test on Python 3.7 - 3.10

- fix #202
- add testing for Python 3.10
- dropped tests for Python 3.6 (should have been removed in 0.8.0)
- update setup.py and CHANGES

.github/workflows/ci.yaml

@@ -31,12 +31,9 @@ jobs:
         # 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"
           - os: ubuntu-latest
             python-version:  "3.7"
             gromacs-version: "2021.1"
@@ -49,6 +46,9 @@ jobs:
           - os: macos-latest
             python-version: "3.9"
             gromacs-version: "2021.1"
+          - os: macos-latest
+            python-version: "3.10"
+            gromacs-version: "2021.1"
 
     env:
       MPLBACKEND: agg

CHANGES

@@ -2,11 +2,18 @@
 CHANGES for MDPOW
 =================
 
-Add summary of changes for each release. Use ISO dates. Reference
+Add summary of changes for each release. Use ISO 8061 dates. Reference
 GitHub issues numbers and PR numbers.
 
+
+
 2022-??-??    0.8.1
-cadeduckworth
+cadeduckworth, orbeckst
+
+Changes
+
+* added support for Python 3.10
+* dropped testing on Python 3.6 
 
 Fixes
 

setup.py

@@ -29,6 +29,7 @@
           "Programming Language :: Python :: 3.7",
           "Programming Language :: Python :: 3.8",
           "Programming Language :: Python :: 3.9",
+          "Programming Language :: Python :: 3.10",
           "Topic :: Scientific/Engineering :: Chemistry",
           "Topic :: Scientific/Engineering :: Physics",
       ],