update python deployment github action

.github/workflows/build_wheels.yaml

@@ -1,26 +1,169 @@
-name: Build and Publish
+# Triggered by repository_dispatch from green-mbpt when a new tag is created.
+# Updates version.py, updates HDF5 file version attributes, commits changes,
+# creates a matching tag, and deploys the package to PyPI.
+
+# NOTE: A direct / manual push for release is not allowed. Release can only be triggered
+# via repository_dispatch from green-mbpt. This is to ensure that the version update and
+# deployment steps are always executed when a new tag is created.
+
+name: Update Version and Deploy
 
 on:
-  push:
-    branches:
-      - main
-    tags:
-      - 'v*'
-  pull_request:
+  repository_dispatch:
+    types: [version-update]
   workflow_dispatch:
+    inputs:
+      tag:
+        description: 'Tag to create (e.g. v0.3.3-test). Always a dry run — no commits, tags, or PyPI uploads.'
+        required: true
 
+# Canceling in-progress runs is disabled to ensure that the deployment step is not
+# accidentally canceled if multiple tags are created in quick succession.
+# The concurrency group is still defined to prevent multiple runs for the same tag,
+# but it won't cancel an already running deployment if a new tag is pushed while
+# it's still running.
 concurrency:
-  group: ${{ github.workflow }}-${{ github.ref }}
-  cancel-in-progress: true
+  group: ${{ github.workflow }}-${{ github.event.client_payload.tag || github.event.inputs.tag }}
+  cancel-in-progress: false  # safer for PyPI deployments
 
 jobs:
-  build_sdist:
+  update-and-deploy:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Generate token
+        id: generate-token
+        uses: actions/create-github-app-token@v1
+        with:
+          app-id: ${{ secrets.GREEN_TAG_APP_ID }}
+          private-key: ${{ secrets.GREEN_TAG_APP_PRIVATE_KEY }}
+          owner: Green-Phys
+
+      - name: Checkout green-grids
+        uses: actions/checkout@v4
+        with:
+          token: ${{ steps.generate-token.outputs.token }}
+
+      - name: Validate tag name
+        env:
+          TAG_NAME: ${{ github.event.client_payload.tag || github.event.inputs.tag }}
+        run: |
+          if [ -z "$TAG_NAME" ]; then
+            echo "Error: TAG_NAME is empty"
+            exit 1
+          fi
+          if ! echo "$TAG_NAME" | grep -qE '^v[0-9]+\.[0-9]+\.[0-9]+(-[a-zA-Z0-9._-]+)?$'; then
+            echo "Error: TAG_NAME '$TAG_NAME' does not match expected format vX.Y.Z or vX.Y.Z-suffix"
+            exit 1
+          fi
+          echo "TAG_NAME '$TAG_NAME' is valid"
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: '3.x'
+
+      - name: Install h5py
+        run: python3 -m pip install h5py
+
+      - name: Update version.py
+        env:
+          TAG_NAME: ${{ github.event.client_payload.tag || github.event.inputs.tag }}
+        run: |
+          VERSION=${TAG_NAME#v}
+          sed -i "s/__version__ = '.*'/__version__ = '$VERSION'/" \
+            python/green_grids/version.py
+
+      - name: Update data.h5 version attributes
+        env:
+          TAG_NAME: ${{ github.event.client_payload.tag || github.event.inputs.tag }}
+        run: |
+          VERSION=${TAG_NAME#v}
+          GRIDS_VERSION="$VERSION" python3 - <<EOF
+          import h5py
+          import glob
+          import os
+
+          version = os.environ["GRIDS_VERSION"]
+          files = glob.glob("data/ir/*.h5") + \
+                  glob.glob("data/cheb/*.h5")
+
+          for f in files:
+              print(f"Updating {f}")
+              with h5py.File(f, 'a') as h5f:
+                  if '__grids_version__' in h5f.attrs:
+                      del h5f.attrs['__grids_version__']
+                  h5f.attrs['__grids_version__'] = version
+          EOF
+
+      - name: Commit and push
+        env:
+          TAG_NAME: ${{ github.event.client_payload.tag || github.event.inputs.tag }}
+          DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
+          DRY_RUN: ${{ github.event_name == 'workflow_dispatch' }}
+        run: |
+          git config user.name "github-actions[bot]"
+          git config user.email "github-actions[bot]@users.noreply.github.com"
+          git add python/green_grids/version.py data/ir/*.h5 data/cheb/*.h5
+          if git diff --staged --quiet; then
+            echo "No changes to commit, version already up to date"
+          else
+            git commit -m "Release $TAG_NAME"
+            if [ "$DRY_RUN" = "true" ]; then
+              echo "Dry run: skipping push to ${DEFAULT_BRANCH}"
+              git diff HEAD~1
+            else
+              git push origin "HEAD:${DEFAULT_BRANCH}"
+            fi
+          fi
+
+      - name: Create and push tag
+        env:
+          TAG_NAME: ${{ github.event.client_payload.tag || github.event.inputs.tag }}
+          DRY_RUN: ${{ github.event_name == 'workflow_dispatch' }}
+        run: |
+          if git ls-remote --tags origin | grep -F -q "refs/tags/$TAG_NAME"; then
+            echo "Tag $TAG_NAME already exists on remote, skipping"
+          elif [ "$DRY_RUN" = "true" ]; then
+            echo "Dry run: skipping tag creation for $TAG_NAME"
+          else
+            git tag "$TAG_NAME"
+            git push origin "$TAG_NAME"
+          fi
+
+  build_distributions:
+    needs: [update-and-deploy]
+    if: github.event_name == 'repository_dispatch'
     name: Build source distribution
     runs-on: ubuntu-latest
     steps:
+      - name: Generate token
+        id: generate-token
+        uses: actions/create-github-app-token@v1
+        with:
+          app-id: ${{ secrets.GREEN_TAG_APP_ID }}
+          private-key: ${{ secrets.GREEN_TAG_APP_PRIVATE_KEY }}
+          owner: Green-Phys
+
+      - name: Wait for tag to propagate
+        env:
+          TAG_NAME: ${{ github.event.client_payload.tag }}
+        run: |
+          for i in {1..5}; do
+            if git ls-remote --tags https://github.com/${{ github.repository }} | grep -F -q "refs/tags/$TAG_NAME"; then
+              echo "Tag $TAG_NAME found, proceeding"
+              exit 0
+            fi
+            echo "Attempt $i: tag not yet visible, waiting 10 seconds..."
+            sleep 10
+          done
+          echo "Tag $TAG_NAME not found after 5 attempts, failing"
+          exit 1
+
       - uses: actions/checkout@v4
         with:
+          ref: ${{ github.event.client_payload.tag }}
           fetch-depth: 0
+          token: ${{ steps.generate-token.outputs.token }}
 
       - uses: actions/setup-python@v5
         with:
@@ -31,22 +174,22 @@ jobs:
 
       - uses: actions/upload-artifact@v4
         with:
-          name: sdist
+          name: distributions
           path: dist/*
           if-no-files-found: error
 
   upload_pypi:
-    needs: [build_sdist]
+    needs: [build_distributions]
     runs-on: ubuntu-latest
     environment: release
     permissions:
       id-token: write
       contents: read
-    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v') || github.event_name == 'release'
+    if: github.event_name == 'repository_dispatch'
     steps:
       - uses: actions/download-artifact@v4
         with:
-          pattern: sdist
+          pattern: distributions
           path: dist
           merge-multiple: true