Pull request template (#1179) #1034
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| name: Deploy and test ersilia on PR | |
| on: | |
| pull_request: | |
| branches: [ master ] | |
| push: | |
| branches: [ master ] | |
| workflow_dispatch: | |
| permissions: | |
| contents: read | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@a5ac7e51b41094c92402da3b24376905380afc29 # [email protected] | |
| - name: Add conda to system path | |
| run: echo $CONDA/bin >> $GITHUB_PATH | |
| - name: Set Python to 3.10.10 | |
| run: | |
| conda install -y python=3.10.10 | |
| - name: Source conda | |
| run: source $CONDA/etc/profile.d/conda.sh | |
| - name: Install dependencies | |
| run: | | |
| source activate | |
| conda init | |
| conda install git-lfs -c conda-forge | |
| git-lfs install | |
| conda install gh -c conda-forge | |
| - name: Install Ersilia | |
| run: | | |
| source activate | |
| python --version | |
| echo "After conda init" | |
| conda init | |
| python -m pip install -e .[test] | |
| - name: Hub catalog | |
| run: | | |
| ersilia catalog | |
| - name: Fetch model from GitHub | |
| run: | | |
| source activate | |
| ersilia -v fetch molecular-weight --from_github | |
| echo "Serving molecular-weight model." | |
| ersilia serve molecular-weight | |
| ersilia info | |
| ersilia run -i "CC(=O)OC1=CC=CC=C1C(=O)O" | grep "180.15899" | |
| ersilia close | |
| - name: Fetch model from S3 | |
| run: | | |
| source activate | |
| ersilia -v fetch molecular-weight --from_s3 | |
| echo "Serving molecular-weight model." | |
| ersilia serve molecular-weight | |
| ersilia info | |
| ersilia run -i "CC(=O)OC1=CC=CC=C1C(=O)O" | grep "180.15899" | |
| ersilia close | |
| - name: Fetch model from DockerHub | |
| run: | | |
| source activate | |
| ersilia -v fetch molecular-weight --from_dockerhub | |
| echo "Serving molecular-weight model." | |
| ersilia serve molecular-weight | |
| ersilia info | |
| ersilia run -i "CC(=O)OC1=CC=CC=C1C(=O)O" | grep "180.15899" | |
| ersilia close | |
| - name: Local catalog | |
| run: | | |
| ersilia catalog --local |