Merge pull request #1199 from pyiron/pysqa_update #3336
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| # This workflow is used to check the compatibility with the pyiron_atomistics | |
| name: Compatibility with pyiron_atomistics | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| branches: [ main ] | |
| types: [labeled, opened, synchronize, reopened] | |
| jobs: | |
| build: | |
| if: | | |
| github.event_name == 'push' || | |
| ( github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'integration' )) | |
| runs-on: ${{ matrix.operating-system }} | |
| strategy: | |
| matrix: | |
| include: | |
| - operating-system: macos-latest | |
| python-version: '3.10' | |
| label: osx-64-py-3-10 | |
| prefix: /Users/runner/miniconda3/envs/my-env | |
| - operating-system: windows-latest | |
| python-version: '3.10' | |
| label: win-64-py-3-10 | |
| prefix: C:\Miniconda3\envs\my-env | |
| - operating-system: ubuntu-latest | |
| python-version: '3.10' | |
| label: linux-64-py-3-10 | |
| prefix: /usr/share/miniconda3/envs/my-env | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: pyiron_atomistic | |
| run: | | |
| pip install PyYAML | |
| git clone https://github.com/pyiron/pyiron_atomistics ../pyiron_atomistics | |
| grep -v "pyiron_base" ../pyiron_atomistics/.ci_support/environment.yml > ../pyiron_atomistics/environment.yml | |
| python .ci_support/condamerge.py --base .ci_support/environment.yml --add ../pyiron_atomistics/environment.yml > environment.yml | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| miniforge-variant: Mambaforge | |
| channels: conda-forge | |
| channel-priority: strict | |
| activate-environment: my-env | |
| use-mamba: true | |
| - name: Set cache date and number | |
| run: | | |
| echo "DATE=$(date +'%Y%m%d')" >> $GITHUB_ENV | |
| cat .github/variables/cache_number.env >> $GITHUB_ENV | |
| - uses: actions/cache@v2 | |
| with: | |
| path: ${{ matrix.prefix }} | |
| key: ${{ matrix.label }}-conda-${{ hashFiles('environment.yml') }}-${{ env.DATE }}-${{ env.CACHE_NUMBER }} | |
| id: cache | |
| - name: Update environment | |
| run: mamba env update -n my-env -f environment.yml | |
| if: steps.cache.outputs.cache-hit != 'true' | |
| - name: pyironconfig | |
| shell: bash -l {0} | |
| run: | | |
| cd ../pyiron_atomistics | |
| python .ci_support/pyironconfig.py | |
| cd ../pyiron_base | |
| - name: Install pyiron_atomistics | |
| shell: bash -l {0} | |
| run: | | |
| cd ../pyiron_atomistics | |
| pip install --no-deps . | |
| cd ../pyiron_base | |
| - name: Install pyiron_base | |
| shell: bash -l {0} | |
| run: | | |
| pip install --no-deps . | |
| - name: Test | |
| shell: bash -l {0} | |
| timeout-minutes: 30 | |
| run: | | |
| cd ../pyiron_atomistics | |
| python -m unittest discover tests/ |