Update Python build to scikit-build

.gitignore

@@ -30,6 +30,8 @@ log
 dask-worker-space/
 tmp/
 .hypothesis
+wheels/
+_skbuild/
 
 ## files pickled in notebook when ran during python docstring generation
 docs/source/*.model

build.sh

@@ -229,7 +229,6 @@ if (( ${CLEAN} == 1 )); then
     cd ${REPODIR}
 fi
 
-# Before
 
 ################################################################################
 # Configure for building all C++ targets
@@ -283,11 +282,16 @@ fi
 
 # Build and (optionally) install the cuml Python package
 if completeBuild || hasArg cuml || hasArg pydocs; then
+    # Append `-DFIND_CUML_CPP=ON` to CUML_EXTRA_CMAKE_ARGS unless a user specified the option.
+    if [[ "${CUML_EXTRA_CMAKE_ARGS}" != *"DFIND_CUML_CPP"* ]]; then
+        CUML_EXTRA_CMAKE_ARGS="${CUML_EXTRA_CMAKE_ARGS} -DFIND_CUML_CPP=ON"
+    fi
+
     cd ${REPODIR}/python
+
+    python setup.py build_ext --inplace -- -DCMAKE_LIBRARY_PATH=${LIBCUML_BUILD_DIR} -DCMAKE_MESSAGE_LOG_LEVEL=${CMAKE_LOG_LEVEL} ${CUML_EXTRA_CMAKE_ARGS} -- -j${PARALLEL_LEVEL:-1}
     if [[ ${INSTALL_TARGET} != "" ]]; then
-        python setup.py build_ext -j${PARALLEL_LEVEL:-1} ${CUML_EXTRA_PYTHON_ARGS} --library-dir=${LIBCUML_BUILD_DIR} install --single-version-externally-managed --record=record.txt
-    else
-        python setup.py build_ext -j${PARALLEL_LEVEL:-1} ${CUML_EXTRA_PYTHON_ARGS} --library-dir=${LIBCUML_BUILD_DIR}
+        python setup.py install --single-version-externally-managed --record=record.txt  -- -DCMAKE_LIBRARY_PATH=${LIBCUML_BUILD_DIR} -DCMAKE_MESSAGE_LOG_LEVEL=${CMAKE_LOG_LEVEL} ${CUML_EXTRA_CMAKE_ARGS} -- -j${PARALLEL_LEVEL:-1}
     fi
 
     if hasArg pydocs; then

ci/gpu/build.sh

@@ -191,8 +191,8 @@ else
     gpuci_logger "Building and installing cuml"
     export CONDA_BLD_DIR="$WORKSPACE/.conda-bld"
     export VERSION_SUFFIX=""
-    gpuci_conda_retry mambabuild --no-build-id --croot ${CONDA_BLD_DIR} conda/recipes/cuml -c ${CONDA_ARTIFACT_PATH} --python=${PYTHON}
-    gpuci_mamba_retry install -c ${CONDA_ARTIFACT_PATH} -c ${CONDA_BLD_DIR} cuml
+    gpuci_conda_retry mambabuild --croot ${CONDA_BLD_DIR} conda/recipes/cuml -c ${CONDA_ARTIFACT_PATH} --python=${PYTHON}
+    gpuci_mamba_retry install cuml -c "${CONDA_BLD_DIR}" -c "${CONDA_ARTIFACT_PATH}"
 
     gpuci_logger "Install the main version of dask, distributed, and dask-glm"
     set -x

ci/release/update-version.sh

@@ -32,7 +32,10 @@ function sed_runner() {
 }
 
 sed_runner 's/'"CUML VERSION .* LANGUAGES"'/'"CUML VERSION ${NEXT_FULL_TAG} LANGUAGES"'/g' cpp/CMakeLists.txt
-sed_runner 's/'"branch-.*\/RAPIDS.cmake"'/'"branch-${NEXT_SHORT_TAG}\/RAPIDS.cmake"'/g' cpp/CMakeLists.txt
+sed_runner 's/'"set(CUML_VERSION .*)"'/'"set(CUML_VERSION ${NEXT_FULL_TAG})"'/g' python/CMakeLists.txt
+# rapids-cmake version
+sed_runner 's/'"branch-.*\/RAPIDS.cmake"'/'"branch-${NEXT_SHORT_TAG}\/RAPIDS.cmake"'/g' fetch_rapids.cmake
+
 
