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Rebuild against nwxcmake 0.2.3 - #174

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rebuild_against_nwxcmake_0_2_3
Sep 15, 2026
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rebuild_against_nwxcmake_0_2_3

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Summary

  • Part of the ecosystem config-dependency rollout (NWXCMake#88 -> 0.2.3).
    This package's published wheel bundles a stale, pre-rollout copy of
    lib/cmake/simde (and other transitive dependencies') Config.cmake --
    discovered because it collides with the freshly-rebuilt
    nwchemex-simde 0.0.81 when both install into the same site-packages
    prefix, e.g. via SCF's pip install nwchemex integration test
    (Reenables building MacOS PyPI package SCF#73, Verify green after ecosystem rollout SCF#74).
  • Empty release-trigger commit, no code changes.

Test plan

  • CI green
  • After merge, spot-check the published wheel's bundled simde/chemist
    Config.cmake is now correct (same technique used throughout this
    rollout)

🤖 Generated with Claude Code

Part of the ecosystem config-dependency rollout: this package's
published wheel bundles a stale, pre-rollout lib/cmake/simde (and
other transitive deps') Config.cmake, which collides with the fixed
nwchemex-simde 0.0.81 when both install into the same site-packages
tree -- e.g. via `pip install nwchemex` in SCF's integration test.
Empty release-trigger commit, no code changes.
@ryanmrichard
ryanmrichard merged commit 01298f4 into master Sep 15, 2026
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@ryanmrichard
ryanmrichard deleted the rebuild_against_nwxcmake_0_2_3 branch September 15, 2026 17:05
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🚀 [bumpr] Bumped!
New version:v0.0.68
Changes:v0.0.67...v0.0.68

ryanmrichard added a commit to NWChemEx/SCF that referenced this pull request Sep 18, 2026
* Verify green after full ecosystem rollout

SCF#74 re-ran test_cmake_build against the newly-fixed nwchemex-scf
0.0.61, but still failed with the same "nwx::simde link interface
contains nwx::chemist but the target was not found" error. Diagnosis:
`pip install nwchemex` also transitively installs nwchemex-integrals,
nwchemex-chemcache, and nwchemex-nux -- three more packages, never
part of the original 6-repo rebuild list, that each bundle their own
stale pre-rollout lib/cmake/simde (and other transitive deps') Config
files. Any one of them installing after nwchemex-simde clobbers the
correct config with the old broken one.

All three have now been rebuilt against nwxcmake 0.2.3 and verified
correct (NWChemEx/Integrals#174, NWChemEx/ChemCache#101, NWChemEx/NUX#15
-- nwchemex-integrals 0.0.68, nwchemex-chemcache 1.1.25,
nwchemex-nux 0.0.22 all confirmed to declare find_dependency(chemist)
and find_dependency(pluginplay) instead of the bare stub). This empty
commit re-runs test_cmake_build to confirm the collision is finally
gone.

* Re-trigger against nwxcmake 0.2.4

The previous run raced PyPI: its jobs started ~70s after 0.2.4 published,
before the index propagated, so they installed 0.2.3 and hit the same
pybind11 duplicate-target error NWXCMake#89 fixes. pip resolves 0.2.4
now, so this run gets the fix.

* Re-trigger against nwxcmake 0.2.5

NWXCMake#90 adds Development.Embed/Python::Python to test executables
built by catch2_tests_from_dir, gated on BUILD_PYBIND11_BINDINGS. That
supplies the libpython these C++ test exes were missing: ~622 undefined
Py* at link on Linux, and on macOS a clean link that died at startup on
"dyld: symbol not found in flat namespace '_PyBaseObject_Type'".

Confirmed pip resolves 0.2.5 before pushing this time -- the previous
re-trigger raced PyPI's index and silently reused the old version.

* Re-trigger against .github 440cd7a (appleclang leg)

Smoke-tests the new macos-14/appleclang dev_matrix leg, which no CI job in
the org has run yet. The Linux legs are still expected to fail until the
ecosystem wheels are rebuilt on manylinux_2_28.

Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>

---------

Co-authored-by: Claude Opus 5 <noreply@anthropic.com>
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