From bfcdae2a6cfd17d18404546843e24edd9930b540 Mon Sep 17 00:00:00 2001 From: "Ryan M. Richard" Date: Tue, 15 Sep 2026 12:42:33 -0500 Subject: [PATCH 1/4] 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. From 40c6fd25db703e12add3844463b47aa170ecbb0f Mon Sep 17 00:00:00 2001 From: "Ryan M. Richard" Date: Tue, 15 Sep 2026 14:30:34 -0500 Subject: [PATCH 2/4] 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. From b925cba374149b6e0834e55147bae745d2fe834b Mon Sep 17 00:00:00 2001 From: "Ryan M. Richard" Date: Tue, 15 Sep 2026 15:31:43 -0500 Subject: [PATCH 3/4] 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. From 8ea04154422d5012a1937170bd602be4be02295e Mon Sep 17 00:00:00 2001 From: "Ryan M. Richard" Date: Wed, 16 Sep 2026 13:37:34 -0500 Subject: [PATCH 4/4] 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