Refactor HPC scripts for CPU and GPU compatibility #20
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: CI | |
| on: | |
| pull_request: | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -el {0} | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| - name: Generate cache key | |
| id: cache-key | |
| run: | | |
| # Create a hash from the environment file and PyTorch CPU install string | |
| ENV_HASH=$(sha256sum toolbox_env_conda.yml | cut -d' ' -f1) | |
| PYTORCH_SPEC="pytorch-cpuonly" | |
| CACHE_KEY="micromamba-${{ runner.os }}-${ENV_HASH}-${PYTORCH_SPEC}" | |
| echo "key=${CACHE_KEY}" >> $GITHUB_OUTPUT | |
| - name: Restore micromamba environment cache | |
| id: cache-restore | |
| uses: actions/cache/restore@v4 | |
| with: | |
| path: | | |
| ~/micromamba/envs | |
| ~/micromamba-bin | |
| key: ${{ steps.cache-key.outputs.key }} | |
| - name: Setup micromamba (cache miss) | |
| if: steps.cache-restore.outputs.cache-hit != 'true' | |
| uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: toolbox_env_conda.yml | |
| environment-name: tbe | |
| cache-environment: false | |
| cache-downloads: false | |
| micromamba-binary-path: ~/micromamba-bin/micromamba | |
| micromamba-root-path: ~/micromamba | |
| init-shell: bash | |
| - name: Initialize micromamba from cache (cache hit) | |
| if: steps.cache-restore.outputs.cache-hit == 'true' | |
| run: | | |
| # Make micromamba available to subsequent steps without shell hooks | |
| echo "$HOME/micromamba-bin" >> "$GITHUB_PATH" | |
| echo "MAMBA_ROOT_PREFIX=$HOME/micromamba" >> "$GITHUB_ENV" | |
| - name: Install CPU-only PyTorch and dependencies | |
| if: steps.cache-restore.outputs.cache-hit != 'true' | |
| run: | | |
| ~/micromamba-bin/micromamba install -n tbe -y pytorch cpuonly -c pytorch -c conda-forge | |
| pip install esm | |
| - name: Save micromamba environment cache | |
| if: steps.cache-restore.outputs.cache-hit != 'true' | |
| uses: actions/cache/save@v4 | |
| with: | |
| path: | | |
| ~/micromamba/envs | |
| ~/micromamba-bin | |
| key: ${{ steps.cache-key.outputs.key }} | |
| - name: Run tests | |
| run: | | |
| ~/micromamba-bin/micromamba run -n tbe pytest ./tests |