 # RTD update
 sed_runner 's/version = .*/version = '"'${NEXT_SHORT_TAG}'"'/g' docs/source/conf.py

conda/environments/cuml_dev_cuda11.0.yml

@@ -10,6 +10,7 @@ dependencies:
 - rapids-build-env=22.08.*
 - rapids-notebook-env=22.08.*
 - rapids-doc-env=22.08.*
+- scikit-build>=0.13.1
 - cudf=22.08.*
 - rmm=22.08.*
 - libcumlprims=22.08.*

conda/environments/cuml_dev_cuda11.2.yml

@@ -10,6 +10,7 @@ dependencies:
 - rapids-build-env=22.08.*
 - rapids-notebook-env=22.08.*
 - rapids-doc-env=22.08.*
+- scikit-build>=0.13.1
 - cudf=22.08.*
 - rmm=22.08.*
 - libcumlprims=22.08.*

conda/environments/cuml_dev_cuda11.4.yml

@@ -10,6 +10,7 @@ dependencies:
 - rapids-build-env=22.08.*
 - rapids-notebook-env=22.08.*
 - rapids-doc-env=22.08.*
+- scikit-build>=0.13.1
 - cudf=22.08.*
 - rmm=22.08.*
 - libcumlprims=22.08.*

conda/environments/cuml_dev_cuda11.5.yml

@@ -10,6 +10,7 @@ dependencies:
 - rapids-build-env=22.08.*
 - rapids-notebook-env=22.08.*
 - rapids-doc-env=22.08.*
+- scikit-build>=0.13.1
 - cudf=22.08.*
 - rmm=22.08.*
 - libcumlprims=22.08.*

conda/recipes/cuml/build.sh

@@ -1,4 +1,5 @@
 #!/usr/bin/env bash
+# Copyright (c) 2018-2022, NVIDIA CORPORATION.
 
 # This assumes the script is executed from the root of the repo directory
-./build.sh cuml
+./build.sh cuml -v

conda/recipes/cuml/conda_build_config.yaml

@@ -7,5 +7,8 @@ cxx_compiler_version:
 cuda_compiler:
   - nvcc
 
+cmake_version:
+  - ">=3.20.1,!=3.23.0"
+
 sysroot_version:
   - "2.17"

conda/recipes/cuml/meta.yaml

@@ -26,14 +26,15 @@ build:
 
 requirements:
   build:
-    - cmake>=3.20.1,!=3.23.0
+    - cmake {{ cmake_version }}
     - {{ compiler('c') }}
     - {{ compiler('cxx') }}
     - {{ compiler('cuda') }} {{ cuda_version }}
     - sysroot_{{ target_platform }} {{ sysroot_version }}
   host:
     - python x.x
     - setuptools
+    - scikit-build>=0.13.1
     - cython>=0.29,<0.30
     - treelite=2.4.0
     - cudf {{ minor_version }}

conda/recipes/libcuml/build.sh

@@ -7,4 +7,4 @@ if [ -n "$MACOSX_DEPLOYMENT_TARGET" ]; then
     export MACOSX_DEPLOYMENT_TARGET=10.11
 fi
 
