release.yml

name: Release

on:
  workflow_dispatch:
    inputs:
      version:
        required: true
        default: 'x.y.z'

permissions:
  contents: write
  pull-requests: write

jobs:

  release:
    name: make github release
    runs-on: ubuntu-24.04
    steps:

      - name: create release
        uses: softprops/action-gh-release@v3
        with:
          name: v${{ github.event.inputs.version }}
          generate_release_notes: true
          tag_name: ${{ github.event.inputs.version }}
          
  conda:
    name: publish conda to anaconda.org
    needs: release
    runs-on: ubuntu-24.04

    steps:
      - name: Checkout
        uses: actions/checkout@v4
        with:
          ref: main
          
      - name: Update modeller key
        shell: bash -l {0}
        run: |
          sed -i -e 's/SECRET-MODELLER-LICENSE-KEY/${{ secrets.MODELLER_KEY }}/g' $GITHUB_WORKSPACE/conda-recipe/meta.yml
          sed -i -e 's/SECRET-MODELLER-LICENSE-KEY/${{ secrets.MODELLER_KEY }}/g' $GITHUB_WORKSPACE/conda-recipe/build.sh
  
      - name: Setup Conda (conda-forge only)
        uses: conda-incubator/setup-miniconda@v3
        with:
          miniforge-variant: Miniforge3
          python-version: "3.13.2"
          auto-activate: false
          conda-remove-defaults: true
          channels: conda-forge,salilab
          channel-priority: strict

      - name: Install build tools
        shell: bash -l {0}
        run: |
          conda install -y conda-build anaconda-client
          conda config --set anaconda_upload no

      - name: Build package
        shell: bash -l {0}
        env:
          PIP_NO_INDEX: "0"
        run: |
          PKG_PATH=$(conda build conda-recipe --output)
          echo "PKG_PATH=$PKG_PATH" >> "$GITHUB_ENV"
          conda build conda-recipe
          test -f "$PKG_PATH"
          echo "Built: $PKG_PATH"

      - name: Upload to Anaconda
        shell: bash -l {0}
        env:
          ANACONDA_API_TOKEN: ${{ secrets.ANACONDA_TOKEN }}
        run: |
          anaconda -t "$ANACONDA_API_TOKEN" upload "$PKG_PATH" --user CCPBioSim --force