Interface to metatensor to use arbitrary machine learning models as collective variables #750
Workflow file for this run
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| name: "CodeQL" | |
| on: | |
| push: | |
| branches: [ "master" ] | |
| pull_request: | |
| branches: [ "master" ] | |
| schedule: | |
| - cron: "59 1 * * 2" | |
| jobs: | |
| analyze: | |
| name: Analyze | |
| runs-on: ubuntu-latest | |
| permissions: | |
| actions: read | |
| contents: read | |
| security-events: write | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| language: [ javascript, python, cpp ] | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Install Packages (cpp) | |
| if: ${{ matrix.language == 'cpp' }} | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get install --yes libboost-all-dev libgsl-dev libfftw3-dev libatlas-base-dev libopenmpi-dev | |
| - name: Configure (cpp) | |
| if: ${{ matrix.language == 'cpp' }} | |
| run: ./configure --enable-modules=all --disable-asmjit | |
| - name: Initialize CodeQL | |
| uses: github/codeql-action/init@v3 | |
| with: | |
| languages: ${{ matrix.language }} | |
| queries: +security-and-quality | |
| - name: Autobuild | |
| uses: github/codeql-action/autobuild@v3 | |
| - name: Perform CodeQL Analysis | |
| uses: github/codeql-action/analyze@v3 | |
| with: | |
| category: "/language:${{ matrix.language }}" |