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Gh pages update (#795)
2 parents 80621b7 + 1054aab commit 9ba9803

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‎.github/workflows/gh-pages.yml‎

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on:
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push:
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branches:
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- main
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- docs
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branches: [ main, docs ]
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pull_request:
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branches: [ main, docs ]
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types: [opened, synchronize, reopened, ready_for_review]
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jobs:
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deploy:
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runs-on: ubuntu-latest
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defaults:
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run:
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shell: bash -l {0}
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steps:
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- uses: actions/checkout@v3
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# ── clone ARC repo ───────────────────────────────────────────
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- name: Checkout ARC
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uses: actions/checkout@v4
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with:
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repository: ReactionMechanismGenerator/ARC
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path: ARC
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fetch-depth: 1
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- name: Clean Ubuntu Image
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uses: kfir4444/free-disk-space@main
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with:
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# This may remove tools actually needed - currently does not
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tool-cache: true
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android: true
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dotnet: true
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haskell: true
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large-packages: true
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swap-storage: true
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# ── pull RMG sources ────────────────────────────────────────
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- name: Checkout RMG‑Py
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uses: actions/checkout@v4
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with:
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repository: ReactionMechanismGenerator/RMG-Py
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path: RMG-Py
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ref: 55464c54d1fa61b531e865682df598d33718597d
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fetch-depth: 1
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- name: Set up miniconda
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uses: conda-incubator/setup-miniconda@v3
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with:
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auto-update-conda: true
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environment-file: environment.yml
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activate-environment: arc_env
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miniconda-version: latest
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conda-solver: libmamba
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- name: Checkout RMG‑database
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uses: actions/checkout@v4
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with:
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repository: ReactionMechanismGenerator/RMG-database
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path: RMG-database
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fetch-depth: 1
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# - name: Update environment
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# run: |
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# conda env update -n arc_env -f environment.yml
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# conda list
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# ── build‑only env ───────────────────────────────────────────
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- name: Set up micromamba (rmg_env)
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uses: mamba-org/setup-micromamba@v2
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with:
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environment-name: rmg_env
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environment-file: RMG-Py/environment.yml
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cache-environment: true
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cache-downloads: true
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generate-run-shell: false
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- name: Install LaTeX
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run: |
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sudo apt update -y && sudo apt upgrade -y && sudo apt autoremove -y
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sudo apt install texlive-latex-base -y
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sudo apt-get install texlive-latex-extra -y
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sudo apt-get install -y dvipng
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- name: Build RMG‑Py in rmg_env
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run: micromamba run -n rmg_env make -C RMG-Py -j"$(nproc)"
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# ── docs env (wrapper shell) ────────────────────────────────
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- name: Set up micromamba (arc_env)
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uses: mamba-org/setup-micromamba@v2
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with:
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environment-name: arc_env
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environment-file: ARC/environment.yml
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cache-environment: true
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cache-downloads: true
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- name: Install codecov
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run: conda install --force-reinstall ld_impl_linux-64 -y && conda install -y -c conda-forge codecov
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# ── minimal TeX for png‑math in Sphinx ──────────────────────
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- name: System TeX tools
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run: sudo apt-get update -y && sudo apt-get -y install texlive-latex-extra dvipng
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- name: Install dependencies
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run: |
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export PYTHONPATH=$PYTHONPATH:$(pwd)
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conda activate arc_env
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cd ..
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git clone https://github.com/ReactionMechanismGenerator/RMG-database
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git clone https://github.com/ReactionMechanismGenerator/RMG-Py
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cd RMG-Py
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export PYTHONPATH=$PYTHONPATH:$(pwd)
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make
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cd ../ARC/
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conda deactivate
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# ── add legacy ABI runtime for NumPy/PyDAS ─────────────────
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- name: Add legacy gfortran runtime
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run: micromamba install -y -n arc_env -c conda-forge libgfortran=3
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shell: micromamba-shell {0}
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- name: Compile docs
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run: |
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export PYTHONPATH=$PYTHONPATH:$(pwd)
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conda activate arc_env
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cd ../RMG-Py
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export PYTHONPATH=$PYTHONPATH:$(pwd)
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cd ../ARC/docs/
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make html
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# ── build HTML docs ─────────────────────────────────────────
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- name: Build docs
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run: |
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export PYTHONPATH=$GITHUB_WORKSPACE/RMG-Py:$GITHUB_WORKSPACE/ARC:$PYTHONPATH
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export PATH=$GITHUB_WORKSPACE/ARC:$PATH
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make -C ARC/docs html
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shell: micromamba-shell {0}
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- name: Deploy
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uses: peaceiris/actions-gh-pages@v3.7.3
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with:
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github_token: ${{ secrets.GITHUB_TOKEN }}
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publish_dir: ./docs/build/html/
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# https://github.com/marketplace/actions/github-pages-action
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# ── deploy only on push ─────────────────────────────────────
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- name: Deploy to GitHub Pages
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if: github.event_name == 'push'
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uses: peaceiris/actions-gh-pages@v4
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with:
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github_token: ${{ secrets.GITHUB_TOKEN }}
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publish_dir: ./docs/build/html/

‎.github/workflows/update-cache.yml‎

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- cron: '0 0 */7 * *'
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push:
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branches: [ main ]
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pull_request:
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branches: [ main ]
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types: [opened, synchronize, reopened, ready_for_review]
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jobs:
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update_cache:
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# ────────── Update env & save to cache ──────────
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- name: Update environment
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run: mamba env update -n arc_env -f environment.yml
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run: conda env update -n arc_env -f environment.yml
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- name: Cache ARC env
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if: github.event_name == 'push'
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uses: actions/cache@v4
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with:
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path: ${{ env.CONDA }}/envs
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key: conda-${{ runner.os }}-${{ runner.arch }}-0
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‎environment.yml‎

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# ——— chemistry / RMG stack ————————————————
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- rmg::chemprop
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- rmg::pydas>=1.0.2
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- rmg::pydas>=1.0.3
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- rmg::pydqed>=1.0.1
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- rmg::pyrdl
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- rmg::lpsolve55

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