Migrate CI/CD to NWChemEx org, master branch, real PyPI - #170
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Retarget cmake/get_nwx_cmake.cmake and pyproject.toml's build-system dependency to ryanmrichard/NWXCMake@build_overhaul. Switch pull_request and merge workflows from NWChemEx/.github + test_nwx_library.yaml to ryanmrichard/.github + test_nwx_cmake_build.yaml, trigger on build_overhaul instead of master, and add the platform_matrix -> build_pypi_dist -> deploy_to_pypi job chain (TestPyPI), matching the pattern already validated on simde/chemist/tensorwrapper. Convert the Sigma and OpenMP test jobs from the old repo_toolchain CMake-toolchain-file mechanism (test_nwx_library.yaml only) to plain cmake_opts, since test_nwx_cmake_build.yaml has no toolchain-file input and both options are just CMake bools. The referenced enable_sigma.cmake toolchain file never existed in this repo, so that job was silently broken before this change. Add tests/python/conftest.py with the session-scoped RuntimeView fixture needed for MPI init/finalize across pytest modules.
libint2's own CMakeLists does its own find_package(Eigen3), unsatisfied by nwxcmake's FetchContent'd Eigen target; the manylinux/macOS cibuildwheel containers don't have an installed Eigen3 CMake config.
…ystem MPI on Linux, exact-soname auditwheel exclude)
- Repoint all ryanmrichard/.github references to NWChemEx/.github - Flip merge.yaml/pull_request.yaml triggers from build_overhaul to master - Drop TestPyPI repository-url/extra_index_url, publish to real PyPI - Repoint get_nwx_cmake.cmake at NWChemEx/NWXCMake - Pin sibling deps to published PyPI floors instead of git URLs
Pre-existing issue, unrelated to the migration -- first time check_formatting has ever actually run clean against this repo.
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🚀 [bumpr] Bumped! |
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Part of the ecosystem-wide build/CI migration (see NWXCMake, PluginPlay, Chemist, SimDE, ChemCache).
ryanmrichard/.githubreferences toNWChemEx/.githubmerge.yaml/pull_request.yamltriggers frombuild_overhaultomasterrepository-url/extra_index_url, publish to real PyPIget_nwx_cmake.cmakeatNWChemEx/NWXCMakenwxcmake,simde) to published PyPI floors instead of git URLs