Merge pull request #727 from OpenFreeEnergy/add-api-breaking-detection

detect if API breaks on PR

.github/workflows/change.yaml

@@ -0,0 +1,41 @@
+name: Check for API breaks
+
+on:
+  pull_request_target:
+    branches:
+      - main
+
+jobs:
+  check:
+    runs-on: ubuntu-latest
+    permissions:
+      pull-requests: write
+
+    steps:
+    - uses: actions/checkout@v4
+      with:
+        fetch-depth: 0
+
+    - uses: actions/setup-python@v5
+      with:
+        python-version: "3.12"
+
+    - name: Check for API breaks
+      continue-on-error: true
+      id: check
+      run: |
+        pip install griffe
+        griffe check "openfe" --verbose
+
+    - name: Post Comment on Failure
+      if: steps.check.outcome == 'failure'
+      uses: actions/github-script@v7
+      with:
+        script: |
+          const prNumber = context.payload.pull_request.number;
+          github.rest.issues.createComment({
+            owner: context.repo.owner,
+            repo: context.repo.repo,
+            issue_number: prNumber,
+            body: '🚨 API breaking changes detected! 🚨'
+          });

openfe/analysis/plotting.py

@@ -33,7 +33,7 @@ def plot_lambda_transition_matrix(matrix: npt.NDArray) -> Axes:
     Notes
     -----
     Borrowed from `alchemlyb <https://github.com/alchemistry/alchemlyb/blob/master/src/alchemlyb/visualisation/mbar_matrix.py>`_
-    which itself borrows from `alchemical-analysis <https://github.com/MobleyLab/alchemical-analysis>`_. 
+    which itself borrows from `alchemical-analysis <https://github.com/MobleyLab/alchemical-analysis>`_.
     """
     num_states = len(matrix)