Merge branch 'branch-25.02' into kmeans-auto-2

.devcontainer/cuda11.8-pip/devcontainer.json

@@ -5,7 +5,7 @@
     "args": {
       "CUDA": "11.8",
       "PYTHON_PACKAGE_MANAGER": "pip",
-      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda11.8-ucx1.17.0-openmpi-ubuntu22.04"
+      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda11.8-ucx1.18.0-openmpi-ubuntu22.04"
     }
   },
   "runArgs": [

.devcontainer/cuda12.5-pip/devcontainer.json

@@ -5,7 +5,7 @@
     "args": {
       "CUDA": "12.5",
       "PYTHON_PACKAGE_MANAGER": "pip",
-      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda12.5-ucx1.17.0-openmpi-ubuntu22.04"
+      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda12.5-ucx1.18.0-openmpi-ubuntu22.04"
     }
   },
   "runArgs": [

.github/CODEOWNERS

@@ -5,11 +5,9 @@ cpp/               @rapidsai/cuml-cpp-codeowners
 python/            @rapidsai/cuml-python-codeowners
 
 #cmake code owners
-**/CMakeLists.txt          @rapidsai/cuml-cmake-codeowners
-**/cmake/                  @rapidsai/cuml-cmake-codeowners
-python/cuml/pyproject.toml @rapidsai/cuml-cmake-codeowners
-build.sh                   @rapidsai/cuml-cmake-codeowners
-**/build.sh                @rapidsai/cuml-cmake-codeowners
+CMakeLists.txt @rapidsai/cuml-cmake-codeowners
+*.cmake        @rapidsai/cuml-cmake-codeowners
+**/cmake/      @rapidsai/cuml-cmake-codeowners
 
 #CI code owners
 /.github/                @rapidsai/ci-codeowners

.github/labeler.yml

@@ -5,7 +5,7 @@
 Cython / Python:
   - 'python/**'
   - 'notebooks/**'
-  
+
 CUDA/C++:
   - 'cpp/**'
 
@@ -18,4 +18,3 @@ ci:
 
 conda:
   - 'conda/**'
-

.github/workflows/build.yaml

@@ -66,21 +66,44 @@ jobs:
       branch: ${{ inputs.branch }}
       date: ${{ inputs.date }}
       sha: ${{ inputs.sha }}
-  wheel-build-cuml:
+  wheel-build-libcuml:
     secrets: inherit
     uses: rapidsai/shared-workflows/.github/workflows/[email protected]
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
       sha: ${{ inputs.sha }}
       date: ${{ inputs.date }}
-      script: ci/build_wheel.sh
+      script: ci/build_wheel_libcuml.sh
       # Note that this approach to cloning repos obviates any modification to
       # the CMake variables in get_cumlprims_mg.cmake since CMake will just use
       # the clone as is.
       extra-repo: rapidsai/cumlprims_mg
       extra-repo-sha: branch-25.02
       extra-repo-deploy-key: CUMLPRIMS_SSH_PRIVATE_DEPLOY_KEY
+      # build for every combination of arch and CUDA version, but only for the latest Python
+      matrix_filter: group_by([.ARCH, (.CUDA_VER|split(".")|map(tonumber)|.[0])]) | map(max_by(.PY_VER|split(".")|map(tonumber)))
+  wheel-publish-libcuml:
+    needs: wheel-build-libcuml
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: ${{ inputs.build_type || 'branch' }}
+      branch: ${{ inputs.branch }}
+      sha: ${{ inputs.sha }}
+      date: ${{ inputs.date }}
+      package-name: libcuml
+      package-type: cpp
+  wheel-build-cuml:
+    needs: wheel-build-libcuml
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: ${{ inputs.build_type || 'branch' }}
+      branch: ${{ inputs.branch }}
+      sha: ${{ inputs.sha }}
+      date: ${{ inputs.date }}
+      script: ci/build_wheel_cuml.sh
   wheel-publish-cuml:
     needs: wheel-build-cuml
     secrets: inherit
@@ -91,3 +114,4 @@ jobs:
       sha: ${{ inputs.sha }}
       date: ${{ inputs.date }}
       package-name: cuml
+      package-type: python

.github/workflows/pr.yaml

@@ -25,6 +25,7 @@ jobs:
       - conda-notebook-tests
       - docs-build
       - telemetry-setup
+      - wheel-build-libcuml
       - wheel-build-cuml
       - wheel-tests-cuml
       - devcontainer
@@ -166,16 +167,28 @@ jobs:
       arch: "amd64"
       container_image: "rapidsai/ci-conda:latest"
       run_script: "ci/build_docs.sh"
-  wheel-build-cuml:
+  wheel-build-libcuml:
     needs: checks
     secrets: inherit
     uses: rapidsai/shared-workflows/.github/workflows/[email protected]
     with:
       build_type: pull-request
-      script: ci/build_wheel.sh
+      branch: ${{ inputs.branch }}
+      sha: ${{ inputs.sha }}
+      date: ${{ inputs.date }}
+      script: ci/build_wheel_libcuml.sh
       extra-repo: rapidsai/cumlprims_mg
       extra-repo-sha: branch-25.02
       extra-repo-deploy-key: CUMLPRIMS_SSH_PRIVATE_DEPLOY_KEY
+      # build for every combination of arch and CUDA version, but only for the latest Python
+      matrix_filter: group_by([.ARCH, (.CUDA_VER|split(".")|map(tonumber)|.[0])]) | map(max_by(.PY_VER|split(".")|map(tonumber)))
+  wheel-build-cuml:
+    needs: [checks, wheel-build-libcuml]
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/build_wheel_cuml.sh
   wheel-tests-cuml:
     needs: [wheel-build-cuml, changed-files]
     secrets: inherit

