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Migrate CI/CD to NWChemEx org, master branch, real PyPI - #179

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ryanmrichard merged 20 commits into
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build_overhaul
Aug 6, 2026
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Migrate CI/CD to NWChemEx org, master branch, real PyPI#179
ryanmrichard merged 20 commits into
masterfrom
build_overhaul

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@ryanmrichard

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Part of the ecosystem-wide build/CI migration (see NWXCMake, PluginPlay, Chemist, etc.).

  • 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 (nwxcmake, pluginplay, chemist) to published PyPI floors instead of git URLs

ryanmrichard and others added 20 commits July 1, 2026 15:54
…cmake_build

Also adds a session-scoped RuntimeView pytest fixture (needed since chemist/
pluginplay-backed tests construct multiple objects that touch MPI), fixes a
missing .gitignore trailing newline, and fixes the workflow's stale
".github Pull Request Workflow" name.

Verified locally end-to-end (docker ubuntu:24.04 + gcc-14): configure,
build, full CTest suite (15/15), and pytest (82/82) all pass; pre-commit
(isort/black/flake8/clang-format/license-eye) all pass.

Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
…_index_url)

Co-Authored-By: Claude Sonnet 5 <noreply@anthropic.com>
…exclude (glob patterns don't work on cibuildwheel v2.22.0's pinned auditwheel 6.1.0)
- 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
@ryanmrichard
ryanmrichard merged commit 61878ef into master Aug 6, 2026
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@ryanmrichard
ryanmrichard deleted the build_overhaul branch August 6, 2026 15:18
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github-actions Bot commented Aug 6, 2026

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🚀 [bumpr] Bumped!
New version:v0.0.77
Changes:v0.0.76...v0.0.77

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