Deployment - conda environments #19
Workflow file for this run
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| --- | |
| name: Deployment - conda environments | |
| on: | |
| push: | |
| branches: | |
| - master | |
| paths: | |
| - 'devtools/conda-envs/alchemiscale-*.yml' | |
| workflow_dispatch: | |
| jobs: | |
| deploy-conda-env: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| env-name: | |
| - alchemiscale-client | |
| - alchemiscale-server | |
| - alchemiscale-compute | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v2 | |
| - name: ensure we only have one instance running | |
| uses: softprops/turnstyle@v1 | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GH_DANGERBOT_TOKEN_LIMITED }} | |
| with: | |
| abort-after-seconds: 60 | |
| #- name: Cache conda | |
| # uses: actions/cache@v2 | |
| # env: | |
| # CACHE_NUMBER: 0 | |
| # with: | |
| # path: ~/conda_pkgs_dir | |
| # key: | |
| # ${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{ | |
| # hashFiles('devtools/conda-envs/${{ matrix.env-name }}.yml') }} | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - name: Configure conda; test creation of environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| #python-version: 3.9 | |
| auto-update-conda: true | |
| use-mamba: true | |
| miniforge-variant: Mambaforge | |
| activate-environment: ${{ matrix.env-name }} | |
| environment-file: devtools/conda-envs/${{ matrix.env-name }}.yml | |
| #use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly! | |
| #auto-activate-base: false | |
| - name: Environment Information | |
| shell: bash -l {0} | |
| run: | | |
| conda info | |
| conda list | |
| - name: Deploy conda env | |
| shell: bash -l {0} | |
| env: | |
| ANACONDA_TOKEN: ${{ secrets.ANACONDA_TOKEN }} | |
| run: | | |
| mamba install -y anaconda-client | |
| anaconda -t ${ANACONDA_TOKEN} upload --user openforcefield devtools/conda-envs/${{ matrix.env-name }}.yml |