UpdateIDs.yml

# Generate an unique ID for each simulation in the NMRlipids databank
#
# This workflow generates a pull request with the modification of the
# README files of conflictive systems.
#
# Contact:
#  Fabián Suárez-Lestón
#  fabian.suarez.leston@usc.es

name: UpdateIDs

# Controls when the workflow will run
on:
  # Triggers the workflow on closed pull request events, but only for the "main" branch 
  pull_request_target:
    types: 
      - closed
    branches: [ "main" ]
    paths: ['Simulations/**']
    
  # Allows you to run this workflow manually from the Actions tab
  workflow_dispatch:

# A workflow run is made up of one or more jobs that can run sequentially or in parallel
jobs:
  # This workflow contains a single job called "UpdateIDs"
  UpdateIDs:
    # This job will run if either: workflow_dispatch OR:   
    # Pull request is merged AND
    # The repository is NMRLipids/BilayerData AND
    # The pull request is not labeled with "UpdateID" 
    if: ${{ 
       (github.event_name == 'workflow_dispatch' ||
      
       (github.event.pull_request.merged == true &&
        github.repository == 'NMRLipids/BilayerData' &&
        ! contains(github.event.pull_request.labels.*.name, 'UpdateID')
      )) 
        }}
    # The type of runner that the job will run on
    runs-on: ubuntu-latest

    # Steps represent a sequence of tasks that will be executed as part of the job
    steps:
      # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it
      - uses: actions/checkout@v6

      - name: Assign new IDs
        id: newids
        run: |
          . .github/workflows/CheckIDs.sh generate

      - name: Create Pull Request
        id: cpr
        uses: peter-evans/create-pull-request@v8
        # Trigger the step only if there have been changes made to the IDs
        if: steps.newids.outputs.newids == 'true'
        with:
          token: ${{ secrets.GITHUB_TOKEN }}
          commit-message: Update simulation IDs
          committer: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
          author: ${{ github.actor }} <${{ github.actor_id }}+${{ github.actor }}@users.noreply.github.com>
          signoff: false
          branch: workflow_addID_PR${{github.event.number}}
          branch-suffix: short-commit-hash
          title: Update IDs after pull request ${{github.event.number}}
          body: |
            Generated new IDs for duplicates or new systems in #${{ github.event.number}}.
            Auto-generated by [create-pull-request][1]

            [1]: https://github.com/peter-evans/create-pull-request
          labels: |
            UpdateID
            AutoPR
          draft: false