Migrate CI and dependencies from ryanmrichard to NWChemEx - #388
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…cmake_build Fork-test-only commit: points merge.yaml/pull_request.yaml at the ryanmrichard/.github fork's reusable workflows instead of the real NWChemEx/.github, triggers off build_overhaul (this fork's working branch), and swaps the older test_nwx_library job for test_nwx_cmake_build with Python tests enabled. Also retargets the NWXCMake FetchContent fallback to ryanmrichard/NWXCMake, since the nwx_set_version refactor this branch needs (and NWXCMake's retargeted parallelzone/utilities dependency fetches) only exist there. Adds tests/python/conftest.py with a session-scoped RuntimeView fixture, same as ParallelZone, so the reusable action's standalone `pytest -v` step works safely alongside the existing unittest aggregator script that CTest already runs.
isort: reorder imports so pluginplay/parallelzone/py_test_pluginplay group with no blank line, matching how CI's isort classifies them (they don't split cleanly into separate first/third-party sections). CMakeLists.txt: unit_test_pluginplay directly exercises the CPython C API (tests/cxx/unit_tests/pluginplay/python/python_wrapper.cpp), unlike the .so extension (built via pybind11_add_module, which intentionally links only Python::Module, not libpython, so the module can be loaded by any Python providing those symbols at runtime). A standalone executable embedding CPython calls needs libpython itself, via Python::Python (Development.Embed component), or linking fails with undefined references to _Py_Dealloc and friends.
The undefined-reference failures weren't limited to unit_test_pluginplay:
libpluginplay.so itself carries unresolved CPython symbols (python_wrapper.hpp
is a public header compiled into the library whenever BUILD_PYBIND11 is set),
so test_regression_pluginplay hit the same failure once it also linked the
library into an executable. Moving the Python::Python link onto
${PROJECT_NAME} itself (PUBLIC) fixes it for all three Catch2 test binaries
instead of patching them one at a time.
Ported from the old build system's nwx_add_pybind11_module(py_test_pluginplay SOURCE_DIR tests/python/unit_tests ...) call, which build_overhaul's CMakeLists.txt never got an equivalent for. The .cpp sources (test_pluginplay.cpp and friends, defining PYBIND11_MODULE(py_test_pluginplay, m)) were still present in tests/python/unit_tests/ but nothing built them, so `import py_test_pluginplay` in the Python test suite failed with ModuleNotFoundError.
Same gap as py_test_pluginplay: the old build system built this via
nwx_add_pybind11_module(${PROJECT_NAME}_examples SOURCE_DIR
tests/python/doc_snippets DEPENDS parallelzone ${PROJECT_NAME}
${PROJECT_NAME}_examples), where ${PROJECT_NAME}_examples was a small
library built from tests/cxx/doc_snippets. build_overhaul's CMakeLists.txt
never got an equivalent, so `import pluginplay_examples` in the Python
doc-snippet tests failed with ModuleNotFoundError.
Renames the 10 test-helper .cpp files under tests/python/unit_tests/ to export_*.cpp so they match nwx_python_module's existing source filter (all 10 compile into the same module: test_pluginplay.cpp's single PYBIND11_MODULE calls out to a def_submodule()-registering function in each of the others), then replaces the bespoke pybind11_add_module blocks for both py_test_pluginplay and pluginplay_examples with calls to the now-generalized nwx_python_module (NO_INSTALL, and DEPENDS for pluginplay_examples' extra link libraries).
…o fork Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
… publishing) Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
…ontainers Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
manylinux wheel-build containers deliberately don't ship libpython.so at all (portable wheels aren't supposed to assume one), so requiring Development.Embed unconditionally broke the wheel-build path there. The full libpython link (Python::Python) is only actually needed by the Catch2 test executables (an executable can't defer symbol resolution to runtime the way a shared library/extension can); the library itself only needs Python.h to compile, which Python::Module (Development.Module, always available) already provides without linking libpython. Verified end-to-end (docker quay.io/pypa/manylinux2014_x86_64): configures, builds, and `auditwheel repair` succeeds with BUILD_TESTING=OFF (the default for a non-editable wheel build). Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
…n the container) Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
…'s ambient MPI ABI)
…ystem MPI on Linux)
…exclude (glob patterns don't work on cibuildwheel v2.22.0's pinned auditwheel 6.1.0)
Repoints this repo's workflows at NWChemEx/.github (landed in NWChemEx/.github#187) instead of the ryanmrichard fork they were developed against, and switches merge.yaml's and pull_request.yaml's branch triggers from build_overhaul to master now that master is the ecosystem's working branch. Drops the test.pypi.org extra_index_url and repository-url overrides -- this repo's runtime dependencies (nwxcmake, utilities, parallelzone) are all now on real PyPI, so a merge to master can publish nwchemex-pluginplay there directly (trusted publisher registered). get_nwx_cmake.cmake's FetchContent fallback and pyproject.toml's runtime dependencies repoint at NWChemEx/NWXCMake, switching all three Python dependencies from git+ URLs to published floors (nwchemex-nwxcmake>=0.1.0, nwchemex-utilities>=0.1.45, nwchemex-parallelzone>=0.1.43).
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🚀 [bumpr] Bumped! |
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Summary
.github/workflows/{merge,pull_request,nightly}.yamlfromryanmrichard/.githubtoNWChemEx/.github(landed in Land the build/CI overhaul's shared workflows and actions .github#187), and switchesmerge.yaml's andpull_request.yaml's branch triggers frombuild_overhaultomaster.test.pypi.orgextra_index_url/repository-urloverrides -- this repo's runtime dependencies (nwxcmake, utilities, parallelzone) are all now on real PyPI, so a merge tomastercan publishnwchemex-pluginplaythere directly (trusted publisher registered).cmake/get_nwx_cmake.cmake's FetchContent fallback atNWChemEx/NWXCMake, and switches all three Python dependencies fromgit+URLs to published floors (nwchemex-nwxcmake>=0.1.0,nwchemex-utilities>=0.1.45,nwchemex-parallelzone>=0.1.43).Part of the ecosystem-wide migration off the
ryanmrichardpersonal fork/account.Test plan
NWChemEx/.githubreusable workflows)nwchemex-pluginplaypublishes to PyPI on merge, floored correctly