Release prep v1.6.1

.github/workflows/ci.yaml

@@ -87,17 +87,17 @@ jobs:
       - name: "Install"
         run: python -m pip install --no-deps -e .
 
-      - name: "Test imports"
-        run: |
-          # if we add more to this, consider changing to for + env vars
-          python -Ic "import openfe; print(openfe.__version__)"
-
       - name: "Environment Information"
         run: |
           micromamba info
           micromamba list
           pip list
 
+      - name: "Test imports"
+        run: |
+          # if we add more to this, consider changing to for + env vars
+          python -Ic "import openfe; print(openfe.__version__)"
+
       - name: "Run tests"
         env:
           # Set the OFE_SLOW_TESTS to True if running a Cron job

devtools/installer/construct.yaml

@@ -21,7 +21,7 @@ specs:
   - pytest-xdist
   # python needs to match https://github.com/googlecolab/backend-info/blob/main/os-info.txt
   # until colab pushes a fix
-  - python 3.11.12
+  - python 3.12.11
 
 # Not building an .exe for windows or a .pkg for macOS
 installer_type: sh

docs/CHANGELOG.rst

@@ -4,6 +4,25 @@ Changelog
 
 .. current developments
 
+v1.6.1
+====================
+This release includes minor fixes and updates to tests. 
+
+**Added:**
+
+* Added a cookbook for using ``jq`` to inspect JSON files.
+
+**Changed:**
+
+* Remove unnecessary limit on residues ids (``resids``) when getting mappings from topology in ``topology_helpers.py`` utility module.
+* The relative hybrid topology protocol no longer runs the FIRE minimizer when ``dry=True``.
+
+**Fixed:**
+
+* Updated tests to expect to find NAGL, now that it is supported.
+
+
+
 v1.6.0
 ====================
 This release adds support for OpenMM 8.3.0 and Python 3.13.