Added release workflow

Author: madhavajay

.github/workflows/release.yml

@@ -0,0 +1,172 @@
+name: Release to PyPI and Docker
+
+on:
+  workflow_dispatch:
+    inputs:
+      bump:
+        description: 'Version bump type'
+        required: true
+        type: choice
+        options:
+          - patch
+          - minor
+          - major
+          - custom
+        default: 'patch'
+      custom_version:
+        description: 'Custom version (only if bump=custom, e.g., 0.2.0)'
+        required: false
+        type: string
+
+env:
+  REGISTRY: ghcr.io
+  IMAGE_NAME: ${{ github.repository }}
+
+jobs:
+  publish-pypi:
+    runs-on: ubuntu-latest
+    permissions:
+      contents: write
+    outputs:
+      version: ${{ steps.new.outputs.version }}
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v5
+
+      - name: Set up Python
+        run: uv python install 3.8
+
+      - name: Get current version
+        id: current
+        run: |
+          CURRENT=$(grep '^__version__ = ' python/src/bioscript/__init__.py | cut -d'"' -f2)
+          echo "version=${CURRENT}" >> $GITHUB_OUTPUT
+          echo "Current version: ${CURRENT}"
+
+      - name: Calculate new version
+        id: new
+        run: |
+          CURRENT="${{ steps.current.outputs.version }}"
+          IFS='.' read -r MAJOR MINOR PATCH <<< "$CURRENT"
+
+          case "${{ inputs.bump }}" in
+            major)
+              NEW_VERSION="$((MAJOR + 1)).0.0"
+              ;;
+            minor)
+              NEW_VERSION="${MAJOR}.$((MINOR + 1)).0"
+              ;;
+            patch)
+              NEW_VERSION="${MAJOR}.${MINOR}.$((PATCH + 1))"
+              ;;
+            custom)
+              NEW_VERSION="${{ inputs.custom_version }}"
+              ;;
+          esac
+
+          echo "version=${NEW_VERSION}" >> $GITHUB_OUTPUT
+          echo "New version: ${NEW_VERSION}"
+
+      - name: Update version in __init__.py
+        run: |
+          cd python
+          sed -i 's/__version__ = ".*"/__version__ = "${{ steps.new.outputs.version }}"/' src/bioscript/__init__.py
+          grep '__version__' src/bioscript/__init__.py
+
+      - name: Install dependencies
+        run: |
+          cd python
+          uv sync --all-extras
+
+      - name: Run tests
+        run: |
+          cd python
+          uv run pytest
+
+      - name: Build package
+        run: |
+          cd python
+          uv build
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          packages-dir: python/dist/
+          password: ${{ secrets.PYPI_API_TOKEN }}
+
+      - name: Commit version bump and tag
+        run: |
+          git config user.name "github-actions[bot]"
+          git config user.email "github-actions[bot]@users.noreply.github.com"
+          git add python/src/bioscript/__init__.py
+          git commit -m "Bump version to ${{ steps.new.outputs.version }}"
+          git tag "v${{ steps.new.outputs.version }}"
+          git push origin main --tags
+
+  build-docker:
+    needs: publish-pypi
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      packages: write
+      attestations: write
+      id-token: write
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v4
+        with:
+          ref: main  # Get the latest main with version bump
+
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Log in to GitHub Container Registry
+        uses: docker/login-action@v3
+        with:
+          registry: ${{ env.REGISTRY }}
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Extract version from __init__.py
+        id: version
+        run: |
+          VERSION="${{ needs.publish-pypi.outputs.version }}"
+          echo "version=${VERSION}" >> $GITHUB_OUTPUT
+          echo "Using version: ${VERSION}"
+
+      - name: Extract metadata for Docker
+        id: meta
+        uses: docker/metadata-action@v5
+        with:
+          images: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+          tags: |
+            type=semver,pattern={{version}},value=v${{ steps.version.outputs.version }}
+            type=semver,pattern={{major}}.{{minor}},value=v${{ steps.version.outputs.version }}
+            type=semver,pattern={{major}},value=v${{ steps.version.outputs.version }}
+            type=raw,value=${{ steps.version.outputs.version }}
+            type=raw,value=latest
+
+      - name: Build and push Docker image
+        id: build
+        uses: docker/build-push-action@v5
+        with:
+          context: .
+          file: ./docker/Dockerfile
+          push: true
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}
+          cache-from: type=gha
+          cache-to: type=gha,mode=max
+
+      - name: Generate artifact attestation
+        uses: actions/attest-build-provenance@v1
+        with:
+          subject-name: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+          subject-digest: ${{ steps.build.outputs.digest }}
+          push-to-registry: true