Add workflow based on cibuildwheels (#65)

.github/workflows/wheel.yml

@@ -2,6 +2,7 @@ name: wheel
 
 on:
   push:
+  pull_request:
   workflow_dispatch:
   release:
     types: [published]
@@ -39,7 +40,7 @@ jobs:
       uses: mamba-org/setup-micromamba@v1
       with:
         environment-file: assets/ci/python-env.yaml
-        create-args: |
+        create-args: >-
           meson-python
           python-build
     - name: Reorganize repository
@@ -58,65 +59,58 @@ jobs:
         path: ./*.tar.gz
         retention-days: 5
 
-  manylinux:
+  wheels:
     needs:
       - sdist
-    runs-on: ubuntu-latest
-    container: condaforge/linux-anvil-cos7-x86_64
+    runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
       matrix:
-        python: ['3.7', '3.8', '3.9', '3.10', '3.11']
+        os:
+        - ubuntu-latest
+        - windows-latest
+        - macos-12
+        python: ['38', '39', '310', '311']
 
     defaults:
       run:
-        shell: ${{ matrix.shell || 'bash -l {0}' }}
+        shell: bash -l {0}
 
     steps:
-    - name: Create environment
-      run: >-
-        mamba create -n wheel
-        --yes
-        c-compiler
-        fortran-compiler
-        python=${{ matrix.python }}
-        auditwheel
-        git
-        python
-        pip
-        python-build
-        pkgconfig
-        patchelf
-        cffi
-        numpy
-        meson
-        unzip
-        wheel
-    - name: Download sdist
-      uses: actions/download-artifact@v4
-      with:
-        name: dftd3-python-sdist
-    - name: Build wheel
-      run: |
-        conda activate wheel
-        set -ex
-        tar xvf dftd3-*.tar.gz
-        python -m build dftd3-*/ --wheel
-        auditwheel show dftd3-*/dist/*.whl
-        auditwheel repair -w . dftd3-*/dist/*.whl --plat ${{ env.plat }}
-      env:
-        plat: manylinux${{ matrix.python == '3.6' && '2010' || '_2_12' }}_x86_64
-    - uses: actions/upload-artifact@v4
-      with:
-        name: dftd3-python-${{ matrix.python }}
-        path: ./*.whl
-        retention-days: 5
+      # Used to host cibuildwheel
+      - uses: actions/setup-python@v5
+        with:
+          python-version: '3.x'
+
+      - name: Install cibuildwheel
+        run: python -m pip install cibuildwheel==2.18.1
+
+      - name: Download sdist
+        uses: actions/download-artifact@v4
+        with:
+          name: dftd3-python-sdist
+
+      - name: Build wheels
+        run: python -m cibuildwheel --output-dir . *.tar.gz
+        env:
+          CIBW_ARCHS: auto64
+          CIBW_BUILD: "*${{ matrix.python }}-*"
+          CIBW_BUILD_VERBOSITY: 1
+          CIBW_ARCHS_MACOS: x86_64
+          CIBW_ENVIRONMENT_MACOS: CC=gcc-11 CXX=g++-11 FC=gfortran-11 MACOSX_DEPLOYMENT_TARGET=12.0
+          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 }}
+          path: "*.whl"
 
   release:
     needs:
       - source
       - sdist
-      - manylinux
+      - wheels
     runs-on: ubuntu-latest
     steps:
       - name: Download artifacts