database-mqdt/.github/workflows/generate_database.yml at 1d0df2de1f5ccee0e528b07fdf772fd87430f701 · pairinteraction/database-mqdt · GitHub

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name: Generate Databases

on:
  push:
    branches: ["main"]
    tags: ["v*.*"]
  pull_request:
    types: [opened, reopened, synchronize]

jobs:
  run-generate-database:
    strategy:
      fail-fast: false
      matrix:
        species: [Sr87, Sr88, Yb171, Yb173, Yb174]
        include:
          # use n_max=220 for tags and main, but only n_max=110 for PRs, etc.
          - n_max: ${{ (startsWith(github.ref, 'refs/tags/') || contains(github.ref, 'main')) && 220 || 110 }}
          # for isotopes with hyperfine structure, we only include high-l states up to n=110 (otherwise the database size gets too large)
          - species: Sr87
            extra_args: "--n-max-high-l 110"
          - species: Yb171
            extra_args: "--n-max-high-l 110"
          - species: Yb173
            extra_args: "--n-max-high-l 110"
    name: ${{ matrix.species }}
    runs-on: ubuntu-latest
    timeout-minutes: 300
    permissions: # needed to allow julia-actions/cache to proactively delete old caches that it has created
      actions: write
      contents: read
    steps:
    - uses: actions/checkout@v6
      with:
        submodules: 'true'

    - uses: julia-actions/setup-julia@v2
      with:
        version: 1.12
        arch: x64
    - uses: julia-actions/cache@v3

    - name: Instantiate julia environment and link local MQDT.jl
      run: julia --project=. -e 'import Pkg; Pkg.develop(path="MQDT.jl"); Pkg.instantiate()'

    - name: Install and link local rydstate python package
      run: julia --project=. -e 'using CondaPkg; CondaPkg.withenv() do; run(`python -m pip install -e rydstate`); end'

    - name: Run generate_database
      run: julia --project=. generate_database.jl ${{ matrix.species }} --directory database --n-max ${{ matrix.n_max }} ${{ matrix.extra_args }}

    - name: Upload artifacts
      uses: actions/upload-artifact@v7
      with:
        name: database-${{ matrix.species }}
        path: |
          database/*/*.parquet


  github-release:
    name: Release database files to github releases
    if: startsWith(github.ref, 'refs/tags/')  # only release to github on tag pushes
    needs: [run-generate-database]
    runs-on: ubuntu-latest
    timeout-minutes: 15

    permissions:
      contents: write

    steps:
    - name: Download all the database files
      uses: actions/download-artifact@v8
      with:
        path: database
        pattern: database-*
        merge-multiple: true

    - name: Zip database folders
      working-directory: database/
      run: |
        VERSION_TAG=${GITHUB_REF#refs/tags/}
        for dir in */; do
          if [[ "$dir" != *"$VERSION_TAG/" ]]; then
            echo "Error: Version mismatch between folder $dir and version tag $VERSION_TAG"
            exit 1
          fi
          zip -r "${dir%/}.zip" "$dir"
        done

    - name: Release zipped database folders
      uses: softprops/action-gh-release@v2
      with:
        files: database/*.zip
        draft: true