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Build hydride's Cython relax extension for riscv64, mirroring upstream's cibuildwheel test_and_deploy.yml. Two patches: a backport of upstream's setup.py fix so the build-time fragment library compiles against biotite >= 1.0, and a cast at hydride's biotite CellList boundary so relax_hydrogen() works with biotite 1.7 (hydride issue #29).
luhenry
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… ci-running (PR #3225, 1.2.3), gtsam-develop -> parked (nightly, gotcha 581; port gtsam instead)
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Same mechanic as #3221/#3224:
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hydride1.2.3Compiles hydride's Cython
relaxextension and builds its fragment library from biotite's CCD at build time. Upstream publishes no riscv64 wheel.Mirrors upstream's
test_and_deploy.yml.Differs from upstream
Matrix: cp312/cp313/cp314 only; biotite (a build-time dependency) has no cp314t wheel.
Testing
tests/staged via test-sources; upstream runs from the checkout.License: OK
Patches
0001-Fix-setup-for-CCD-components-with-missing-coordinates.patch- Backport [https://github.com/biotite-dev/hydride/commit/bba37a77d314a02dce0e4f11fefd325455931a07]. setup.py aborts with biotite >= 1.0. Reproduces on x86.0002-relax-cast-biotite-CellList-inputs-outputs-for-biotite-1.7.patch- Issue [https://github.com/Hydride incompatible with biotite 1.7.1 biotite-dev/hydride#29].relax_hydrogen()raises dtype errors with biotite 1.7 (141 tests fail). Reproduces on x86.Local x86_64 build with both patches against biotite 1.7.1: 1327 passed.