-./build.sh -n clean libcuml prims -v --allgpuarch
+./build.sh -n libcuml prims -v --allgpuarch

cpp/CMakeLists.txt

@@ -15,9 +15,9 @@
 #=============================================================================
 
 cmake_minimum_required(VERSION 3.20.1 FATAL_ERROR)
-file(DOWNLOAD https://raw.githubusercontent.com/rapidsai/rapids-cmake/branch-22.08/RAPIDS.cmake
-    ${CMAKE_BINARY_DIR}/RAPIDS.cmake)
-include(${CMAKE_BINARY_DIR}/RAPIDS.cmake)
+
+include(../fetch_rapids.cmake)
+
 include(rapids-cmake)
 include(rapids-cpm)
 include(rapids-cuda)
@@ -72,36 +72,36 @@ option(CUML_USE_RAFT_STATIC "Build and statically link the RAFT libraries" OFF)
 option(CUML_USE_FAISS_STATIC "Build and statically link the FAISS library for nearest neighbors search on GPU" OFF)
 option(CUML_USE_TREELITE_STATIC "Build and statically link the treelite library" OFF)
 
-message(VERBOSE "CUML: Building libcuml_c shared library. Contains the cuML C API: ${BUILD_CUML_C_LIBRARY}")
-message(VERBOSE "CUML: Building libcuml shared library: ${BUILD_CUML_CPP_LIBRARY}")
-message(VERBOSE "CUML: Building cuML algorithm tests: ${BUILD_CUML_TESTS}")
-message(VERBOSE "CUML: Building cuML multigpu algorithm tests: ${BUILD_CUML_MG_TESTS}")
-message(VERBOSE "CUML: Building ml-prims tests: ${BUILD_PRIMS_TESTS}")
-message(VERBOSE "CUML: Building C++ API usage examples: ${BUILD_CUML_EXAMPLES}")
-message(VERBOSE "CUML: Building cuML C++ benchmark tests: ${BUILD_CUML_BENCH}")
-message(VERBOSE "CUML: Building ml-prims C++ benchmark tests: ${BUILD_CUML_PRIMS_BENCH}")
-message(VERBOSE "CUML: Building the standard NCCL+UCX Communicator: ${BUILD_CUML_STD_COMMS}")
-message(VERBOSE "CUML: Building the MPI+NCCL Communicator (used for testing): ${BUILD_CUML_MPI_COMMS}")
-message(VERBOSE "CUML: Enabling detection of conda environment for dependencies: ${DETECT_CONDA_ENV}")
-message(VERBOSE "CUML: Disabling OpenMP: ${DISABLE_OPENMP}")
-message(VERBOSE "CUML: Enabling algorithms that use libcumlprims_mg: ${ENABLE_CUMLPRIMS_MG}")
-message(VERBOSE "CUML: Enabling kernel resource usage info: ${KERNEL_INFO}")
-message(VERBOSE "CUML: Enabling kernelinfo in nvcc: ${CUDA_ENABLE_KERNEL_INFO}")
-message(VERBOSE "CUML: Enabling lineinfo in nvcc: ${CUDA_ENABLE_LINE_INFO}")
-message(VERBOSE "CUML: Enabling nvtx markers: ${NVTX}")
-message(VERBOSE "CUML: Disabling all mnmg components and comms libraries: ${SINGLEGPU}")
