diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index 2f45b579..69715f23 100644 --- 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: ${{ secrets.CODECOV_TOKEN }} diff --git a/.github/workflows/wheel.yml b/.github/workflows/wheel.yml index 0a28bcb1..1eef8fa5 100644 --- a/.github/workflows/wheel.yml +++ b/.github/workflows/wheel.yml @@ -69,16 +69,8 @@ jobs: os: - ubuntu-latest - windows-latest - - macos-12 - - macos-latest - python: ['38', '39', '310', '311', '312', '313'] - exclude: - - os: windows-latest - python: '39' - - os: windows-latest - python: '310' - - os: macos-latest - python: '38' + - macos-13 + - macos-14 defaults: run: @@ -103,19 +95,19 @@ jobs: env: CIBW_CONFIG_SETTINGS: setup-args="-Ds-dftd3:openmp=false" CIBW_ARCHS: auto64 - CIBW_BUILD: "*${{ 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: