Build wheels for pylibwholegraph (#40)

Authors:
  - Tingyu Wang (https://github.com/tingyu66)

Approvers:
  - Brad Rees (https://github.com/BradReesWork)

URL: #40

.github/workflows/build.yaml

@@ -65,3 +65,21 @@ jobs:
       branch: ${{ inputs.branch }}
       date: ${{ inputs.date }}
       sha: ${{ inputs.sha }}
+  wheel-build-pylibwholegraph:
+    secrets: inherit
+    uses: rapidsai/shared-action-workflows/.github/workflows/[email protected]
+    with:
+      build_type: ${{ inputs.build_type || 'branch' }}
+      branch: ${{ inputs.branch }}
+      sha: ${{ inputs.sha }}
+      date: ${{ inputs.date }}
+  wheel-publish-pylibwholegraph:
+    needs: wheel-build-pylibwholegraph
+    secrets: inherit
+    uses: rapidsai/shared-action-workflows/.github/workflows/[email protected]
+    with:
+      build_type: ${{ inputs.build_type || 'branch' }}
+      branch: ${{ inputs.branch }}
+      sha: ${{ inputs.sha }}
+      date: ${{ inputs.date }}
+      package-name: pylibwholegraph

.github/workflows/pr.yaml

@@ -18,6 +18,8 @@ jobs:
       - conda-python-build
       - conda-python-tests
       - docs-build
+      - wheel-build-pylibwholegraph
+      - wheel-test-pylibwholegraph
     secrets: inherit
     uses: rapidsai/shared-action-workflows/.github/workflows/[email protected]
   checks:
@@ -59,3 +61,18 @@ jobs:
       arch: "amd64"
       container_image: "rapidsai/ci:latest"
       run_script: "ci/build_docs.sh"
+  wheel-build-pylibwholegraph:
+    needs: checks
+    secrets: inherit
+    uses: rapidsai/shared-action-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/build_wheel.sh
+  wheel-test-pylibwholegraph:
+    needs: wheel-build-pylibwholegraph
+    secrets: inherit
+    uses: rapidsai/shared-action-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/test_wheel.sh
+      matrix_filter: map(select(.ARCH == "amd64"))

.github/workflows/test.yaml

@@ -30,3 +30,13 @@ jobs:
       branch: ${{ inputs.branch }}
       date: ${{ inputs.date }}
       sha: ${{ inputs.sha }}
+  wheel-tests-pylibwholegraph:
+    secrets: inherit
+    uses: rapidsai/shared-action-workflows/.github/workflows/[email protected]
+    with:
+      build_type: nightly
+      branch: ${{ inputs.branch }}
+      date: ${{ inputs.date }}
+      sha: ${{ inputs.sha }}
+      script: ci/test_wheel.sh
+      matrix_filter: map(select(.ARCH == "amd64"))

ci/build_wheel.sh

@@ -0,0 +1,26 @@
+#!/bin/bash
+# Copyright (c) 2023, NVIDIA CORPORATION.
+
+source rapids-configure-sccache
+source rapids-date-string
+
+# Use gha-tools rapids-pip-wheel-version to generate wheel version then
+# update the necessary files
+version_override="$(rapids-pip-wheel-version ${RAPIDS_DATE_STRING})"
+
+RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
+
+ci/release/apply_wheel_modifications.sh ${version_override} "-${RAPIDS_PY_CUDA_SUFFIX}"
+echo "The package name and/or version was modified in the package source. The git diff is:"
+git diff
+
+cd python/pylibwholegraph
+
+# Hardcode the output dir
+SKBUILD_CONFIGURE_OPTIONS="-DDETECT_CONDA_ENV=OFF -DBUILD_SHARED_LIBS=OFF -DCMAKE_MESSAGE_LOG_LEVEL=VERBOSE -DCUDA_STATIC_RUNTIME=ON -DWHOLEGRAPH_BUILD_WHEELS=ON" \
+  python -m pip wheel . -w dist -vvv --no-deps --disable-pip-version-check
+
+mkdir -p final_dist
+python -m auditwheel repair --exclude libcuda.so.1 -w final_dist dist/*
+
+RAPIDS_PY_WHEEL_NAME="pylibwholegraph_${RAPIDS_PY_CUDA_SUFFIX}" rapids-upload-wheels-to-s3 final_dist

