Add AtomMappingError
#732
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| name: "conda_cron" | |
| on: | |
| # Allow for manual trigger of workflow | |
| workflow_dispatch: | |
| schedule: | |
| # At 07:00 UTC every day | |
| - cron: "0 7 * * *" | |
| pull_request: | |
| branches: | |
| - main | |
| concurrency: | |
| group: "${{ github.workflow }}-${{ github.ref }}" | |
| cancel-in-progress: true | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| condacheck: | |
| runs-on: ${{ matrix.OS }} | |
| name: "daily conda check" | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: ['ubuntu-latest', 'macos-latest'] | |
| python-version: | |
| - "3.10" | |
| - "3.11" | |
| - "3.12" | |
| steps: | |
| - name: setup micromamba | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-name: gufe | |
| cache-environment: true | |
| cache-downloads: true | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| pip | |
| condarc: | | |
| channels: | |
| - jaimergp/label/unsupported-cudatoolkit-shim | |
| - conda-forge | |
| init-shell: bash | |
| - name: install gufe and deps | |
| run: | | |
| micromamba install gufe pytest pytest-xdist pip -c conda-forge | |
| python -m pip install PyGithub | |
| - id: run-tests | |
| name: run tests | |
| run: pytest -n auto --pyargs gufe | |
| - uses: actions/checkout@v4 | |
| if: ${{ always() }} | |
| - name: raise-or-close-issue | |
| if: ${{ always() }} | |
| env: | |
| CI_OUTCOME: ${{ steps.run-tests.outcome }} | |
| TITLE: "[CI] CONDA CRON FAILURE ${{ matrix.os }} python ${{ matrix.python-version }}" | |
| GITHUB_TOKEN: ${{ github.token }} | |
| run: python devtools/raise-or-close-issue.py |