Improved CI workflows (#53)

RedesignScience · Jan 31, 2024 · 5bc941d · 5bc941d
1 parent ecd6072
commit 5bc941d
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Showing 3 changed files with 21 additions and 9 deletions.
diff --git a/.github/workflows/Linux.yaml b/.github/workflows/Linux.yaml
@@ -21,9 +21,18 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [ubuntu-latest]
-        python-version: [3.9, 3.11]
-        openmm-version: ["7.7", "8.0", "8.1"]
+        include:
+          - os: ubuntu-latest
+            python-version: "3.11"
+            openmm-version: "8.1"
+
+          - os: ubuntu-latest
+            python-version: "3.10"
+            openmm-version: "8.0"
+
+          - os: ubuntu-latest
+            python-version: "3.9"
+            openmm-version: "7.7"
 
     steps:
       - uses: actions/checkout@v3
@@ -41,6 +50,7 @@ jobs:
           environment-name: test
           create-args: >-
             python=${{ matrix.python-version }}
+            openmm=${{ matrix.openmm-version }}
 
       - name: Install package
         # conda setup requires this special shell

diff --git a/.github/workflows/MacOS.yaml b/.github/workflows/MacOS.yaml
@@ -21,9 +21,10 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [macOS-latest]
-        python-version: [3.11]
-        openmm-version: ["8.1"]
+        include:
+          - os: macos-latest
+            python-version: "3.11"
+            openmm-version: "8.1"
 
     steps:
       - uses: actions/checkout@v3

diff --git a/.github/workflows/Windows.yaml b/.github/workflows/Windows.yaml
@@ -21,9 +21,10 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [windows-latest]
-        python-version: [3.11]
-        openmm-version: ["8.1"]
+        include:
+          - os: windows-latest
+            python-version: "3.11"
+            openmm-version: "8.1"
 
     steps:
       - uses: actions/checkout@v3