Merge remote-tracking branch 'origin/main' into 161-averaging-multimer

Author: harryswift01

.github/renovate.json

@@ -7,6 +7,8 @@
     "group:recommended"
   ],
   "rangeStrategy": "pin",
+  "schedule": ["before 8am on weekdays"],
+  "labels": ["dependencies"],
   "lockFileMaintenance": {
     "enabled": true
   },

.github/workflows/mdanalysis-compatibility.yaml

@@ -21,7 +21,7 @@ jobs:
         uses: actions/checkout@v6
 
       - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v6.0.0
+        uses: actions/setup-python@v6.1.0
         with:
           python-version: ${{ matrix.python-version }}
 

.github/workflows/project-ci.yaml

@@ -21,7 +21,7 @@ jobs:
         uses: actions/checkout@v6
 
       - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v6.0.0
+        uses: actions/setup-python@v6.1.0
         with:
           python-version: ${{ matrix.python-version }}
 
@@ -42,7 +42,7 @@ jobs:
     steps:
       - uses: actions/checkout@v6
       - name: Set up Python 3.14
-        uses: actions/setup-python@v6.0.0
+        uses: actions/setup-python@v6.1.0
         with:
           python-version: 3.14
       - name: Install python dependencies
@@ -58,7 +58,7 @@ jobs:
     steps:
       - uses: actions/checkout@v6
       - name: Set up Python 3.14
-        uses: actions/setup-python@v6.0.0
+        uses: actions/setup-python@v6.1.0
         with:
           python-version: 3.14
       - name: Install python dependencies

.github/workflows/release.yaml

@@ -21,7 +21,7 @@ jobs:
       uses: actions/checkout@v6
 
     - name: Set up Python
-      uses: actions/setup-python@v6.0.0
+      uses: actions/setup-python@v6.1.0
       with:
         python-version: 3.14
 
@@ -61,7 +61,7 @@ jobs:
 
       - name: send PR
         id: pr_id
-        uses: peter-evans/create-pull-request@v7.0.8
+        uses: peter-evans/create-pull-request@84ae59a2cdc2258d6fa0732dd66352dddae2a412 # v7.0.9
         with:
           commit-message: Update version to ${{ github.event.inputs.version }}
           branch: version-update
@@ -131,7 +131,7 @@ jobs:
         ref: main
 
     - name: Set up Python
-      uses: actions/setup-python@v6.0.0
+      uses: actions/setup-python@v6.1.0
       with:
         python-version: 3.14
 

.github/workflows/renovate.yaml

@@ -38,15 +38,15 @@ classifiers = [
 keywords = ["entropy", "macromolecular systems", "MD simulation"]
 requires-python = ">=3.11"
 dependencies = [
-    "numpy==2.3.4",
+    "numpy==2.3.5",
     "mdanalysis==2.10.0",
     "pandas==2.3.3",
     "psutil==7.1.3",
     "PyYAML==6.0.3",
     "python-json-logger==4.0.0",
     "rich==14.2.0",
     "art==6.5",
-    "waterEntropy==1.2.2",
+    "waterEntropy==1.2.3",
     "requests==2.32.5",
 ]