Update cache #123
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: Update cache | |
| on: | |
| schedule: | |
| - cron: "0 0 */7 * *" | |
| push: | |
| branches: | |
| - main | |
| jobs: | |
| update_cache: | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -el {0} | |
| steps: | |
| - name: Clean Ubuntu Image | |
| uses: kfir4444/free-disk-space@main | |
| with: | |
| # This may remove tools actually needed - currently does not | |
| tool-cache: true | |
| android: true | |
| dotnet: true | |
| haskell: true | |
| large-packages: true | |
| swap-storage: true | |
| - name: Checkout T3 | |
| uses: actions/[email protected] | |
| - name: Cache RMG | |
| id: cache-rmg | |
| uses: actions/[email protected] | |
| with: | |
| path: RMG-Py | |
| key: ${{ runner.os }}-rmg-main | |
| - name: Checkout RMG | |
| uses: actions/[email protected] | |
| with: | |
| repository: ReactionMechanismGenerator/RMG-Py | |
| path: RMG-Py | |
| ref: main | |
| fetch-depth: 1 | |
| - name: Cache RMG-database | |
| id: cache-rmg-db | |
| uses: actions/[email protected] | |
| with: | |
| path: RMG-database | |
| key: ${{ runner.os }}-rmgdb-main | |
| - name: Checkout RMG-database | |
| uses: actions/[email protected] | |
| with: | |
| repository: ReactionMechanismGenerator/RMG-database | |
| path: RMG-database | |
| ref: main | |
| fetch-depth: 1 | |
| - name: Cache ARC | |
| id: cache-arc | |
| uses: actions/[email protected] | |
| with: | |
| path: ARC | |
| key: ${{ runner.os }}-arc-main | |
| - name: Checkout ARC | |
| uses: actions/[email protected] | |
| with: | |
| repository: ReactionMechanismGenerator/ARC | |
| path: ARC | |
| ref: main | |
| fetch-depth: 1 | |
| - name: Setup RMG-Py Env | |
| uses: conda-incubator/[email protected] | |
| with: | |
| miniforge-variant: Mambaforge | |
| miniforge-version: latest | |
| activate-environment: rmg_env | |
| use-mamba: true | |
| - name: Cache RMG-Py env | |
| uses: actions/[email protected] | |
| with: | |
| path: ${{ env.CONDA }}/envs/rmg_env | |
| key: | |
| conda-${{ runner.os }}--${{ runner.arch }}-rmgpyenv-${{ env.CACHE_NUMBER}} | |
| env: | |
| # Increase this value to reset cache if etc/example-environment.yml has not changed | |
| CACHE_NUMBER: 0 | |
| id: cache | |
| - name: Update environment | |
| run: mamba env update -n rmg_env -f RMG-Py/environment.yml | |
| - name: Cythonize RMG-Py | |
| run: | | |
| cd RMG-Py | |
| conda activate rmg_env | |
| make clean | |
| make | |
| echo "PYTHONPATH=$(pwd):$PYTHONPATH" >> $GITHUB_ENV | |
| echo "PATH=$(pwd):$PATH" >> $GITHUB_ENV | |
| echo "export rmgpy_path=$(pwd)" >> $GITHUB_ENV | |
| echo "PYTHONPATH=$(pwd):$PYTHONPATH" >> ~/.bashrc | |
| echo "PATH=$(pwd):$PATH" >> ~/.bashrc | |
| echo "export rmgpy_path=$(pwd)" >> ~/.bashrc | |
| - name: Install PyCall RMG_ENV | |
| run: python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()" | |
| - name: Install RMS Julia | |
| run: julia -e 'using Pkg; Pkg.add(PackageSpec(name="PyCall",rev="master"));Pkg.build("PyCall");Pkg.add(PackageSpec(name="ReactionMechanismSimulator",rev="main")); using ReactionMechanismSimulator;' | |
| - name: Install PyCall RMG_ENV | |
| run: python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()" | |
| - name: Install ARC | |
| run: | | |
| cd ARC | |
| mamba env create -f environment.yml | |
| conda activate arc_env | |
| echo "export arc_path=$(pwd)" >> $GITHUB_ENV | |
| echo "PYTHONPATH=$(pwd):$PYTHONPATH" >> $GITHUB_ENV | |
| echo "PATH=$(pwd):$PATH" >> $GITHUB_ENV | |
| echo "PYTHONPATH=$(pwd):$PYTHONPATH" >> ~/.bashrc | |
| echo "PATH=$(pwd):$PATH" >> ~/.bashrc | |
| echo "export arc_path=$(pwd)" >> ~/.bashrc | |
| cd .. | |
| - name: Install xtb | |
| run: | | |
| mamba create -n xtb_env python=3.7 -c conda-forge -y | |
| conda activate xtb_env | |
| mamba install -c conda-forge xtb -y | |
| mamba install -c anaconda pyyaml -y | |
| - name: Cache Conda Packages | |
| uses: actions/[email protected] | |
| env: | |
| CACHE_NUMBER: 0 | |
| with: | |
| path: ~/conda_pkgs_dir | |
| key: | |
| ${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('environment.yml') }}-t3 | |
| - name: Install T3 | |
| run: | | |
| mamba env create -f environment.yml |