support Python 3.10

- include in tests (and quote Python and GROMACS version numbers)
- update docs

.github/workflows/ci.yaml

@@ -24,24 +24,27 @@ jobs:
       matrix:
         # only test all GROMACS version on the oldest and latest
         # Python to keep the testing matrix manageable and only use 2
-        # macos runners (latest GROMACS, oldes and latest Python)
+        # macos runners (latest GROMACS, oldest and latest Python)
 
         os: [ubuntu-latest]
-        python-version: [3.9]
+        python-version: ["3.10"]
         gromacs-version: ["4.6.5", "2018.6", "2020.6", "2021.1"]
         include:
           - os: ubuntu-latest
-            python-version: 3.6
-            gromacs-version: 2021.1
+            python-version: "3.6"
+            gromacs-version: "2021.1"
           - os: ubuntu-latest
-            python-version: 3.7
-            gromacs-version: 2021.1
+            python-version:  "3.7"
+            gromacs-version: "2021.1"
           - os: ubuntu-latest
-            python-version: 3.8
-            gromacs-version: 2021.1
+            python-version: "3.8"
+            gromacs-version: "2021.1"
+          - os: ubuntu-latest
+            python-version: "3.9"
+            gromacs-version: "2021.1"	    
           - os: macos-latest
-            python-version: 3.9
-            gromacs-version: 2021.1
+            python-version: "3.10"
+            gromacs-version: "2021.1"
 
     env:
       MPLBACKEND: agg

CHANGES

@@ -10,7 +10,7 @@ ALescoulie, orbeckst
 
 Changes
 
-* dropped support for Python 2 and <3.6: only Python 3.7--3.9
+* dropped support for Python 2 and <3.6: only Python 3.7--3.10
   are supported (#177)
 * removed unused POWConfigParser.getintarray() (PR #187)
 * removed deprecated mdpow-gyhd script, use mdpow-solvationenergy

README.rst

@@ -43,7 +43,7 @@ Documentation
 Installation
 ------------
 
-See `INSTALL`_ for detailed instructions. MDPOW currently supports Python 3.7 to 3.9.
+See `INSTALL`_ for detailed instructions. MDPOW currently supports Python 3.7 to 3.10.
 
 You will also need `Gromacs`_ (currently tested with versions 4.6.5,
 2018, 2020, 2021 but 2016 and 2019 should also work).