CI: Run test_examples.py only on releases

.github/ISSUE_TEMPLATE/release_checklist.md

@@ -6,6 +6,10 @@ labels: "release"
 assignees: ""
 ---
 
+### Run diffpy.cmi example scripts
+
+- [ ] Manually trigger the `validate-examples.yml` workflow to run all example scripts.
+
 ### PyPI/GitHub rc-release preparation checklist:
 
 - [ ] All PRs/issues attached to the release are merged.

.github/workflows/validate-examples.yml

@@ -0,0 +1,52 @@
+name: Validate Examples
+
+on:
+  workflow_dispatch:
+
+jobs:
+  validate-examples:
+    defaults:
+      run:
+        shell: bash -l {0}
+
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v4
+
+      - name: Initialize miniconda
+        uses: conda-incubator/setup-miniconda@v3
+        with:
+          activate-environment: test
+          channels: conda-forge
+          auto-update-conda: true
+          auto-activate-base: false
+          python-version: 3.13
+
+      - name: Conda config
+        run: >-
+          conda config --set always_yes yes
+          --set changeps1 no
+
+      - name: Install dependencies
+        run: |
+          conda install --file requirements/conda.txt
+          conda install --file requirements/tests.txt
+
+          if [ -d requirements/packs ]; then
+            for f in requirements/packs/*.txt; do
+              if [ -f "$f" ]; then
+                echo "Installing dependencies from $f"
+                conda install --file "$f"
+              fi
+            done
+          fi
+
+          python -m pip install . --no-deps
+
+      - name: Run example scripts
+        run: |
+          set -Eeuo pipefail
+          echo "Running example scripts"
+          pytest validators/validate_examples.py --cov

news/run-ex-on-releases.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* Add workflow to run ``examples/validate_examples.py`` manually.
+
+**Changed:**
+
+* Changed workflow so that ``validate_examples.py`` is ran only on manual triggers.
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

tests/conftest.py

@@ -1,26 +1,9 @@
 import json
-import shutil
 from pathlib import Path
 
 import matplotlib
 import pytest
 
-PROJECT_ROOT = Path(__file__).resolve().parents[1]
-EXAMPLES_ROOT = PROJECT_ROOT / "docs" / "examples"
-
-
-@pytest.fixture(scope="session")
-def tmp_examples(tmp_path_factory):
-    """Copy the entire examples/ tree into a temp directory once per
-    test session.
-
-    Returns the path to that copy.
-    """
-    tmpdir = tmp_path_factory.mktemp("examples")
-    tmp_examples = tmpdir / "examples"
-    shutil.copytree(EXAMPLES_ROOT, tmp_examples)
-    yield tmp_examples
-
 
 @pytest.fixture(scope="session")
 def example_cases(tmp_path_factory):

validators/validate_examples.py

@@ -0,0 +1,32 @@
+import runpy
+import shutil
+from pathlib import Path
+
+import pytest
+
+PROJECT_ROOT = Path(__file__).resolve().parents[1]
+EXAMPLES_ROOT = PROJECT_ROOT / "docs" / "examples"
+
+
+@pytest.fixture(scope="session")
+def tmp_examples(tmp_path_factory):
+    """Copy the entire examples/ tree into a temp directory once per
+    test session.
+
+    Returns the path to that copy.
+    """
+    tmpdir = tmp_path_factory.mktemp("examples")
+    tmp_examples = tmpdir / "examples"
+    shutil.copytree(EXAMPLES_ROOT, tmp_examples)
+    yield tmp_examples
+
+
+def test_all_examples(tmp_examples):
+    """Run all example scripts to ensure they execute without error."""
+    scripts = list(tmp_examples.rglob("**/solutions/diffpy-cmi/*.py"))
+    # sort list so that fitBulkNi.py runs first
+    scripts.sort(key=lambda s: 0 if s.name == "fitBulkNi.py" else 1)
+    for script in scripts:
+        script_relative_path = script.relative_to(tmp_examples)
+        print(f"Testing {script_relative_path}")
+        runpy.run_path(str(script), run_name="__main__")