ci/test_wheel.sh

@@ -0,0 +1,35 @@
+#!/bin/bash
+# Copyright (c) 2022-2023, NVIDIA CORPORATION.
+
+set -e          # abort the script on error
+set -o pipefail # piped commands propagate their error
+set -E          # ERR traps are inherited by subcommands
+
+mkdir -p ./dist
+RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
+RAPIDS_PY_WHEEL_NAME="pylibwholegraph_${RAPIDS_PY_CUDA_SUFFIX}" rapids-download-wheels-from-s3 ./dist
+
+# echo to expand wildcard before adding `[extra]` requires for pip
+python -m pip install $(echo ./dist/pylibwholegraph*.whl)
+
+PKG_CUDA_VER="$(echo ${CUDA_VERSION} | cut -d '.' -f1,2 | tr -d '.')"
+PKG_CUDA_VER_MAJOR=${PKG_CUDA_VER:0:2}
+if [[ "${PKG_CUDA_VER_MAJOR}" == "12" ]]; then
+  INDEX_URL="https://download.pytorch.org/whl/nightly/cu121"
+else
+  INDEX_URL="https://download.pytorch.org/whl/cu${PKG_CUDA_VER}"
+fi
+RAPIDS_TESTS_DIR=${RAPIDS_TESTS_DIR:-"${PWD}/test-results"}
+RAPIDS_COVERAGE_DIR=${RAPIDS_COVERAGE_DIR:-"${PWD}/coverage-results"}
+mkdir -p "${RAPIDS_TESTS_DIR}" "${RAPIDS_COVERAGE_DIR}"
+
+rapids-logger "Installing PyTorch"
+rapids-retry python -m pip install --pre torch --index-url ${INDEX_URL}
+rapids-retry python -m pip install pytest pytest-forked numpy
+rapids-logger "pytest pylibwholegraph"
+PYLIBWHOLEGRAPH_INSTALL_PATH=`python -c 'import os; import pylibwholegraph; print(os.path.dirname(pylibwholegraph.__file__))'`
+PYTEST_PATH=${PYLIBWHOLEGRAPH_INSTALL_PATH}/tests
+python -m pytest \
+  --cache-clear \
+  --forked \
+  ${PYTEST_PATH}

conda/environments/all_cuda-115_arch-x86_64.yaml

@@ -0,0 +1,49 @@
+# This file is generated by `rapids-dependency-file-generator`.
+# To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
+channels:
+- rapidsai
+- rapidsai-nightly
+- pytorch
+- conda-forge
+- nvidia
+dependencies:
+- breathe
+- c-compiler
+- clang-tools=16.0.0
+- clangxx=16.0.0
+- cmake>=3.23.1,!=3.25.0
+- cuda-nvtx=11.5
+- cudatoolkit=11.5
+- cudnn=8.4
+- cxx-compiler
+- cython
+- doxygen=1.8.20
+- gcc_linux-64=11.*
+- gitpython
+- graphviz
+- ipykernel
+- ipython
+- libraft-headers==23.08.*
+- librmm==23.08.*
+- nanobind>=0.2.0
+- nbsphinx
+- nccl
+- ninja
+- numpy>=1.17
+- numpydoc
+- nvcc_linux-64=11.5
+- pre-commit
+- pydata-sphinx-theme
+- pytest
+- pytest-forked
+- pytest-xdist
+- python>=3.9,<3.11
+- pytorch=1.11.0=*cuda11.5*
+- recommonmark
+- scikit-build
+- sphinx-copybutton
+- sphinx-markdown-tables
+- sphinx<6
+- sphinxcontrib-websupport
+- sysroot_linux-64=2.17
+name: all_cuda-115_arch-x86_64

cpp/CMakeLists.txt

@@ -51,18 +51,27 @@ rapids_cmake_write_version_file(include/wholegraph/version_config.hpp)
 
 ##############################################################################
 # - User Options  ------------------------------------------------------------
+option(BUILD_SHARED_LIBS "Build libwholegraph shared libraries" ON)
 option(CMAKE_CUDA_LINEINFO "Enable the -lineinfo option for nvcc (useful for cuda-memcheck / profiler" OFF)
 option(BUILD_TESTS "Configure CMake to build tests" ON)
+option(CUDA_STATIC_RUNTIME "Statically link the CUDA toolkit runtime and libraries" OFF)
 