-message(VERBOSE "CUML: Cache build artifacts with ccache: ${USE_CCACHE}")
-message(VERBOSE "CUML: Build and statically link RAFT libraries: ${CUML_USE_RAFT_STATIC}")
-message(VERBOSE "CUML: Build and statically link FAISS library: ${CUML_USE_FAISS_STATIC}")
-message(VERBOSE "CUML: Build and statically link Treelite library: ${CUML_USE_TREELITE_STATIC}")
+message(VERBOSE "CUML_CPP: Building libcuml_c shared library. Contains the cuML C API: ${BUILD_CUML_C_LIBRARY}")
+message(VERBOSE "CUML_CPP: Building libcuml shared library: ${BUILD_CUML_CPP_LIBRARY}")
+message(VERBOSE "CUML_CPP: Building cuML algorithm tests: ${BUILD_CUML_TESTS}")
+message(VERBOSE "CUML_CPP: Building cuML multigpu algorithm tests: ${BUILD_CUML_MG_TESTS}")
+message(VERBOSE "CUML_CPP: Building ml-prims tests: ${BUILD_PRIMS_TESTS}")
+message(VERBOSE "CUML_CPP: Building C++ API usage examples: ${BUILD_CUML_EXAMPLES}")
+message(VERBOSE "CUML_CPP: Building cuML C++ benchmark tests: ${BUILD_CUML_BENCH}")
+message(VERBOSE "CUML_CPP: Building ml-prims C++ benchmark tests: ${BUILD_CUML_PRIMS_BENCH}")
+message(VERBOSE "CUML_CPP: Building the standard NCCL+UCX Communicator: ${BUILD_CUML_STD_COMMS}")
+message(VERBOSE "CUML_CPP: Building the MPI+NCCL Communicator (used for testing): ${BUILD_CUML_MPI_COMMS}")
+message(VERBOSE "CUML_CPP: Enabling detection of conda environment for dependencies: ${DETECT_CONDA_ENV}")
+message(VERBOSE "CUML_CPP: Disabling OpenMP: ${DISABLE_OPENMP}")
+message(VERBOSE "CUML_CPP: Enabling algorithms that use libcumlprims_mg: ${ENABLE_CUMLPRIMS_MG}")
+message(VERBOSE "CUML_CPP: Enabling kernel resource usage info: ${KERNEL_INFO}")
+message(VERBOSE "CUML_CPP: Enabling kernelinfo in nvcc: ${CUDA_ENABLE_KERNEL_INFO}")
+message(VERBOSE "CUML_CPP: Enabling lineinfo in nvcc: ${CUDA_ENABLE_LINE_INFO}")
+message(VERBOSE "CUML_CPP: Enabling nvtx markers: ${NVTX}")
+message(VERBOSE "CUML_CPP: Disabling all mnmg components and comms libraries: ${SINGLEGPU}")
+message(VERBOSE "CUML_CPP: Cache build artifacts with ccache: ${USE_CCACHE}")
+message(VERBOSE "CUML_CPP: Build and statically link RAFT libraries: ${CUML_USE_RAFT_STATIC}")
+message(VERBOSE "CUML_CPP: Build and statically link FAISS library: ${CUML_USE_FAISS_STATIC}")
+message(VERBOSE "CUML_CPP: Build and statically link Treelite library: ${CUML_USE_TREELITE_STATIC}")
 
