Fix hpmc potential energy calculation #673
Workflow file for this run
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| name: Test | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| on: | |
| pull_request: | |
| types: [opened, labeled, reopened, synchronize] | |
| push: | |
| branches: | |
| - "trunk-*" | |
| workflow_dispatch: | |
| jobs: | |
| start_action_runners: | |
| name: Start | |
| uses: glotzerlab/jetstream2-admin/.github/workflows/start.yaml@98f840ba341f72bf412100f2180d38c06e792b84 # v1.3.1 | |
| secrets: inherit | |
| typical: | |
| name: "${{ join(matrix.config, '') }}" | |
| needs: start_action_runners | |
| uses: ./.github/workflows/build_and_test.yaml | |
| with: | |
| compiler_family: ${{ matrix.config[0] }} | |
| compiler_version: ${{ matrix.config[1] }} | |
| python: ${{ matrix.config[3] }} | |
| config: ${{ join(matrix.config, '_') }} | |
| # Use self-hosted runners or fall back to GitHub hosted runners when self-hosted are offline. | |
| build_runner: ${{ needs.start_action_runners.outputs.active != '0' && '["self-hosted","jetstream2","CPU"]' || toJson('ubuntu-24.04') }} | |
| # Default to false when unset | |
| validate: ${{ matrix.validate && 'true' || 'false'}} | |
| release: false | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - config: [clang, 18, -py, 313, -mpi] | |
| validate: true | |
| - config: [gcc, 14, -py, 313] | |
| validate: true | |
| - config: [gcc, 14, -py, 313, -nomd] | |
| - config: [gcc, 14, -py, 313, -nohpmc] | |
| - config: [gcc, 14, -py, 313, -nomd, -nohpmc] | |
| - config: [gcc, 10, -py, 39, -mpi] | |
| - config: [cuda, 125, -py, 313, -mpi] | |
| validate: true | |
| - config: [cuda, 125, -py, 313] | |
| validate: true | |
| - config: [cuda, 125, -py, 313, -mpi, -debug] | |
| release: | |
| if: ${{ contains(github.event.pull_request.labels.*.name, 'release') }} | |
| name: "${{ join(matrix.config, '') }}" | |
| needs: start_action_runners | |
| uses: ./.github/workflows/build_and_test.yaml | |
| with: | |
| compiler_family: ${{ matrix.config[0] }} | |
| compiler_version: ${{ matrix.config[1] }} | |
| python: ${{ matrix.config[3] }} | |
| config: ${{ join(matrix.config, '_') }} | |
| # Use self-hosted runners or fall back to GitHub hosted runners when self-hosted are offline. | |
| build_runner: ${{ needs.start_action_runners.outputs.active != '0' && '["self-hosted","jetstream2","CPU"]' || toJson('ubuntu-24.04') }} | |
| # Default to false when unset | |
| validate: ${{ matrix.validate && 'true' || 'false'}} | |
| release: true | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - config: [clang, 17, -py, 313, -mpi] | |
| - config: [clang, 17, -py, 312, -mpi] | |
| - config: [clang, 16, -py, 312, -mpi] | |
| - config: [clang, 15, -py, 311, -mpi] | |
| - config: [clang, 14, -py, 310, -mpi] | |
| - config: [clang, 13, -py, 39, -mpi] | |
| - config: [gcc, 13, -py, 313, -mpi] | |
| - config: [gcc, 13, -py, 312, -mpi] | |
| - config: [gcc, 12, -py, 311, -mpi] | |
| - config: [gcc, 11, -py, 310, -mpi] | |
| - config: [gcc, 10, -py, 310, -mpi] | |
| tests_complete: | |
| name: Unit test | |
| if: always() | |
| needs: [typical] | |
| runs-on: ubuntu-24.04 | |
| steps: | |
| - run: jq --exit-status 'all(.result == "success")' <<< '${{ toJson(needs) }}' | |
| - name: Done | |
| run: exit 0 |