 ##############################################################################
 # - Set options based on user defined one  -----------------------------------
+set(_ctk_static_suffix "")
+if(CUDA_STATIC_RUNTIME)
+  set(_ctk_static_suffix "_static")
+endif()
 
 ##############################################################################
 # - Base rapids options ------------------------------------------------------
 # default build type
 #rapids_cmake_build_type(Release)
 rapids_cmake_build_type(RelWithDebInfo)
 
+# CUDA runtime
+rapids_cuda_init_runtime(USE_STATIC ${CUDA_STATIC_RUNTIME})
+
 message("CMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}")
 
 if(DETECT_CONDA_ENV)
@@ -135,7 +144,7 @@ file(GLOB WHOLEGRAPH_SOURCES
         "src/graph_ops/*.cu"
         "src/graph_ops/*.cpp")
 
-add_library(wholegraph SHARED "")
+add_library(wholegraph)
 add_library(wholegraph::wholegraph ALIAS wholegraph)
 
 target_sources(wholegraph PRIVATE ${WHOLEGRAPH_SOURCES})
@@ -180,7 +189,7 @@ target_include_directories(wholegraph
 target_link_libraries(wholegraph
 PUBLIC
     CUDA::cuda_driver
-    CUDA::cudart
+    CUDA::cudart${_ctk_static_suffix}
     raft::raft
 PRIVATE
     NCCL::NCCL

dependencies.yaml

@@ -45,6 +45,13 @@ files:
       - run
       - pytorch_cpu
       - clang_tools
+  py_build_pylibwholegraph:
+    output: pyproject
+    pyproject_dir: python/pylibwholegraph
+    extras:
+      table: build-system
+    includes:
+      - python_build_wheel
 channels:
   - rapidsai
   - rapidsai-nightly
@@ -270,3 +277,13 @@ dependencies:
           - clangxx=16.0.0
           - clang-tools=16.0.0
           - gitpython
+  python_build_wheel:
+    common:
+      - output_types: [pyproject]
+        packages:
+          - cmake>=3.26.4
+          - cython>=0.29,<0.30
+          - ninja
+          - setuptools
+          - scikit-build>=0.13.1
+          - wheel

python/pylibwholegraph/CMakeLists.txt

@@ -42,6 +42,7 @@ project(PYLIBWHOLEGRAPH VERSION ${WHOLEGRAPH_VERSION} LANGUAGES C CXX CUDA)
 # - User Options  ------------------------------------------------------------
 
 option(DETECT_CONDA_ENV "Enable detection of conda environment for dependencies" ON)
+option(WHOLEGRAPH_BUILD_WHEELS "Whether we're building a wheel for pypi" OFF)
 
 ##############################################################################
 # - Base Rapids Options  -----------------------------------------------------
@@ -117,6 +118,10 @@ find_package(wholegraph "${RAPIDS_VERSION}.0" EXACT)
 message("WholeGraph")
 if (WHOLEGRAPH_FOUND)
     message(STATUS "PYLIBWHOLEGRAPH: using pre-built wholegraph C++ package")
+elseif(WHOLEGRAPH_BUILD_WHEELS)
+    # statically link dependencies if building wheels
+    message(STATUS "PYLIBWHOLEGRAPH: build wheels")
+    add_subdirectory(../../cpp/ libwholegraph EXCLUDE_FROM_ALL)
 else()
     message(FATAL_ERROR "PYLIBWHOLEGRAPH: could not find wholegraph package in "
             "cmake prefix ${CMAKE_PREFIX_PATH} or user dir $ENV{LIBWHOLEGRAPH_DIR}")

python/pylibwholegraph/pyproject.toml

@@ -0,0 +1,43 @@
+# Copyright (c) 2023, NVIDIA CORPORATION.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+[build-system]
+requires = [
+    "cmake>=3.26.4",
+    "cython>=0.29,<0.30",
+    "ninja",
+    "scikit-build>=0.13.1",
+    "setuptools",
+    "wheel",
+] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
+
+[project]
+name = "pylibwholegraph"
+version = "23.08.00"
+description = "pylibwholegraph - GPU Graph Storage for GNN feature and graph structure"
+authors = [
+    { name = "NVIDIA Corporation" },
+]
+license = { text = "Apache 2.0" }
+requires-python = ">=3.6"
+classifiers = [
+    "Intended Audience :: Developers",
+    "Programming Language :: Python",
+    "Programming Language :: Python :: 3.6",
+    "Programming Language :: Python :: 3.7",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+]