 set(CUML_ALGORITHMS "ALL" CACHE STRING "Experimental: Choose which algorithms are built into libcuml++.so. Can specify individual algorithms or groups in a semicolon-separated list.")
-message(VERBOSE "CUML: Building libcuml++ with algoriths: '${CUML_ALGORITHMS}'.")
+message(VERBOSE "CUML_CPP: Building libcuml++ with algoriths: '${CUML_ALGORITHMS}'.")
 
 # Set RMM logging level
 set(RMM_LOGGING_LEVEL "INFO" CACHE STRING "Choose the logging level.")
 set_property(CACHE RMM_LOGGING_LEVEL PROPERTY STRINGS "TRACE" "DEBUG" "INFO" "WARN" "ERROR" "CRITICAL" "OFF")
-message(VERBOSE "CUML: RMM_LOGGING_LEVEL = '${RMM_LOGGING_LEVEL}'.")
+message(VERBOSE "CUML_CPP: RMM_LOGGING_LEVEL = '${RMM_LOGGING_LEVEL}'.")
 
 ##############################################################################
 # - Target names -------------------------------------------------------------
@@ -121,7 +121,7 @@ set(PRIMS_BENCH_TARGET "prims_benchmark")
 if(DETECT_CONDA_ENV)
   rapids_cmake_support_conda_env( conda_env MODIFY_PREFIX_PATH )
   if (CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT AND DEFINED ENV{CONDA_PREFIX})
-      message(STATUS "CUML: No CMAKE_INSTALL_PREFIX argument detected, setting to: $ENV{CONDA_PREFIX}")
+      message(STATUS "CUML_CPP: No CMAKE_INSTALL_PREFIX argument detected, setting to: $ENV{CONDA_PREFIX}")
       set(CMAKE_INSTALL_PREFIX "$ENV{CONDA_PREFIX}")
   endif()
 endif()
@@ -132,7 +132,7 @@ endif()
 if (NOT DISABLE_OPENMP)
   find_package(OpenMP)
   if(OpenMP_FOUND)
-    message(STATUS "CUML: OpenMP found in ${OPENMP_INCLUDE_DIRS}")
+    message(STATUS "CUML_CPP: OpenMP found in ${OPENMP_INCLUDE_DIRS}")
   endif()
 endif()
 
@@ -170,8 +170,8 @@ endif()
 
 # SingleGPU build disables cumlprims_mg and comms components
 if(SINGLEGPU)
-  message(STATUS "Detected SINGLEGPU build option")
-  message(STATUS "Disabling Multi-GPU components and comms libraries")
+  message(STATUS "CUML_CPP: Detected SINGLEGPU build option")
+  message(STATUS "CUML_CPP: Disabling Multi-GPU components and comms libraries")
   set(BUILD_CUML_MG_TESTS OFF)
   set(BUILD_CUML_STD_COMMS OFF)
   set(BUILD_CUML_MPI_COMMS OFF)
@@ -180,7 +180,7 @@ if(SINGLEGPU)
 endif()
 
 if(BUILD_CUML_MG_TESTS AND NOT SINGLEGPU)
-  message(STATUS "Detected BUILD_CUML_MG_TESTS set to ON. Enabling BUILD_CUML_MPI_COMMS")
+  message(STATUS "CUML_CPP: Detected BUILD_CUML_MG_TESTS set to ON. Enabling BUILD_CUML_MPI_COMMS")
   set(BUILD_CUML_MPI_COMMS ON)
 endif()
 

fetch_rapids.cmake

@@ -0,0 +1,17 @@
+# =============================================================================
+# Copyright (c) 2022, 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.
+# =============================================================================
+file(DOWNLOAD https://raw.githubusercontent.com/rapidsai/rapids-cmake/branch-22.08/RAPIDS.cmake
+     ${CMAKE_BINARY_DIR}/RAPIDS.cmake
+)
+include(${CMAKE_BINARY_DIR}/RAPIDS.cmake)

