Migrate CI/CD to NWChemEx org, master branch, real PyPI - #100
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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. Preserve the reference-data generation job, updating its hardcoded master refs to build_overhaul. Add tests/python/conftest.py with the session-scoped RuntimeView fixture needed for MPI init/finalize across pytest modules.
The build-system overhaul restructured C++ sources from src/chemcache to cxx/src/chemcache, but generate_reference_data.sh and merge.yaml's clang-format step still pointed at the old src/ path, so the codegen step failed writing to a nonexistent directory.
docs/source/conf.py reads version.txt from the repo root for the Sphinx build (same pattern chemist already uses), but ChemCache never had this file checked in, so the docs job's Sphinx step failed with ConfigError: FileNotFoundError.
…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 - Retarget reference-data-generation job's hardcoded build_overhaul branch 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.
version.txt was deleted directly on this branch but conf.py still read it. Port the git-tag versioning scheme already used by Chemist and SimDE post-migration, and declare the GitPython dependency it needs for docs builds.
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🚀 [bumpr] Bumped! |
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Part of the ecosystem-wide build/CI migration (see NWXCMake, PluginPlay, Chemist, SimDE).
ryanmrichard/.githubreferences toNWChemEx/.githubmerge.yaml/pull_request.yamltriggers frombuild_overhaultomasterbuild_overhaulbranch name tomaster(it would otherwise break oncebuild_overhaulis deleted post-merge)repository-url/extra_index_url, publish to real PyPIget_nwx_cmake.cmakeatNWChemEx/NWXCMakenwxcmake,simde) to published PyPI floors instead of git URLs