[WIP] Include GPU in wheels

.github/workflows/testing_wheels.yml

@@ -41,6 +41,11 @@ jobs:
       CIBW_BUILD: "${{ matrix.cibw.build || '*' }}"
       CIBW_ARCHS: "${{ matrix.cibw.arch || 'auto' }}"
       CIBW_MANYLINUX_X86_64_IMAGE: "${{ matrix.cibw.manylinux_image }}"
+      CIBW_BEFORE_ALL_LINUX: "bash build_tools/cuda_install.sh && echo $PATH"
+      # Testing: wrong immintrin headers may be due to PATH priority order.
+      # Switched new CUDA paths to front in attempt to fix.
+      CIBW_ENVIRONMENT_LINUX: PATH=/usr/local/cuda-11/bin:$PATH LD_LIBRARY_PATH=/usr/local/cuda-11/lib64:$LD_LIBRARY_PATH
+      CIBW_ENVIRONMENT_PASS_LINUX: PATH LD_LIBRARY_PATH
       CIBW_BEFORE_BUILD_MACOS: "brew install libomp"
       CIBW_REPAIR_WHEEL_COMMAND_MACOS: ""
       # due to package and module name conflict have to temporarily move it away to run tests
@@ -52,11 +57,19 @@ jobs:
       # Used to host cibuildwheel
       - uses: actions/setup-python@v2
 
+      # Install NVCC on Ubuntu to include GPU in the wheel.
+      - name: cuda-toolkit
+        if: ${{ matrix.os == 'ubuntu-20.04' }}
+        uses: Jimver/[email protected]
+        with:
+          cuda: "11.5.1"
+
       - name: Install cibuildwheel and twine
         run: python -m pip install cibuildwheel==1.11.0
 
-      - name: Run C++ tests
-        run: bash build_tools/test_libs.sh
+      # temporary
+      # - name: Run C++ tests
+      #   run: bash build_tools/test_libs.sh
 
       - name: Build wheels
         run: python -m cibuildwheel --output-dir wheelhouse

build_tools/cuda_install.sh

@@ -0,0 +1,31 @@
+#!/bin/bash
+set -x
+
+# install dependencies
+kernel_version=$(uname -r)
+yum clean all
+yum install -y kernel
+yum install -y kernel-devel-${kernel_version} kernel-headers-${kernel_version} pciutils
+
+# install python and CUDA toolkit
+# TODO: need to pin version
+
+yum install -y yum-utils epel-release
+yum install -y python3-devel.x86_64
+yum-config-manager --add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel7/x86_64/cuda-rhel7.repo
+yum clean all
+yum -y install nvidia-driver-latest-dkms cuda
+yum -y install cuda-drivers
+
+# post-install actions
+
+# commented to allow outer PATH-setting
+# export PATH=/usr/local/cuda-11/bin:$PATH
+# export LD_LIBRARY_PATH=/usr/local/cuda-11/lib64:$LD_LIBRARY_PATH
+
+# works here, does not escape to build process
+nvcc --version
+which nvcc
+nvidia-smi
+
+set +x

pybind_interface/cuda/CMakeLists.txt

@@ -27,7 +27,7 @@ if(NOT pybind11_POPULATED)
   add_subdirectory(${pybind11_SOURCE_DIR} ${pybind11_BINARY_DIR})
 endif()
 
-find_package(PythonLibs 3.6 REQUIRED)
+find_package(Python 3.6 REQUIRED COMPONENTS Interpreter Development)
 find_package(CUDA REQUIRED)
 
 include_directories(${PYTHON_INCLUDE_DIRS} ${pybind11_SOURCE_DIR}/include)