simplify CI and add ability for PRs without releasing

Author: jimboid

.github/workflows/build.yml .github/workflows/build.yaml.github/workflows/build.yml renamed to .github/workflows/build.yaml

@@ -1,14 +1,9 @@
-name: build
-
+name: ci/cd
 on:
+  pull_request:
   repository_dispatch:
     types: [build]
   workflow_dispatch:
-    inputs:
-      tag:
-        description: 'Base container version tag'
-        required: true
-        default: 'null'
 
 jobs:
   build:
@@ -19,7 +14,9 @@ jobs:
           - linux/amd64
           - linux/arm64
     runs-on: ${{ matrix.platform == 'linux/amd64' && 'ubuntu-24.04' || matrix.platform == 'linux/arm64' && 'ubuntu-24.04-arm' }}
-    name: ${{ matrix.platform }} workshop-build
+    name: build ${{ matrix.platform }}
+    outputs:
+      tag: ${{ steps.envvars.outputs.tag }}
     steps:
       - name: checkout
         uses: actions/checkout@v5.0.0
@@ -29,6 +26,11 @@ jobs:
         run: |
           platform=${{ matrix.platform }}
           echo "PLATFORM_PAIR=${platform//\//-}" >> $GITHUB_ENV
+          if [ ${{ github.event.client_payload.tag }} != 'null' ]; then
+            echo "tag=${{ github.event.client_payload.tag }}" >> $GITHUB_OUTPUT
+          else
+            echo "tag=$(date +'%Y-%m-%d')" >> $GITHUB_OUTPUT
+          fi
 
       - name: Metadata
         id: meta
@@ -73,6 +75,7 @@ jobs:
 
   merge:
     runs-on: ubuntu-24.04
+    name: merge into multiarch manifest
     needs:
       - build
     steps:
@@ -100,8 +103,7 @@ jobs:
         uses: docker/metadata-action@v5.8.0
         with:
           images: ghcr.io/${{ github.repository }}
-          tags: |
-            dev
+          tags: dev
 
       - name: Create manifest list and push
         id: annotate
@@ -125,27 +127,50 @@ jobs:
 
       - name: Inspect image
         run: |
-          docker buildx imagetools inspect ghcr.io/${{ github.repository }}:dev
+          docker buildx imagetools inspect ghcr.io/${{ github.repository }}:${{ needs.build.outputs.tag }}
 
-  test:
-    runs-on: ubuntu-24.04
-    name: orchestrate tests
+  tests:
+    strategy:
+      fail-fast: false
+      matrix:
+        platform:
+          - linux/amd64
+          - linux/arm64
+    runs-on: ${{ matrix.platform == 'linux/amd64' && 'ubuntu-latest' || matrix.platform == 'linux/arm64' && 'ubuntu-24.04-arm' }}
+    name: testing on ${{ matrix.platform }} 
+    timeout-minutes: 360
     needs: 
+      - build
       - merge
     steps:
-      - name: tag
-        id: version-tag
+
+      - name: Test notebooks
+        shell: bash
         run: |
-          if [ ${{ github.event.inputs.tag }} != 'null' ]; then
-            echo "tag=${{ github.event.inputs.tag }}" >> $GITHUB_OUTPUT
-          else
-            echo "tag=${{ github.event.client_payload.tag }}" >> $GITHUB_OUTPUT
-          fi
+          docker run -t ghcr.io/${{ github.repository }}:dev bash -c " \
+            pip install pytest nbmake; \
+            find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600; "
 
-      - name: Dispatch Tests
-        uses: peter-evans/repository-dispatch@v3.0.0
+  tags:
+    runs-on: ubuntu-24.04
+    if: github.event_name != 'pull_request'
+    name: add tags
+    needs:
+      - build
+      - tests
+    steps:
+      - name: Authenticate with GHCR
+        id: auth
+        uses: docker/login-action@v3.5.0
         with:
-          token: ${{ secrets.BUILD_TOKEN }}
-          repository: ${{ github.repository }}
-          event-type: test    
-          client-payload: '{"tag": "${{ steps.version-tag.outputs.tag }}"}'
+          registry: "ghcr.io"
+          username: ${{github.actor}}
+          password: ${{secrets.BUILD_TOKEN}}
+
+      - name: tag release versions
+        shell: bash
+        run: |
+          docker buildx imagetools create \
+            --tag ghcr.io/${{ github.repository }}:latest \
+            --tag ghcr.io/${{ github.repository }}:${{ needs.build.outputs.tag }} \
+            ghcr.io/${{ github.repository }}:dev

.github/workflows/test.yaml

@@ -1,11 +1,7 @@
 CCPBioSim Structure Validation Workshop
 =======================================
 
-[![build](https://github.com/jimboid/biosim-structure-validation-workshop/actions/workflows/build.yml/badge.svg?branch=main)](https://github.com/jimboid/biosim-structure-validation-workshop/actions/workflows/build.yml)
-[![tests](https://github.com/jimboid/biosim-structure-validation-workshop/actions/workflows/test.yaml/badge.svg?branch=main)](https://github.com/jimboid/biosim-structure-validation-workshop/actions/workflows/test.yaml)
-[![latest](https://img.shields.io/badge/dynamic/xml?url=https%3A%2F%2Fgithub.com%2Fjimboid%2Fbackage%2Fraw%2Findex%2Fjimboid%2Fbiosim-structure-validation-workshop%2Fbiosim-structure-validation-workshop.xml&query=xml%2Fversion%5B.%2Fnewest%5B.%3D%22true%22%5D%5D%2Ftags%5B.!%3D%22latest%22%5D%5B.!%3D%22dev%22%5D&logo=github&label=latest&color=purple)](https://github.com/jimboid/biosim-structure-validation-workshop)
-[![size](https://img.shields.io/badge/dynamic/xml?url=https%3A%2F%2Fgithub.com%2Fjimboid%2Fbackage%2Fraw%2Findex%2Fjimboid%2Fbiosim-structure-validation-workshop%2Fbiosim-structure-validation-workshop.xml&query=xml%2Fsize&logo=github&label=size&color=orange)](https://github.com/jimboid/biosim-structure-validation-workshop)
-[![pulls](https://img.shields.io/badge/dynamic/xml?url=https%3A%2F%2Fgithub.com%2Fjimboid%2Fbackage%2Fraw%2Findex%2Fjimboid%2Fbiosim-structure-validation-workshop%2Fbiosim-structure-validation-workshop.xml&query=xml%2Fdownloads&logo=github&label=pulls&color=blue)](https://github.com/jimboid/biosim-structure-validation-workshop)
+[![build](https://github.com/jimboid/biosim-structure-validation-workshop/actions/workflows/build.yaml/badge.svg?branch=main)](https://github.com/jimboid/biosim-structure-validation-workshop/actions/workflows/build.yaml)
 
 This container is derived from the CCPBioSim JupyterHub image. This container
 adds the necessary software packages and notebook content to form a deployable