Vmap predict option #93
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| name: Test MDL on CPU | |
| on: | |
| push: | |
| branches: [ "main" ] | |
| pull_request: | |
| branches: [ "main" ] | |
| jobs: | |
| build-linux: | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -el {0} | |
| strategy: | |
| max-parallel: 5 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| miniforge-variant: Mambaforge | |
| miniforge-version: latest | |
| activate-environment: matdeeplearn | |
| use-mamba: true | |
| - name: Get Date | |
| id: get-date | |
| run: echo "today=$(/bin/date -u '+%Y%m%d')" >> $GITHUB_OUTPUT | |
| shell: bash | |
| - name: Create env.yaml | |
| run: | | |
| mamba install conda-merge | |
| conda-merge env.common.yaml env.cpu.yaml > env.yaml | |
| - name: Cache Conda env | |
| uses: actions/cache@v3 | |
| with: | |
| path: ${{ env.CONDA }}/envs | |
| key: | |
| conda-${{ runner.os }}--${{ runner.arch }}--${{ | |
| steps.get-date.outputs.today }}-${{ | |
| hashFiles('env.yaml') }}-${{ env.CACHE_NUMBER | |
| }} | |
| env: | |
| # Increase this value to reset cache if env.yaml has not changed | |
| CACHE_NUMBER: 0 | |
| id: cache | |
| - name: Update environment | |
| run: | | |
| cat env.yaml | |
| mamba env update -n matdeeplearn -f env.yaml | |
| if: steps.cache.outputs.cache-hit != 'true' | |
| - name: Lint with flake8 | |
| run: | | |
| mamba install flake8 | |
| # stop the build if there are Python syntax errors. Undefined names are ignored | |
| flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics --ignore F821 | |
| # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide | |
| flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics --ignore F821 | |
| - name: Test CPU dependencies | |
| run: | | |
| conda activate matdeeplearn | |
| python -m pip install -e . | |
| python scripts/main.py --help | |
| - name: Test with pytest | |
| run: | | |
| mamba install pytest | |
| export PYTHONPATH=matdeeplearn | |
| python -m pytest | |
| conda deactivate |