Add GoFlow and RitS TS search adapters #1270
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| name: github pages | |
| on: | |
| push: | |
| branches: [ main, docs ] | |
| pull_request: | |
| branches: [ main, docs ] | |
| types: [opened, synchronize, reopened, ready_for_review] | |
| jobs: | |
| deploy: | |
| runs-on: ubuntu-latest | |
| steps: | |
| # ── clone ARC repo ─────────────────────────────────────────── | |
| - name: Checkout ARC | |
| uses: actions/checkout@v6 | |
| with: | |
| repository: ReactionMechanismGenerator/ARC | |
| path: ARC | |
| fetch-depth: 1 | |
| # ── rmg_env for Arkane/database availability ─────────────── | |
| - name: Set up micromamba (rmg_env) | |
| uses: mamba-org/setup-micromamba@v3 | |
| with: | |
| environment-name: rmg_env | |
| create-args: >- | |
| -c rmg -c conda-forge python=3.9 numpy<2 rmg=3.3.0 connie::symmetry | |
| cache-environment: true | |
| cache-downloads: true | |
| generate-run-shell: false | |
| # ── docs env (wrapper shell) ──────────────────────────────── | |
| - name: Set up micromamba (arc_env) | |
| uses: mamba-org/setup-micromamba@v3 | |
| with: | |
| environment-name: arc_env | |
| environment-file: ARC/environment.yml | |
| condarc: | | |
| channels: | |
| - conda-forge | |
| - danagroup | |
| cache-environment: true | |
| cache-environment-key: py314v3-arc-env | |
| cache-downloads: true | |
| generate-run-shell: true | |
| # ── Complie ARC ────────────────────── | |
| - name: Build ARC in arc_env | |
| run: make compile -C ARC -j"$(nproc)" | |
| shell: micromamba-shell {0} | |
| # ── minimal TeX for png‑math in Sphinx ────────────────────── | |
| - name: System TeX tools | |
| run: sudo apt-get update -y && sudo apt-get -y install texlive-latex-extra dvipng | |
| # ── add legacy ABI runtime for NumPy/PyDAS ───────────────── | |
| - name: Add legacy gfortran runtime | |
| run: micromamba install -y -n arc_env -c conda-forge libgfortran=3 | |
| shell: micromamba-shell {0} | |
| # ── ensure ase is installed (the danagroup channel and/or | |
| # libgfortran install can cause the solver to drop ase) | |
| - name: Ensure ase is installed | |
| run: pip install "ase>=3.22.1" && python -c "import ase; print(f'ase {ase.__version__} OK')" | |
| shell: micromamba-shell {0} | |
| # ── build HTML docs ───────────────────────────────────────── | |
| - name: Set env vars & Build docs | |
| run: | | |
| export RMG_DB_PATH="$MAMBA_ROOT_PREFIX/envs/rmg_env/share/RMG-database" | |
| export PYTHONPATH="$GITHUB_WORKSPACE/ARC:$PYTHONPATH" | |
| export PATH="$GITHUB_WORKSPACE/ARC:$PATH" | |
| make -C ARC/docs html | |
| shell: micromamba-shell {0} | |
| - name: List built docs | |
| run: ls -R ARC/docs/build/html | |
| # ── deploy only on push ───────────────────────────────────── | |
| - name: Deploy to GitHub Pages | |
| if: github.event_name == 'push' | |
| uses: peaceiris/actions-gh-pages@v4 | |
| with: | |
| github_token: ${{ secrets.GITHUB_TOKEN }} | |
| publish_dir: ./ARC/docs/build/html/ |