CI fixes and improvements

.github/workflows/ci.yml

@@ -1,5 +1,5 @@
 ---
-# Run basic tests for this app on the latest aiidalab-docker image.
+# Run basic tests for this app
 
 name: continuous-integration
 
@@ -13,16 +13,21 @@ jobs:
         runs-on: ubuntu-latest
 
         steps:
-            - uses: actions/checkout@v2
+            - uses: actions/checkout@v3
 
             - name: Setup Python
-              uses: actions/setup-python@v2
+              uses: actions/setup-python@v4
               with:
-                  python-version: 3.8
+                  python-version: '3.10'
+                  cache: pip
+                  cache-dependency-path: |
+                      .pre-commit-config.yaml
+                      **/setup.cfg
+                      **/pyproject.toml
+                      **/requirements*.txt
 
             - name: Install dependencies
-              run: |
-                  python -m pip install pre-commit==2.11.1
+              run: python -m pip install pre-commit~=2.20
 
             - name: Run pre-commit
               run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )

.github/workflows/di.yml

@@ -17,32 +17,27 @@ jobs:
             matrix:
                 tag: [latest]
                 browser: [Chrome, Firefox]
-                python-version: ['3.8', '3.10']
-                firefox: ['96.0']
             fail-fast: false
 
         runs-on: ubuntu-latest
         timeout-minutes: 60
 
         steps:
             - name: Check out app
-              uses: actions/checkout@v2
+              uses: actions/checkout@v3
 
-            - name: Cache Python dependencies
-              uses: actions/cache@v1
+            - name: Set up Python
+              uses: actions/setup-python@v4
               with:
-                  path: ~/.cache/pip
-                  key: pip-${{ matrix.python-version }}-tests-${{ hashFiles('**/setup.json') }}
-                  restore-keys: pip-${{ matrix.python-version }}-tests
-
-            - name: Set up Python ${{ matrix.python-version }}
-              uses: actions/setup-python@v2
-              with:
-                  python-version: ${{ matrix.python-version }}
+                  python-version: '3.10'
+                  cache: pip
+                  cache-dependency-path: |
+                      **/setup.cfg
+                      **/pyproject.toml
+                      **/requirements*.txt
 
             - name: Install dependencies for test
-              run: |
-                  pip install -U -r requirements_test.txt
+              run: pip install -U -r requirements_test.txt
 
             - name: Set jupyter token env
               run: echo "JUPYTER_TOKEN=$(openssl rand -hex 32)" >> $GITHUB_ENV
@@ -52,7 +47,7 @@ jobs:
             - name: Install Firefox
               uses: browser-actions/setup-firefox@latest
               with:
-                  firefox-version: ${{ matrix.firefox }}
+                  firefox-version: latest
               if: matrix.browser == 'Firefox'
 
             - name: Install geckodriver
@@ -65,3 +60,11 @@ jobs:
               run: pytest --driver ${{ matrix.browser }}
               env:
                   TAG: ${{ matrix.tag }}
+
+            - name: Upload screenshots as artifacts
+              if: always()
+              uses: actions/upload-artifact@v3
+              with:
+                  name: Screenshots-${{ matrix.tag }}-${{ matrix.browser }}
+                  path: ~/screenshots/
+                  if-no-files-found: error

.pre-commit-config.yaml

@@ -2,7 +2,7 @@
 repos:
 
     - repo: https://github.com/pre-commit/pre-commit-hooks
-      rev: v4.3.0
+      rev: v4.4.0
       hooks:
           - id: check-json
           - id: check-yaml
@@ -22,7 +22,7 @@ repos:
             language_version: python3 # Should be a command that runs python3.6+
 
     - repo: https://github.com/PyCQA/flake8
-      rev: 5.0.4
+      rev: 6.0.0
       hooks:
           - id: flake8
             args: [--count, --show-source, --statistics]
@@ -35,17 +35,12 @@ repos:
           - id: isort
             args: [--profile, black, --filter-files]
 
