Create binary wheels against ABI-compatible mpi4py

.github/workflows/build-wheels.yml

@@ -8,7 +8,7 @@ on:
     inputs:
       dolfinx_ref:
         description: "dolfinx git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
       build_fenicsx_stack:
@@ -18,24 +18,24 @@ on:
 
       basix_ref:
         description: "basix git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
       ufl_ref:
         description: "ufl git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
       ffcx_ref:
         description: "ffcx git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
   workflow_call:
     inputs:
       dolfinx_ref:
         description: "dolfinx git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
       build_fenicsx_stack:
@@ -45,17 +45,17 @@ on:
 
       basix_ref:
         description: "basix git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
       ufl_ref:
         description: "ufl git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
       ffcx_ref:
         description: "ffcx git ref to checkout"
-        default: ""
+        default: "main"
         type: string
 
 jobs:
@@ -64,18 +64,18 @@ jobs:
     runs-on: ubuntu-latest
 
     env:
-      MPI4PY_VERSION: 3.1.2
-      PETSC4PY_VERSION: 3.16.1
-      CIBW_MANYLINUX_X86_64_IMAGE: docker.io/fenicsproject/wheelbuilder_x86_64:latest
-      CIBW_BUILD: cp37-manylinux_x86_64 cp38-manylinux_x86_64 cp39-manylinux_x86_64
+      CIBW_BUILD: cp39-manylinux_x86_64
       CIBW_BUILD_VERBOSITY: 1
-      CIBW_ENVIRONMENT: PIP_EXTRA_INDEX_URL=file:///project/simple PETSC_DIR=/usr/local MAKEFLAGS=-j2
+      CIBW_ENVIRONMENT: PIP_EXTRA_INDEX_URL=file:///project/simple MAKEFLAGS=-j3
+      CIBW_MANYLINUX_X86_64_IMAGE: quay.io/pypa/manylinux_2_34_x86_64:2024-11-24-a3012f3
 
     steps:
       - uses: actions/setup-python@v5
+        with:
+          python-version: 3.12
 
       - name: Install Python dependencies
-        run: python -m pip install cibuildwheel simple503 wheel
+        run: python -m pip install cibuildwheel simple503 build
 
       - name: Checkout Basix
         if: ${{ github.event.inputs.build_fenicsx_stack == 'true' }}
@@ -88,8 +88,8 @@ jobs:
       - name: Build Basix wheel
         if: ${{ github.event.inputs.build_fenicsx_stack == 'true' }}
         run: |
-          cd basix
-          python -m cibuildwheel --output-dir ../wheelhouse .
+          cd basix/
+          python -m cibuildwheel --output-dir ../wheelhouse/ .
 
       - name: Checkout UFL
         if: ${{ github.event.inputs.build_fenicsx_stack == 'true' }}
@@ -101,7 +101,8 @@ jobs:
 
       - name: Build UFL wheel
         if: ${{ github.event.inputs.build_fenicsx_stack == 'true' }}
-        run: python -m pip wheel --no-deps -w wheelhouse ./ufl
+        run: |
+          python -m build -o wheelhouse/ ufl/
 
       - name: Checkout FFCx
         if: ${{ github.event.inputs.build_fenicsx_stack == 'true' }}
@@ -113,39 +114,15 @@ jobs:
 
       - name: Build FFCx wheel
         if: ${{ github.event.inputs.build_fenicsx_stack == 'true' }}
-        run: python -m pip wheel --no-deps -w wheelhouse ./ffcx
-
-      - name: Download mpi4py
         run: |
-          curl -L -O https://github.com/mpi4py/mpi4py/releases/download/${MPI4PY_VERSION}/mpi4py-${MPI4PY_VERSION}.tar.gz
-          mkdir -p mpi4py
-          tar -xf mpi4py-${MPI4PY_VERSION}.tar.gz -C mpi4py --strip-components 1
-
-      - name: Build mpi4py wheels
-        run: python -m cibuildwheel --output-dir wheelhouse mpi4py
+          python -m build -o wheelhouse/ ffcx/
 
       - name: Make temporary simple503 repository
         run: |
           mkdir -p simple
           cp wheelhouse/* simple/
           python -m simple503 --base-url file:///project/simple simple
 
