Docker Build #8
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| name: Docker Build | |
| on: | |
| # push: # Do NOT run on every push! | |
| # pull_request: (either on origin or on upstream pull request) | |
| schedule: | |
| # Run it every Tuesday at midnight. | |
| - cron: '0 0 * * 2' | |
| permissions: | |
| actions: read | |
| contents: read | |
| pull-requests: read | |
| jobs: | |
| docker_build: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| # NOTE: Use a matrix (instead of dockerBuild.sh) for parallelism | |
| dockerfile: [align_protein_ca_mda, align_protein_ca_pymol, atomselect, | |
| autodock_vina, autodock_vina_filter, bash_scripts, | |
| calculate_net_charge, generate_conformers, | |
| mol2_to_pdbqt, nmr4md, openbabel, | |
| remove_terminal_residue_name_prefixes, | |
| rename_residues_mol, combine_pdb, | |
| remove_terminal_residue_name_prefixes, molgan, | |
| pdbbind_refined, onionnet-sfct, smina] # No username for pdbind_refined | |
| # skip data/ and cwl_adapters/file_format_conversions/biosimspace/ | |
| runs-on: [ubuntu-latest] | |
| steps: | |
| - name: Checkout source code | |
| uses: actions/checkout@v3 | |
| - name: Docker Build scripts/ | |
| run: cd examples/scripts/ && docker build --no-cache --pull -f Dockerfile_${{ matrix.dockerfile }} -t polusai/mm_${{ matrix.dockerfile }} . |