Merge pull request #549 from janden/cufinufft_wheel_building

Update cufinufft wheel building scripts

tools/cufinufft/distribution_helper.sh

@@ -2,68 +2,59 @@
 
 # Helper Script For Building Wheels
 
-cufinufft_version=2.2
 manylinux_version=manylinux2014
-cuda_version=11.0
+cuda_version=11.2
 dockerhub=janden
 
+image_name=cufinufft-cuda${cuda_version}
 
 echo "# Build the docker image"
 docker build \
     --file tools/cufinufft/docker/cuda${cuda_version}/Dockerfile-x86_64 \
-    --tag ${dockerhub}/cufinufft-${cufinufft_version}-${manylinux_version} .
-
+    --tag ${dockerhub}/cufinufft-cuda${cuda_version} \
+    .
 
 echo "# Create the container and start it"
 docker create \
     --gpus all \
     --interactive \
     --tty \
     --volume $(pwd)/wheelhouse:/io/wheelhouse \
-    --env PLAT=${manylinux_version}_x86_64 \
-    --env LIBRARY_PATH="/io/build" \
-    --env LD_LIBRARY_PATH="/io/build" \
-    --name cufinufft \
-    ${dockerhub}/cufinufft-${cufinufft_version}-${manylinux_version}
+    --name ${image_name} \
+    ${dockerhub}/${image_name}
 
-docker start cufinufft
+docker start ${image_name}
 
-echo "# Copy the code and build the library"
-docker cp . cufinufft:/io
-docker exec cufinufft /io/tools/cufinufft/build-library.sh
+echo "# Copy the code"
+docker cp . ${image_name}:/io
 
 echo "# Build the wheels"
-docker exec cufinufft /io/tools/cufinufft/build-wheels.sh
+docker exec ${image_name} \
+    python3 -m pip wheel \
+    --verbose \
+    /io/python/cufinufft \
+    --config-settings=cmake.define.FINUFFT_CUDA_ARCHITECTURES="50;60;70;80" \
+    --config-settings=cmake.define.CMAKE_CUDA_FLAGS="-Wno-deprecated-gpu-targets" \
+    --config-settings=cmake.define.FINUFFT_ARCH_FLAGS="" \
+    --config-settings=cmake.define.CMAKE_VERBOSE_MAKEFILE=ON \
+    --no-deps \
+    --wheel-dir /io/wheelhouse
+
+wheel_name=$(docker exec ${image_name} bash -c 'ls /io/wheelhouse/cufinufft-*-linux_x86_64.whl')
+
+echo "# Repair the wheels"
+docker exec ${image_name} \
+    python3 -m auditwheel repair \
+    ${wheel_name} \
+    --plat manylinux2014_x86_64 \
+    --wheel-dir /io/wheelhouse/
 
 echo "# Shut down the container and remove it"
-docker stop cufinufft
-docker rm cufinufft
+docker stop ${image_name}
+docker rm ${image_name}
 
 echo "# Copy the wheels we care about to the dist folder"
 mkdir -p dist
-cp -v wheelhouse/cufinufft-${cufinufft_version}-cp3*${manylinux_version}* dist
-
-echo "The following steps should be performed manually for now.\n"
-
-echo "# Push to Test PyPI for review/testing"
-echo "#twine upload -r testpypi dist/*"
-echo
-
-
-echo "# Tag release."
-## Can do in a repo and push or on manually on GH gui.
-echo
-
-
-echo "# Review wheels from test index"
-echo "#pip install -i https://test.pypi.org/simple/ --no-deps cufinufft"
-echo
-
-
-echo "# Push to live index"
-echo "## twine upload dist/*"
-echo
-
+cp -v wheelhouse/cufinufft-*${manylinux_version}* dist
 
-echo "# optionally push it (might take a long time)."
-echo "#docker push ${dockerhub}/cufinufft-${cufinufft_version}-${manylinux_version}"
+# TODO: Test installing the wheels and running pytest.

tools/cufinufft/docker/README

@@ -0,0 +1,5 @@
+These configurations are based off of manylinux2014, which is itself based off
+of centos8.
+
+These images extend manylinux with a compatible CUDA toolkit and runtime
+environment suitable for both building and running code inside docker.

tools/cufinufft/docker/cuda11.2/Dockerfile-x86_64

@@ -63,3 +63,12 @@ ENV PATH /opt/rh/devtoolset-9/root/usr/bin:${PATH}
 RUN yum install -y \
         cmake && \
     rm -rf /var/cache/yum/*
+
+# pick py312 as default
+RUN ln -s /opt/python/cp312-cp312/bin/python3 /usr/bin/python3
+
+# upgrade pip, install auditwheel
+RUN python3 -m pip install --no-cache-dir --upgrade pip && \
+    python3 -m pip install --no-cache-dir --upgrade auditwheel
+
+CMD ["/bin/bash"]