-    - repo: https://github.com/asottile/setup-cfg-fmt
-      rev: v2.2.0
-      hooks:
-          - id: setup-cfg-fmt
-
     - repo: https://github.com/sirosen/check-jsonschema
       rev: 0.19.2
       hooks:
           - id: check-github-workflows
 
     - repo: https://github.com/kynan/nbstripout
-      rev: 0.5.0
+      rev: 0.6.1
       hooks:
           - id: nbstripout

requirements_test.txt

@@ -1,5 +1,5 @@
-pytest~=6.0
+pytest~=6.2
 pytest-docker~=1.0
 pytest-selenium~=4.0
 webdriver-manager~=3.8
-selenium==4.1.0
+selenium~=4.7.0

setup.cfg

@@ -37,8 +37,7 @@ python_requires = >=3.8
 dev =
     bumpver==2022.1119
     pre-commit==2.11.1
-test =
-    requirements-test.txt
+test = file: requirements_test.txt
 
 [options.package_data]
 aiidalab_qe.parameters = qeapp.yaml
@@ -51,9 +50,9 @@ categories =
 
 [flake8]
 ignore =
-    E501  # Line length handled by black.
-    W503  # Line break before binary operator, preferred formatting for black.
-    E203  # Whitespace before ':', preferred formatting for black.
+    E501
+    W503
+    E203
 
 [bumpver]
 current_version = "v22.12.0"

tests/conftest.py

@@ -1,4 +1,5 @@
 import os
+from pathlib import Path
 from urllib.parse import urljoin
 
 import pytest
@@ -62,6 +63,13 @@ def _selenium_driver(nb_path, wait_time=5.0):
     return _selenium_driver
 
 
+@pytest.fixture(scope="session")
+def screenshot_dir():
+    sdir = Path.joinpath(Path.home(), "screenshots")
+    os.mkdir(sdir)
+    return sdir
+
+
 @pytest.fixture
 def firefox_options(firefox_options):
     firefox_options.add_argument("--headless")

tests/test_qe_app.py

@@ -1,3 +1,6 @@
+import time
+from pathlib import Path
+
 import requests
 from selenium.webdriver.common.by import By
 
@@ -8,21 +11,27 @@ def test_notebook_service_available(notebook_service):
     assert response.status_code == 200
 
 
-def test_qe_app_take_screenshot(selenium_driver):
+def test_qe_app_take_screenshot(selenium_driver, screenshot_dir):
     driver = selenium_driver("qe.ipynb", wait_time=30.0)
     driver.set_window_size(1920, 985)
-    driver.get_screenshot_as_file("screenshots/qe-app.png")
+    driver.get_screenshot_as_file(str(Path.joinpath(screenshot_dir, "qe-app.png")))
 
 
-def test_qe_app_select_silicon(selenium_driver):
+def test_qe_app_select_silicon(selenium_driver, screenshot_dir):
     driver = selenium_driver("qe.ipynb", wait_time=30.0)
     driver.set_window_size(1920, 985)
     driver.find_element(
         By.XPATH, "//*[text()='From Examples']"
     ).click()  # click `From Examples` tab for input structure
     driver.find_element(By.XPATH, "//option[@value='Diamond']").click()
-    driver.get_screenshot_as_file("screenshots/qe-app-select-diamond-selected.png")
+    time.sleep(2)
+    driver.get_screenshot_as_file(
+        str(Path.joinpath(screenshot_dir, "qe-app-select-diamond-selected.png"))
+    )
     confirm_button = driver.find_element(By.XPATH, "//button[text()='Confirm']")
     confirm_button.location_once_scrolled_into_view  # scroll into view
     confirm_button.click()
-    driver.get_screenshot_as_file("screenshots/qe-app-select-diamond-confirmed.png")
+    time.sleep(2)
+    driver.get_screenshot_as_file(
+        str(Path.joinpath(screenshot_dir, "qe-app-select-diamond-confirmed.png"))
+    )