Refactor CI (#33)

.github/workflows/ci.yml → .github/workflows/docker.yml

@@ -3,7 +3,7 @@
 # Publishes Docker images to Github Container Repository (ghcr.io),
 # and runs the automated tests with pytest.
 
-name: CI
+name: Docker
 
 on:
     push:
@@ -21,7 +21,7 @@ jobs:
 
     build:
 
-        runs-on: ubuntu-latest
+        runs-on: ubuntu-22.04
         timeout-minutes: 20
         permissions:
             packages: write
@@ -37,48 +37,47 @@ jobs:
                   username: ${{ github.actor }}
                   password: ${{ secrets.GITHUB_TOKEN }}
 
-            - name: Docker meta
-              id: meta
-              uses: docker/metadata-action@v5
-              with:
-                  images: ${{ env.REGISTRY }}${{ env.ISPG_IMAGE }}
-                  # Before tests pass, we tag the image by the branch name
-                  # or by pull request number, e.g. pr-11
-                  # https://github.com/docker/metadata-action#tags-input
-                  # See the release workflow for the release tags.
-                  tags: |
-                      type=sha
-                      type=ref,event=pr
+            - name: Set up Docker Buildx
+              uses: docker/setup-buildx-action@v3
 
             - name: Build image
               id: build
               uses: docker/build-push-action@v5
               with:
-                  tags: ${{ steps.meta.outputs.tags }}
-                  push: true
+                  tags: ${{ env.REGISTRY }}${{ env.ISPG_IMAGE }}
+                  cache-from: type=gha
+                  cache-to: type=gha,mode=max
+                  outputs: |
+                      type=registry,push-by-digest=true,name-canonical=true
 
     test:
         needs: build
-        runs-on: ubuntu-latest
-        timeout-minutes: 10
+        runs-on: ubuntu-22.04
+        timeout-minutes: 20
         permissions:
             packages: read
             contents: read
 
         steps:
             - uses: actions/checkout@v4
+
             - name: Login to GitHub Container Registry
               uses: docker/login-action@v3
               with:
                   registry: ghcr.io
                   username: ${{ github.actor }}
                   password: ${{ secrets.GITHUB_TOKEN }}
 
-            - name: Setup Python test environment
-              uses: mamba-org/setup-micromamba@v1
+            - name: Set up Python
+              uses: actions/setup-python@v5
               with:
-                  environment-file: environment.yml
-                  cache-environment: true
+                  python-version: '3.12'
+
+            - name: Install uv
+              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.1.43/uv-installer.sh | sh
+
+            - name: Install test requirements
+              run: uv pip install --system -r requirements.txt --no-deps
 
             - name: Run tests
               shell: bash -l {0}  # required to activate the conda environment
@@ -87,22 +86,16 @@ jobs:
                   # Image that was build in the build workflow
                   ISPG_IMAGE: ${{ env.ISPG_IMAGE }}@${{ needs.build.outputs.image_digest }}
 
-    release:
-        if: >-
-            github.repository_owner == 'ispg-group'
-            && (github.ref_type == 'tag' || github.ref_name == 'main')
-        needs:
-            - build
-            - test
+    release-ghcr:
+        needs: [build, test]
+        runs-on: ubuntu-22.04
         permissions:
             packages: write
             contents: write
-        runs-on: ubuntu-latest
-        timeout-minutes: 10
-
         steps:
             - uses: actions/checkout@v4
-            - name: Login to GitHub Container Registry
+
+            - name: Login to GitHub Container Registry 🔑
               uses: docker/login-action@v3
               with:
                   registry: ghcr.io
@@ -115,11 +108,11 @@ jobs:
               with:
                   images: ${{ env.REGISTRY }}${{ env.ISPG_IMAGE }}
                   tags: |
-                      type=edge
-                      type=raw,value={{tag}},enable=${{ github.ref_type == 'tag' && ! startsWith(github.ref_name, 'v') }}
+                      type=ref,event=pr
+                      type=edge,enable={{is_default_branch}}
                       type=match,pattern=v(\d{4}\.\d{2}.\d+(-.+)?),group=1
 
-            - name: Release image
+            - name: Push image
               uses: akhilerm/[email protected]
               with:
                   src: ${{ env.REGISTRY }}${{ env.ISPG_IMAGE }}@${{ needs.build.outputs.image_digest }}

Dockerfile

@@ -1,4 +1,4 @@
-FROM aiidalab/full-stack:latest
+FROM aiidalab/full-stack:aiida-2.4.3
 LABEL maintainer="Daniel Hollas <[email protected]>"
 
 USER root

requirements.in

@@ -0,0 +1,3 @@
+pytest~=7.4
+pytest-docker
+requests

requirements.txt

@@ -0,0 +1,26 @@
+# This file was autogenerated by uv via the following command:
+#    uv pip compile requirements.in
+attrs==23.2.0
+    # via pytest-docker
+certifi==2024.2.2
+    # via requests
+charset-normalizer==3.3.2
+    # via requests
+idna==3.7
+    # via requests
+iniconfig==2.0.0
+    # via pytest
+packaging==24.0
+    # via pytest
+pluggy==1.5.0
+    # via pytest
+pytest==7.4.4
+    # via
+    #   -r requirements.in
+    #   pytest-docker
+pytest-docker==3.1.1
+    # via -r requirements.in
+requests==2.31.0
+    # via -r requirements.in
+urllib3==2.2.1
+    # via requests