Merge pull request #245 from IRL2/feature/non-omm-ase #856
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| on: [push] | |
| name: "Conda packaging" | |
| jobs: | |
| build-conda: | |
| name: Build conda packages | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| # This is necessary for the conda action. It replaces `conda init` as | |
| # the shell does not load ,profile or .bashrc. | |
| shell: bash -el {0} | |
| env: | |
| build_command: "conda-build --prefix-length=100 --no-test --no-anaconda-upload " | |
| steps: | |
| - uses: actions/checkout@v3 | |
| with: | |
| fetch-depth: 0 # We need all the history to figure out the version number | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| auto-update-conda: true | |
| miniforge-version: latest | |
| - name: Set environment variables | |
| run: | | |
| echo NANOVER_DOC_URL="https://irl2.github.io/nanover/" >> "$GITHUB_ENV" | |
| echo NANOVER_REPO_URL="https://github.com/IRL2/nanover-protocol" >> "$GITHUB_ENV" | |
| echo NANOVER_BUILD_VERSION="0.1.$(git rev-list --count HEAD)" >> "$GITHUB_ENV" | |
| echo NANOVER_LICENSE_PATH="$(readlink -f LICENSE)" >> "$GITHUB_ENV" | |
| echo MIN_PYTHON_VERSION=3.11 >> "$GITHUB_ENV" | |
| - name: Test that the repo is sane and does not contain superfluous __init__ file | |
| run: bash ./maintainers/check_extra_init_files.sh | |
| - name: Install dependencies | |
| run: conda install -y python conda-build "grpcio-tools<1.62" conda-verify | |
| - name: Compiling the prototypes | |
| run: python ./python-libraries/compile_proto.py --proto-dir=./protocol --python-dir=./python-libraries/nanover-core/src | |
| - name: Building the Conda packages | |
| run: | | |
| $build_command \ | |
| python-libraries/nanover-essd/conda \ | |
| python-libraries/nanover-core/conda \ | |
| python-libraries/nanover-openmm/conda \ | |
| python-libraries/nanover-ase/conda \ | |
| python-libraries/nanover-mdanalysis/conda \ | |
| python-libraries/nanover-omni/conda \ | |
| python-libraries/nanover-jupyter/conda \ | |
| python-libraries/nanover-server/conda | |
| - run: | | |
| mkdir artifacts | |
| cp -r ${CONDA_PREFIX}/conda-bld ./artifacts | |
| ls ./artifacts | |
| - name: Save the artifacts | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: conda-packages | |
| path: ./artifacts | |
| test-conda: | |
| name: Python tests | |
| strategy: | |
| matrix: | |
| os: [ubuntu-latest, windows-latest, macos-latest] | |
| runs-on: ${{ matrix.os }} | |
| continue-on-error: true | |
| needs: build-conda | |
| defaults: | |
| run: | |
| # This is necessary for the conda action. It replaces `conda init` as | |
| # the shell does not load ,profile or .bashrc. | |
| shell: bash -el {0} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| auto-update-conda: true | |
| miniforge-version: latest | |
| - name: Retrieve conda packages | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: conda-packages | |
| - name: Install NanoVer | |
| run: conda install -y -c conda-forge -c ./conda-bld nanover-server | |
| - name: Install tests dependancies | |
| run: python -m pip install -r python-libraries/requirements.test | |
| - name: Parallel tests | |
| run: python -m pytest --cov nanover python-libraries -n auto -m 'not serial' | |
| - name: Serial tests | |
| run: python -m pytest --cov nanover python-libraries -n 1 -m 'serial' | |
| publish-conda: | |
| name: Publish the conda packages on Anaconda cloud | |
| if: github.ref == 'refs/heads/main' | |
| runs-on: ubuntu-latest | |
| needs: test-conda | |
| defaults: | |
| run: | |
| # This is necessary for the conda action. It replaces `conda init` as | |
| # the shell does not load ,profile or .bashrc. | |
| shell: bash -el {0} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| auto-update-conda: true | |
| # WARNING! On the contrary to all the other places where we install | |
| # conda, we install miniconda and NOT miniforge! | |
| # This is because we do not need packages to RUN nanover, but packages | |
| # from the default (anaconda) channel to upload to anaconda. | |
| miniconda-version: latest | |
| - name: Retrieve conda packages | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: conda-packages | |
| - name: Install Anaconda | |
| run: conda install -y anaconda-client | |
| - name: Connect to Anaconda cloud | |
| # The login token may be used by a failed build already. If we are asked | |
| # if we want it back, we say yes. Hence the echo Y. | |
| run: echo Y | anaconda login --username irl_bot --password ${{ secrets.ANACONDA_PASSWORD }} | |
| - name: Upload packages | |
| # Anaconda will complain if the given version of a package is already | |
| # there. Until we have some versioning, we force the upload. | |
| run: anaconda upload --user irl conda-bld/noarch/nanover-*.tar.bz2 --force | |
| - name: Disconnect from Anaconda cloud | |
| # Do not fail the build if we cannot logout. | |
| run: anaconda logout || echo "Could not logout. Too bad." |