Add back integration tests

.github/workflows/docker-build-test-upload.yml

@@ -12,6 +12,8 @@ on:
 
 env:
     FORCE_COLOR: 1
+    IMAGE: ghcr.io/aiidalab/qe
+    BUILDKIT_PROGRESS: plain
 
 # https://docs.github.com/en/actions/using-jobs/using-concurrency
 concurrency:
@@ -45,14 +47,14 @@ jobs:
               uses: docker/metadata-action@v4
               with:
                   images: |
-                      name=ghcr.io/aiidalab/qe
+                      name=${{ env.IMAGE }}
                   tags: |
                       type=edge,enable={{is_default_branch}}
                       type=ref,event=pr
                       type=match,pattern=v(\d{2}\.\d{2}.\d+.*),group=1
                       type=raw,value={{tag}},enable=${{ startsWith(github.ref, 'refs/tags/v') }}
 
-            - name: Build and load to Docker
+            - name: Build and push image
               id: build-upload
               uses: docker/build-push-action@v5
               with:
@@ -73,3 +75,19 @@ jobs:
 
             - name: Install Dev Dependencies 📦
               run: pip install -r requirements-docker.txt
+
+            - name: Set jupyter token env
+              run: echo "JUPYTER_TOKEN=$(openssl rand -hex 32)" >> $GITHUB_ENV
+
+            - name: Run pytest for Chrome
+              run: pytest --driver Chrome tests_integration/
+              env:
+                  QE_IMAGE: ${{ env.IMAGE }}@${{ steps.build-upload.outputs.digest }}
+
+            - name: Upload screenshots as artifacts
+              if: always()
+              uses: actions/upload-artifact@v4
+              with:
+                  name: Screenshots
+                  path: screenshots/
+                  if-no-files-found: error

Dockerfile

@@ -1,18 +1,18 @@
 # syntax=docker/dockerfile:1
-FROM ghcr.io/astral-sh/uv:0.2.18 as uv
+FROM ghcr.io/astral-sh/uv:0.2.18 AS uv
 FROM ghcr.io/aiidalab/full-stack:2024.1019
 
 # Copy whole repo and pre-install the dependencies and app to the tmp folder.
 # In the before notebook scripts the app will be re-installed by moving it to the app folder.
-ENV PREINSTALL_APP_FOLDER ${CONDA_DIR}/aiidalab-qe
+ENV PREINSTALL_APP_FOLDER=${CONDA_DIR}/aiidalab-qe
 COPY --chown=${NB_UID}:${NB_GID} . ${PREINSTALL_APP_FOLDER}
 
 USER ${NB_USER}
 
 # Using uv to speed up installation, per docs:
 # https://github.com/astral-sh/uv/blob/main/docs/guides/docker.md#using-uv-temporarily
 # Use the same constraint file as PIP
-ENV UV_CONSTRAINT ${PIP_CONSTRAINT}
+ENV UV_CONSTRAINT=${PIP_CONSTRAINT}
 RUN  --mount=from=uv,source=/uv,target=/bin/uv \
      cd ${PREINSTALL_APP_FOLDER} && \
      # Remove all untracked files and directories. For example the setup lock flag file.
@@ -39,7 +39,7 @@ RUN mamba create -p /opt/conda/envs/quantum-espresso --yes \
      fix-permissions "/home/${NB_USER}"
 
 # Download the QE pseudopotentials to the folder for afterware installation.
-ENV PSEUDO_FOLDER ${CONDA_DIR}/pseudo
+ENV PSEUDO_FOLDER=${CONDA_DIR}/pseudo
 RUN mkdir -p ${PSEUDO_FOLDER} && \
     python -m aiidalab_qe download-pseudos --dest ${PSEUDO_FOLDER}
 

README.md

@@ -32,15 +32,14 @@ pytest -sv tests
 To run the integration tests, you need to build the Docker image first:
 
 ```
-cd docker/
-docker buildx bake -f build.json -f docker-bake.hcl --set "*.platform=linux/amd64" --load
+docker build . -t aiidalab/qe
 ```
 
 Then, you can run the integration tests with:
 
 ```bash
-JUPYTER_TOKEN=max TAG=newly-baked pytest --driver Chrome tests_integration -sv
-``````
+pytest --driver Chrome tests_integration
+```
 
 ## For maintainers
 
@@ -57,7 +56,7 @@ Additional notes:
   - Use the `--dry` option to preview the release change.
   - The release tag (e.g. a/b/rc) is determined from the last release.
     Use the `--tag` option to switch the release tag.
-  - For making "outdate" release since we fix minor version to `2x.04.xx` and `2x.10.xx`, use e.g. `bumpver update --set-version v23.10.0rc4 --ignore-vcs-tag` to make the release.
+  - For making "outdated" release since we fix minor version to `2x.04.xx` and `2x.10.xx`, use e.g. `bumpver update --set-version v23.10.0rc4 --ignore-vcs-tag` to make the release.
 
 ## Acknowledgements
 We acknowledge support from:

requirements-docker.txt

@@ -1,11 +1,6 @@
 docker
 requests
-pre-commit
-pytest
-pytest-docker
-
-# test dependencies
-pytest-selenium
-pytest-html<4.0
-selenium~=4.9.0
-webdriver-manager
+pytest~=8.2.0
+pytest-docker~=3.0
+pytest-selenium~=4.1
+selenium==4.20.0

tests_integration/conftest.py

@@ -4,7 +4,7 @@
 
 import pytest
 import requests
-import selenium.webdriver.support.expected_conditions as EC
+import selenium.webdriver.support.expected_conditions as ec
 from requests.exceptions import ConnectionError
 from selenium.webdriver.common.by import By
 from selenium.webdriver.support.wait import WebDriverWait
@@ -85,7 +85,7 @@ def _selenium_driver(nb_path, wait_time=5.0):
         selenium.find_element(By.ID, "ipython-main-app")
         selenium.find_element(By.ID, "notebook-container")
         WebDriverWait(selenium, 100).until(
-            EC.invisibility_of_element((By.ID, "appmode-busy"))
+            ec.invisibility_of_element((By.ID, "appmode-busy"))
         )
 
         return selenium
@@ -116,12 +116,6 @@ def screenshot_dir():
     return sdir
 
 
-@pytest.fixture
-def firefox_options(firefox_options):
-    firefox_options.add_argument("--headless")
-    return firefox_options
-
-
 @pytest.fixture
 def chrome_options(chrome_options):
     chrome_options.add_argument("--headless")

tests_integration/docker-compose.yml

@@ -4,7 +4,7 @@ version: '3.4'
 services:
 
     aiidalab:
-        image: ${REGISTRY:-}${QE_IMAGE:-aiidalab/qe}:${TAG:-newly-baked}
+        image: ${REGISTRY:-}${QE_IMAGE:-aiidalab/qe}${TAG}
         environment:
             TZ: Europe/Zurich
             DOCKER_STACKS_JUPYTER_CMD: notebook