Update workflow for building wheels

dftd3 · Dec 1, 2024 · 0778cc3 · 0778cc3
1 parent 1f03744
commit 0778cc3
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Showing 2 changed files with 16 additions and 20 deletions.
diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
@@ -24,7 +24,7 @@ jobs:
           compiler: gnu
           version: 8
 
-        - os: macos-12
+        - os: macos-13
           build: cmake
           build-type: debug
           compiler: gnu
@@ -36,7 +36,7 @@ jobs:
           compiler: gnu
           version: 9
 
-        - os: macos-12
+        - os: macos-13
           build: meson
           build-type: debug
           compiler: gnu
@@ -228,6 +228,8 @@ jobs:
     - name: Upload coverage report
       if: ${{ matrix.build-type == 'coverage' }}
       uses: codecov/codecov-action@v5
+      with:
+        token: ${{ secrets.CODECOV_TOKEN }}
 
 
   python:
@@ -256,6 +258,8 @@ jobs:
     - name: Checkout code
       uses: actions/checkout@v4
 
+    - run: pip3 install coverage
+
     - name: Install dependencies
       uses: mamba-org/setup-micromamba@v1
       with:
@@ -299,12 +303,12 @@ jobs:
         PKG_CONFIG_PATH: ${{ env.PKG_CONFIG_PATH }}:${{ env.DFTD3_PREFIX }}/lib/pkgconfig
 
     - name: Test Python API
-      run: pytest --pyargs dftd3 --cov=dftd3 -vv
+      run: pytest --pyargs dftd3 --cov=dftd3 --cov-report term --cov-report xml:coverage.xml -vv
       env:
         LD_LIBRARY_PATH: ${{ env.LD_LIBRARY_PATH }}:${{ env.DFTD3_PREFIX }}/lib
         DYLD_LIBRARY_PATH: ${{ env.DYLD_LIBRARY_PATH }}:${{ env.DFTD3_PREFIX }}/lib
 
-    - run: pip3 install coverage
-
     - name: Upload coverage report
-      uses: codecov/codecov-action@v4
+      uses: codecov/codecov-action@v5
+      with:
+        token: ${{ secrets.CODECOV_TOKEN }}
diff --git a/.github/workflows/wheel.yml b/.github/workflows/wheel.yml
@@ -69,16 +69,8 @@ jobs:
         os:
         - ubuntu-latest
         - windows-latest
-        - macos-12
-        - macos-latest
-        python: ['38', '39', '310', '311', '312', '313']
-        exclude:
-          - os: windows-latest
-            python: '39'
-          - os: windows-latest
-            python: '310'
-          - os: macos-latest
-            python: '38'
+        - macos-13
+        - macos-14
 
     defaults:
       run:
@@ -103,19 +95,19 @@ jobs:
         env:
           CIBW_CONFIG_SETTINGS: setup-args="-Ds-dftd3:openmp=false"
           CIBW_ARCHS: auto64
-          CIBW_BUILD: "*${{ matrix.python }}-*"
+          CIBW_SKIP: "{cp38-macosx_arm64,pp37-win_amd64,pp39-win_amd64}"
           CIBW_BUILD_VERBOSITY: 1
-          CIBW_ARCHS_MACOS: ${{ matrix.os == 'macos-latest' && 'arm64' || 'x86_64' }}
+          CIBW_ARCHS_MACOS: ${{ matrix.os == 'macos-14' && 'arm64' || 'x86_64' }}
           CIBW_ENVIRONMENT_MACOS: >
              CC=gcc-14 CXX=g++-14 FC=gfortran-14
-             MACOSX_DEPLOYMENT_TARGET=${{ matrix.os == 'macos-latest' && '14.0' || '12.0' }}
+             MACOSX_DEPLOYMENT_TARGET=${{ matrix.os == 'macos-14' && '14.0' || '13.0' }}
           CIBW_BEFORE_ALL_MACOS: brew install gcc@14
           CIBW_BEFORE_BUILD_WINDOWS: choco upgrade mingw && pip install delvewheel
           CIBW_REPAIR_WHEEL_COMMAND_WINDOWS: "delvewheel show {wheel} && delvewheel repair -w {dest_dir} {wheel} --no-mangle-all"
 
       - uses: actions/upload-artifact@v4
         with:
-          name: dftd3-python-${{ matrix.os }}-${{ matrix.python }}
+          name: dftd3-python-${{ matrix.os }}
           path: "*.whl"
 
   release: