queue: mdtraj CI running, PR #2639 opened

Author: luhenry

.queue.yml

@@ -7555,10 +7555,10 @@ packages:
 - pkg: mdtraj
   version: 1.11.1.post2
   home: http://mdtraj.org
-  repo: http://mdtraj.org
-  status: queued
-  pr: null
-  notes: '8 Linux wheels upstream (abi: cp311,cp312,cp313,cp314); no riscv64 on PyPI or pypi.riseproject.dev.'
+  repo: https://github.com/mdtraj/mdtraj
+  status: ci-running
+  pr: https://github.com/riseproject-dev/python-wheels/pull/2639
+  notes: 'PR #2639 opened (draft); first CI run 37030629603. 8 Linux wheels upstream (abi: cp311-cp314); no riscv64 on PyPI or pypi.riseproject.dev. Cython/C/C++ extensions (xtc/trr/dcd/dtr readers, RMSD, geometry kernels) with OpenMP; every SSE/NEON path in mdtraj/rmsd and mdtraj/geometry has a generic fallback (#else -> *_generic.h) and basesetup.py only adds -msse* when the compiler probe succeeds, so riscv64 builds the generic kernels with no patch. No dynamic/guided OpenMP schedules (gotcha 166 not in play). Mirrors upstream''s cibuildwheel build.yaml at the tag (cp3x, glibc only, skips musllinux and cp31?t) and runs main.yaml''s pytest -n logical suite against the wheel with CIBW_TEST_SOURCES tests+pyproject.toml; test deps = extras[all] (tables/networkx/netCDF4/pandas<3) + gsd (built from sdist in the test env); openmm has no riscv64 build, its tests skipif. Registry coverage checked: numpy<2.5 -> 2.4.3 cp311-cp314, scipy, pandas 2.3.3, tables cp311-abi3, blosc2 4.11.0 cp311-abi3, numexpr/netcdf4/cftime/ndindex/msgpack/pydantic-core cp312-cp314 (all in PIP_ONLY_BINARY). Upstream''s x86 wheel vendors libgomp via auditwheel, so a gpl_sources (gcc) job is wired. One patch (To upstream): adds LICENSE.{vmd-plugins,dtrplugin,xdrfile,munkres,openmm} at the root - those BSD/UIUC/MIT notices live only in source headers and no published wheel ships them; new untracked files keep versioneer''s describe clean. Worktree .claude/worktrees/mdtraj, branch mdtraj.'
 - pkg: fastjet
   version: 3.5.1.4
   home: https://fastjet.readthedocs.io