-      - name: Download petsc4py
-        run: |
-          curl -L -O https://pypi.io/packages/source/p/petsc4py/petsc4py-${PETSC4PY_VERSION}.tar.gz
-          mkdir -p petsc4py
-          tar -xf petsc4py-${PETSC4PY_VERSION}.tar.gz -C petsc4py --strip-components 1
-
-      - name: Build petsc4py wheels
-        run: python -m cibuildwheel --output-dir wheelhouse petsc4py
-        env:
-          CIBW_BEFORE_BUILD: python -m pip install numpy # Not specified correctly in petsc4py
-
-      - name: Update temporary simple503 repository
-        run: |
-          cp wheelhouse/* simple/
-          python -m simple503 --base-url file:///project/simple simple
-
       - name: Checkout DOLFINx
         uses: actions/checkout@v4
         with:
@@ -155,10 +132,27 @@ jobs:
       # fenics-ffcx and fenics-basix are required by DOLFINx C++ build
       # mpi4py and petsc4py are build_requirements of DOLFINx Python
       - name: Build DOLFINx wheel
-        run: python -m cibuildwheel --output-dir wheelhouse dolfinx/python
+        run: |
+          python -m cibuildwheel --output-dir wheelhouse/ dolfinx/python
         env:
-          CIBW_BEFORE_BUILD: python -m pip -v install --prefer-binary fenics-ffcx fenics-basix && python -m pip -v install --prefer-binary petsc4py mpi4py && cmake -S dolfinx/cpp -B build-dir -DPython3_EXECUTABLE=$(which python) && cmake --build build-dir && cmake --install build-dir
-          CIBW_REPAIR_WHEEL_COMMAND_LINUX: export LD_LIBRARY_PATH=$(python -c "import site; print(site.getsitepackages()[0] + '/fenics_basix.libs')") && auditwheel repair -w {dest_dir} {wheel}
+          CIBW_BEFORE_BUILD: |
+            . /etc/profile &&
+            dnf -y update &&
+            dnf install -y dnf-plugins-core &&
+            dnf install -y epel-release &&
+            /usr/bin/crb enable &&
+            dnf -y update &&
+            dnf -y install boost-devel boost-program-options cmake hdf5-devel hdf5-mpich-devel make mpich-devel openblas-devel pugixml-devel spdlog-devel &&
+            module load mpi/mpich-$(arch) &&
+            pip -v install mpi4py -i https://pypi.anaconda.org/mpi4py/simple &&
+            pip -v install 'fenics-basix==0.10.0.dev0' 'fenics-ffcx==0.10.0.dev0' 'fenics-ufl==2024.3.0.dev0' &&
+            pip -v install scikit-build-core[pyproject] nanobind &&
+            /usr/bin/cmake -S dolfinx/cpp -B build-dir -DPython3_EXECUTABLE=$(which python) -DHDF5_C_INCLUDE_DIR=/usr/include/mpich-$(arch) -DHDF5_C_LIBRARIES=/usr/lib64/mpich/lib &&
+            /usr/bin/cmake --build build-dir &&
+            /usr/bin/cmake --install build-dir
+          CIBW_REPAIR_WHEEL_COMMAND_LINUX: export LD_LIBRARY_PATH=$(python -c "import site; print(site.getsitepackages()[0] + '/fenics_basix.libs')"):${LD_LIBRARY_PATH} && auditwheel repair -w {dest_dir} {wheel}
+          CIBW_ENVIRONMENT: PIP_EXTRA_INDEX_URL=file:///project/simple MAKEFLAGS=-j3
+          CIBW_BUILD_FRONTEND: "pip; args: --no-build-isolation"
 
       - name: Update temporary simple503 repository
         run: |
@@ -189,16 +183,3 @@ jobs:
         with:
           name: "simple503"
           path: simple/*
-
-      # Extract mpiexec from docker image
-      - name: Extract mpiexec.hydra from Docker image
-        run: |
-          export CONTAINER_ID=$(docker create ${CIBW_MANYLINUX_X86_64_IMAGE})
-          docker cp ${CONTAINER_ID}:/usr/local/bin/mpiexec.hydra mpiexec.hydra
-          docker rm ${CONTAINER_ID}
-
-      - name: Upload mpiexec artifact
-        uses: actions/upload-artifact@v4
-        with:
-          name: "mpiexec.hydra"
-          path: mpiexec.hydra

cpp/CMakeLists.txt

@@ -297,11 +297,11 @@ endif()
 find_package(pugixml REQUIRED)
 
 # Note: When updating Boost version, also update DOLFINXConfig.cmake.in
-if(DEFINED ENV{BOOST_ROOT} OR DEFINED BOOST_ROOT)
-  set(Boost_NO_SYSTEM_PATHS on)
-endif()
+#if(DEFINED ENV{BOOST_ROOT} OR DEFINED BOOST_ROOT)
+#  set(Boost_NO_SYSTEM_PATHS on)
+#endif()
 
-set(Boost_USE_MULTITHREADED $ENV{BOOST_USE_MULTITHREADED})
+#set(Boost_USE_MULTITHREADED $ENV{BOOST_USE_MULTITHREADED})
 set(Boost_VERBOSE TRUE)
 find_package(Boost 1.70 REQUIRED)
 set_package_properties(