move docker upload to release.yml

.github/workflows/release.yml

@@ -36,7 +36,7 @@ jobs:
           path: dist/*
 
   upload_test_pypi:
-    needs: [build]
+    needs: build
     runs-on: ubuntu-latest
     if: github.event_name == 'workflow_dispatch'
     steps:
@@ -51,7 +51,7 @@ jobs:
           repository_url: https://test.pypi.org/legacy/
 
   upload_pypi:
-    needs: [build]
+    needs: build
     runs-on: ubuntu-latest
     if: github.event_name == 'release' && github.event.action == 'published'
     steps:
@@ -63,3 +63,39 @@ jobs:
         with:
           user: __token__
           password: ${{ secrets.PYPI_TOKEN_DEEPRANK2 }}
+
+  read_version:
+    needs: upload_pypi
+    name: Read version from TOML
+    runs-on: ubuntu-latest
+    outputs:
+      version: ${{ steps.get_version.outputs.VERSION }}
+      repo_lowercase: ${{ steps.repo_lowercase.outputs.REPO_LOWERCASE }}
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v4
+
+      - name: Read version from TOML
+        id: get_version
+        run: |
+          VERSION=$(grep '^version =' pyproject.toml | awk -F '"' '{print $2}')
+          echo "VERSION=$VERSION" >> $GITHUB_OUTPUT
+
+      - name: Convert repository name to lowercase
+        id: repo_lowercase
+        run: |
+          REPO_LOWERCASE=$(echo "${{ github.repository }}" | tr '[:upper:]' '[:lower:]')
+          echo "REPO_LOWERCASE=$REPO_LOWERCASE" >> $GITHUB_OUTPUT
+
+  upload_docker_image:
+    needs: read_version
+    name: Upload Docker image to ghcr.io
+    uses: ./.github/workflows/_ghcr.yml
+    with:
+      ghcr_user: ${{github.actor}}
+      base_image_name: ghcr.io/${{ needs.read_version.outputs.repo_lowercase }}
+      image_tag: ${{ needs.read_version.outputs.version }}
+      dockerfile: ./Dockerfile
+      docker_context: .
+    secrets:
+      token: ${{secrets.GITHUB_TOKEN}}

pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "deeprank2"
-version = "3.0.6"
+version = "3.0.5"
 description = "DeepRank2 is an open-source deep learning framework for data mining of protein-protein interfaces or single-residue missense variants."
 readme = "README.md"
 requires-python = ">=3.10"