python/CMakeLists.txt

@@ -0,0 +1,134 @@
+# =============================================================================
+# Copyright (c) 2022, 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.
+# =============================================================================
+
+cmake_minimum_required(VERSION 3.20.1 FATAL_ERROR)
+
+include(../fetch_rapids.cmake)
+
+set(CUML_VERSION 22.08.00)
+
+project(
+  cuml-python
+  VERSION ${CUML_VERSION}
+  LANGUAGES # TODO: Building Python extension modules via the python_extension_module requires the C
+            # language to be enabled here. The test project that is built in scikit-build to verify
+            # various linking options for the python library is hardcoded to build with C, so until
+            # that is fixed we need to keep C.
+            C CXX
+)
+
+################################################################################
+# - User Options  --------------------------------------------------------------
+option(FIND_CUML_CPP "Search for existing CUML C++ installations before defaulting to local files" OFF)
+option(SINGLEGPU "Disable all mnmg components and comms libraries" OFF)
+
+# todo: use CMAKE_MESSAGE_CONTEXT for prefix for logging.
+# https://github.com/rapidsai/cuml/issues/4843
+message(VERBOSE "CUML_PY: Searching for existing CUML C++ installations before defaulting to local files: ${FIND_CUML_CPP}")
+message(VERBOSE "CUML_PY: Disabling all mnmg components and comms libraries: ${SINGLEGPU}")
+
+set(CUML_CPP_TARGET "cuml++")
+
+################################################################################
+# - Process User Options  ------------------------------------------------------
+
+
+# If the user requested it,  we attempt to find cuml.
+if(FIND_CUML_CPP)
+  include(rapids-cpm)
+  rapids_cpm_init()
+  include(rapids-cuda)
+  rapids_cuda_init_architectures(cuml-python)
+  enable_language(CUDA)
+
+  # variables used by get_raft.cmake, we can get rid of them when this is solved:
+  # https://github.com/rapidsai/rapids-cmake/issues/228
+  set(CUML_VERSION_MAJOR "${cuml-python_VERSION_MAJOR}")
+  set(CUML_VERSION_MINOR "${cuml-python_VERSION_MINOR}")
+  set(CUML_USE_RAFT_NN ON)
+  set(CUML_USE_RAFT_DIST ON)
+
+  # We need to call get_raft due to cuML asking for raft::nn and
+  # raft::distance targets
+  # see issue https://github.com/rapidsai/cuml/issues/4843
+  include(../cpp/cmake/thirdparty/get_raft.cmake)
+
+  # We need to call get_treelite explicitly because we need the correct
+  # ${TREELITE_LIBS} definition for RF
+  include(../cpp/cmake/thirdparty/get_treelite.cmake)
+  find_package(cuml ${CUML_VERSION} REQUIRED)
+
+else()
+  set(cuml_FOUND OFF)
+endif()
+
+
+if(NOT cuml_FOUND)
+  # TODO: This will not be necessary once we upgrade to CMake 3.22, which will pull in the required
+  # languages for the C++ project even if this project does not require those languges.
+  include(rapids-cuda)
+  rapids_cuda_init_architectures(cuml-python)
+  enable_language(CUDA)
+
+  # Since cuml only enables CUDA optionally, we need to manually include the file that
+  # rapids_cuda_init_architectures relies on `project` including.
+  include("${CMAKE_PROJECT_cuml-python_INCLUDE}")
+
+  set(BUILD_CUML_TESTS OFF)
+  set(BUILD_PRIMS_TESTS OFF)
+  set(BUILD_CUML_C_LIBRARY OFF)
+  set(BUILD_CUML_EXAMPLES OFF)
+  set(BUILD_CUML_BENCH OFF)
+  set(BUILD_CUML_PRIMS_BENCH OFF)
+  message(STATUS "installing packages")
+  add_subdirectory(../cpp cuml-cpp)
+
+  install(TARGETS ${CUML_CPP_TARGET} DESTINATION cuml/library)
+endif()
+
+set(cuml_sg_libraries cuml::${CUML_CPP_TARGET})
+
+if(NOT SINGLEGPU)
+  include(../cpp/cmake/thirdparty/get_cumlprims_mg.cmake)
+  set(cuml_mg_libraries
+    cuml::${CUML_CPP_TARGET}
+    cumlprims_mg::cumlprims_mg
+  )
+endif()
+
+include(rapids-cython)
+rapids_cython_init()
+
+add_subdirectory(cuml/common)
+add_subdirectory(cuml/internals)
+
+add_subdirectory(cuml/cluster)
+add_subdirectory(cuml/datasets)
+add_subdirectory(cuml/decomposition)
+add_subdirectory(cuml/ensemble)
+add_subdirectory(cuml/explainer)
+add_subdirectory(cuml/fil)
+add_subdirectory(cuml/kernel_ridge)
+add_subdirectory(cuml/linear_model)
+add_subdirectory(cuml/manifold)
+add_subdirectory(cuml/metrics)
+add_subdirectory(cuml/metrics/cluster)
+add_subdirectory(cuml/neighbors)
+add_subdirectory(cuml/random_projection)
+add_subdirectory(cuml/solvers)
+add_subdirectory(cuml/svm)
+add_subdirectory(cuml/tsa)
+
+add_subdirectory(cuml/experimental/linear_model)
+