give VS build tools a try

Author: DanielYang59

.github/workflows/test.yml

@@ -73,6 +73,18 @@ jobs:
         run: |
           micromamba install -n pmg -c conda-forge bader enumlib openff-toolkit packmol pygraphviz tblite --yes
 
+      - name: Install Visual Studio build tools on Windows
+        # TODO: remove this, as install these just to build
+        # a single package is too much
+        if: matrix.config.os == 'windows-latest'
+        run: |
+          choco install visualstudio2022buildtools --include-optional
+          choco install visualstudio2022-workload-vctools
+
+      - name: Setup MSVC for Windows
+        if: matrix.config.os == 'windows-latest'
+        uses: ilammy/msvc-dev-cmd@v1
+
       - name: Install pymatgen and dependencies via uv
         run: |
           micromamba activate pmg

pyproject.toml

@@ -102,7 +102,8 @@ optional = [
     "ase>=3.23.0",
     "beautifulsoup4",
     # BoltzTraP2 build fails on Windows GitHub runners
-    "BoltzTraP2>=24.9.4 ; platform_system != 'Windows'",
+    # "BoltzTraP2>=24.9.4 ; platform_system != 'Windows'",
+    "BoltzTraP2>=24.9.4",
     "chemview>=0.6",
     "chgnet>=0.3.8",
     "f90nml>=1.1.2",