmeel-eigen (the two build-time deps)
both ship riscv64-portable wheels on PyPI already. Only the Linux
before-all is overridden, installing cairo-devel from the (modern)
Rocky 10 image instead of building cairo 1.15.14 from source the way
upstream does to work around manylinux2014's broken CentOS cairo-devel.
@luhenry
luhenry marked this pull request as draft October 14, 2026 11:34

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