add support atomwise rmax for sktb module #612
Workflow file for this run
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| name: DeePTB tests. | |
| on: | |
| pull_request: | |
| paths-ignore: | |
| - 'docs/**' | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| outputs: | |
| output1: ${{ steps.s1.outputs.test }} | |
| output2: ${{ steps.s2.outputs.test }} | |
| if: github.repository_owner == 'deepmodeling' | |
| container: ghcr.io/deepmodeling/deeptb:latest | |
| steps: | |
| - name: Checkout | |
| id: s1 | |
| uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| ref: "refs/pull/${{ github.event.number }}/merge" | |
| - name: Add safe directory | |
| run: | | |
| git config --global --add safe.directory ${GITHUB_WORKSPACE} | |
| - name: Install DeePTB & Run Test | |
| id: s2 | |
| run: | | |
| bash ut.sh | |
| job2: | |
| runs-on: ubuntu-latest | |
| needs: build | |
| steps: | |
| - env: | |
| OUTPUT2: ${{needs.build.outputs.output2}} | |
| OUTPUT3: ${{needs.build.outputs.output3}} | |
| run: echo "$OUTPUT1 $OUTPUT2" |