tools/cufinufft/docker/cuda11.8/Dockerfile-x86_64

@@ -0,0 +1,74 @@
+FROM quay.io/pypa/manylinux2014_x86_64
+LABEL maintainer "Joakim Andén"
+
+ENV CUDA_MAJOR 11
+ENV CUDA_MINOR 8
+ENV CUDA_DASH_VERSION ${CUDA_MAJOR}-${CUDA_MINOR}
+ENV CUDA_DOT_VERSION ${CUDA_MAJOR}.${CUDA_MINOR}
+
+# ---- The following block adds layers for CUDA --- #
+# base
+RUN NVIDIA_GPGKEY_SUM=d0664fbbdb8c32356d45de36c5984617217b2d0bef41b93ccecd326ba3b80c87 && \
+    curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/rhel8/x86_64/D42D0685.pub | sed '/^Version/d' > /etc/pki/rpm-gpg/RPM-GPG-KEY-NVIDIA && \
+    echo "$NVIDIA_GPGKEY_SUM  /etc/pki/rpm-gpg/RPM-GPG-KEY-NVIDIA" | sha256sum -c --strict -
+
+COPY tools/cufinufft/docker/cuda${CUDA_DOT_VERSION}/cuda.repo /etc/yum.repos.d/cuda.repo
+
+# For libraries in the cuda-compat-* package: https://docs.nvidia.com/cuda/eula/index.html#attachment-a
+RUN yum install -y \
+        cuda-cudart-${CUDA_DASH_VERSION} \
+        cuda-compat-${CUDA_DASH_VERSION} && \
+    ln -s cuda-${CUDA_DOT_VERSION} /usr/local/cuda && \
+    rm -rf /var/cache/yum/*
+
+# nvidia-docker 1.0
+RUN echo "/usr/local/nvidia/lib" >> /etc/ld.so.conf.d/nvidia.conf && \
+    echo "/usr/local/nvidia/lib64" >> /etc/ld.so.conf.d/nvidia.conf
+
+ENV PATH /usr/local/nvidia/bin:/usr/local/cuda/bin:${PATH}
+ENV LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/usr/local/nvidia/lib:/usr/local/nvidia/lib64
+
+# nvidia-container-runtime
+ENV NVIDIA_VISIBLE_DEVICES all
+ENV NVIDIA_DRIVER_CAPABILITIES compute,utility
+ENV NVIDIA_REQUIRE_CUDA "cuda>=${CUDA_DOT_VERSION} brand=tesla,driver>=418,driver<419 brand=tesla,driver>=440,driver<441"
+
+# runtime
+RUN yum install -y \
+        cuda-libraries-${CUDA_DASH_VERSION} \
+        cuda-nvtx-${CUDA_DASH_VERSION} && \
+    rm -rf /var/cache/yum/*
+
+# devel
+RUN yum install -y \
+        cuda-cudart-devel-${CUDA_DASH_VERSION} \
+        cuda-libraries-devel-${CUDA_DASH_VERSION} \
+        cuda-nvprof-${CUDA_DASH_VERSION} \
+        cuda-nvcc-${CUDA_DASH_VERSION} && \
+    rm -rf /var/cache/yum/*
+
+ENV LIBRARY_PATH /usr/local/cuda/lib64/stubs
+
+# /CUDA #
+
+# CUDA 11 doesn't work on gcc/g++ newer than v9
+RUN yum install -y \
+        devtoolset-9-gcc \
+        devtoolset-9-gcc-c++ && \
+    rm -rf /var/cache/yum/*
+
+ENV PATH /opt/rh/devtoolset-9/root/usr/bin:${PATH}
+
+# finufft reqs
+RUN yum install -y \
+        cmake && \
+    rm -rf /var/cache/yum/*
+
+# pick py312 as default
+RUN ln -s /opt/python/cp312-cp312/bin/python3 /usr/bin/python3
+
+# upgrade pip, install auditwheel
+RUN python3 -m pip install --no-cache-dir --upgrade pip && \
+    python3 -m pip install --no-cache-dir --upgrade auditwheel
+
+CMD ["/bin/bash"]

tools/cufinufft/docker/cuda11.8/cuda.repo

@@ -0,0 +1,6 @@
+[cuda]
+name=cuda
+baseurl=https://developer.download.nvidia.com/compute/cuda/repos/rhel8/x86_64
+enabled=1
+gpgcheck=1
+gpgkey=file:///etc/pki/rpm-gpg/RPM-GPG-KEY-NVIDIA

tools/cufinufft/docker/cuda12.0/Dockerfile-x86_64

@@ -66,32 +66,11 @@ RUN yum install -y \
         cmake && \
     rm -rf /var/cache/yum/*
 
-# Okay, so now we can begin cufinufft
-
-# Only copy the C++/CUDA code (this way the cache is not invalidated by changes
-# to the Python code or to the docs).
-COPY src /io/src
-COPY fortran /io/fortran
-COPY include /io/include
-COPY test /io/test
-COPY perftest /io/perftest
-COPY examples /io/examples
-COPY cmake /io/cmake
-COPY contrib /io/contrib
-COPY CMakeLists.txt /io/
-
-# Set up cmake and build the code.
-RUN mkdir -p /io/build
-WORKDIR /io/build
-RUN cmake -D FINUFFT_USE_CUDA=ON -D FINUFFT_USE_CPU=OFF -D CMAKE_CUDA_ARCHITECTURES="50;60;70;75;80;90" -DBUILD_TESTING=ON -DFINUFFT_BUILD_TESTS=ON ..
-RUN make -j4
-
-# Need to pack the compiled library into our path.
-ENV LD_LIBRARY_PATH /io/build:${LD_LIBRARY_PATH}
-
-# Now copy the rest of the repository in.
-COPY python /io/python
-COPY docs /io/docs
-COPY tools /io/tools
+# pick py312 as default
+RUN ln -s /opt/python/cp312-cp312/bin/python3 /usr/bin/python3
+
+# upgrade pip, install auditwheel
+RUN python3 -m pip install --no-cache-dir --upgrade pip && \
+    python3 -m pip install --no-cache-dir --upgrade auditwheel
 
 CMD ["/bin/bash"]