Residue Bonded Axes

.github/workflows/pr.yaml

@@ -2,17 +2,22 @@ name: Pull Request CI
 
 on:
   pull_request:
+  push:
+    branches: [main]
 
 permissions:
   contents: read
+  checks: write
+  pull-requests: write
 
 concurrency:
-  group: pr-ci-${{ github.ref }}
+  group: pr-${{ github.ref }}
   cancel-in-progress: true
 
 jobs:
   unit:
     name: Unit
+    if: github.event_name == 'pull_request'
     runs-on: ${{ matrix.os }}
     timeout-minutes: 25
     strategy:
@@ -35,11 +40,12 @@ jobs:
           python -m pip install --upgrade pip
           python -m pip install -e .[testing]
 
-      - name: Pytest unit • ${{ matrix.os }}, ${{ matrix.python-version }}
+      - name: Pytest (unit) • ${{ matrix.os }}, ${{ matrix.python-version }}
         run: python -m pytest tests/unit
 
   discover-systems:
     name: Discover regression systems
+    if: github.event_name == 'pull_request'
     runs-on: ubuntu-24.04
     outputs:
       systems: ${{ steps.set-systems.outputs.systems }}
@@ -62,10 +68,11 @@ jobs:
         id: set-systems
         run: |
           SYSTEMS=$(python -m tests.regression.list_systems)
-          echo "systems=$SYSTEMS" >> "$GITHUB_OUTPUT"
+          echo "systems=$SYSTEMS" >> $GITHUB_OUTPUT
 
   regression-quick:
-    name: Regression fast • ${{ matrix.system }}
+    name: Regression (fast) • ${{ matrix.system }}
+    if: github.event_name == 'pull_request'
     needs: discover-systems
     runs-on: ubuntu-24.04
     timeout-minutes: 35
@@ -110,6 +117,7 @@ jobs:
 
   docs:
     name: Docs
+    if: github.event_name == 'pull_request'
     needs: unit
     runs-on: ubuntu-24.04
     timeout-minutes: 25
@@ -142,6 +150,7 @@ jobs:
 
   pre-commit:
     name: Pre-commit
+    if: github.event_name == 'pull_request'
     needs: unit
     runs-on: ubuntu-24.04
     timeout-minutes: 15
@@ -175,12 +184,6 @@ jobs:
     runs-on: ubuntu-24.04
     timeout-minutes: 30
 
-    permissions:
-      contents: read
-      checks: write
-      statuses: write
-      pull-requests: write
-
     steps:
       - name: Checkout
         uses: actions/checkout@8e8c483db84b4bee98b60c0593521ed34d9990e8

CITATION.cff

@@ -76,5 +76,5 @@ keywords:
   - biomolecular simulations
   - protein flexibility
 license: MIT
-version: 2.3.0
-date-released: '2026-06-26'
+version: 2.2.4
+date-released: '2026-05-15'

CodeEntropy/__init__.py

@@ -8,4 +8,4 @@
 and statistical mechanics.
 """
 
-__version__ = "2.3.0"
+__version__ = "2.2.4"

CodeEntropy/entropy/workflow.py

@@ -26,8 +26,8 @@
 from CodeEntropy.core.logging import LoggingConfig
 from CodeEntropy.entropy.graph import EntropyGraph
 from CodeEntropy.entropy.water import WaterEntropy
-from CodeEntropy.levels.graph.level_dag import LevelDAG
 from CodeEntropy.levels.hierarchy import HierarchyBuilder
+from CodeEntropy.levels.level_dag import LevelDAG
 from CodeEntropy.trajectory.frames import FrameSelection
 from CodeEntropy.trajectory.source import FrameSource