.gitignore

@@ -68,3 +68,8 @@ cpp/Doxyfile
 # clang tooling
 compile_commands.json
 .clangd/
+
+# generally prefer 'pyproject.toml' to 'pytest.ini' for pytest options
+# ref: https://github.com/rapidsai/cuml/pull/6201
+pytest.ini
+!python/cuml/cuml/benchmark/automated/pytest.ini

.pre-commit-config.yaml

@@ -1,7 +1,12 @@
 ---
-# Copyright (c) 2023, NVIDIA CORPORATION.
+# Copyright (c) 2023-2025, NVIDIA CORPORATION.
 
 repos:
+    - repo: https://github.com/pre-commit/pre-commit-hooks
+      rev: v5.0.0
+      hooks:
+          - id: trailing-whitespace
+          - id: end-of-file-fixer
     - repo: https://github.com/psf/black
       rev: 22.10.0
       hooks:
@@ -69,15 +74,14 @@ repos:
                 CMakeLists[.]txt$|
                 CMakeLists_standalone[.]txt$|
                 [.]flake8[.]cython$|
-                meta[.]yaml$|
-                setup[.]cfg$
+                meta[.]yaml$
           exclude: |
             (?x)
                 cpp/src/tsne/cannylab/bh[.]cu$|
                 python/cuml/cuml/_thirdparty
         - id: verify-alpha-spec
     - repo: https://github.com/rapidsai/dependency-file-generator
-      rev: v1.16.0
+      rev: v1.17.0
       hooks:
           - id: rapids-dependency-file-generator
             args: ["--clean"]

BUILD.md

@@ -234,7 +234,6 @@ cuML's cmake has the following configurable flags available:
 | BUILD_PRIMS_TESTS | [ON, OFF]  | ON  | Enable/disable building cuML algorithm test executable `prims_test`.  |
 | BUILD_CUML_EXAMPLES | [ON, OFF]  | ON  | Enable/disable building cuML C++ API usage examples.  |
 | BUILD_CUML_BENCH | [ON, OFF] | ON | Enable/disable building of cuML C++ benchark.  |
-| BUILD_CUML_PRIMS_BENCH | [ON, OFF] | ON | Enable/disable building of ml-prims C++ benchark.  |
 | CMAKE_CXX11_ABI | [ON, OFF]  | ON  | Enable/disable the GLIBCXX11 ABI  |
 | DETECT_CONDA_ENV | [ON, OFF] | ON | Use detection of conda environment for dependencies. If set to ON, and no value for CMAKE_INSTALL_PREFIX is passed, then it'll assign it to $CONDA_PREFIX (to install in the active environment).  |
 | DISABLE_OPENMP | [ON, OFF]  | OFF  | Set to `ON` to disable OpenMP  |

LICENSE

@@ -187,7 +187,7 @@
       identification within third-party archives.
 
    Copyright 2018 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

build.sh

@@ -1,6 +1,6 @@
 #!/bin/bash
 
-# Copyright (c) 2019-2024, NVIDIA CORPORATION.
+# Copyright (c) 2019-2025, NVIDIA CORPORATION.
 
 # cuml build script
 
@@ -288,11 +288,6 @@ if (! hasArg --configure-only) && (completeBuild || hasArg cuml || hasArg pydocs
     # Replace spaces with semicolons in SKBUILD_EXTRA_CMAKE_ARGS
     SKBUILD_EXTRA_CMAKE_ARGS=$(echo ${SKBUILD_EXTRA_CMAKE_ARGS} | sed 's/ /;/g')
 
-    # Append `-DFIND_CUML_CPP=ON` to CUML_EXTRA_CMAKE_ARGS unless a user specified the option.
-    if [[ "${SKBUILD_EXTRA_CMAKE_ARGS}" != *"DFIND_CUML_CPP"* ]]; then
-        SKBUILD_EXTRA_CMAKE_ARGS="${SKBUILD_EXTRA_CMAKE_ARGS};-DFIND_CUML_CPP=ON"
-    fi
-
     SKBUILD_CMAKE_ARGS="-DCMAKE_MESSAGE_LOG_LEVEL=${CMAKE_LOG_LEVEL};${SKBUILD_EXTRA_CMAKE_ARGS}" \
         python -m pip install --no-build-isolation --no-deps --config-settings rapidsai.disable-cuda=true ${REPODIR}/python/cuml
 

ci/build_wheel.sh

@@ -1,59 +1,26 @@
 #!/bin/bash
-# Copyright (c) 2023-2024, NVIDIA CORPORATION.
+# Copyright (c) 2023-2025, NVIDIA CORPORATION.
 
 set -euo pipefail
 
-package_dir="python/cuml"
+package_name=$1
+package_dir=$2
 
 source rapids-configure-sccache
 source rapids-date-string
 
-RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
-
-# This is the version of the suffix with a preceding hyphen. It's used
-# everywhere except in the final wheel name.
-PACKAGE_CUDA_SUFFIX="-${RAPIDS_PY_CUDA_SUFFIX}"
-
 rapids-generate-version > ./VERSION
 
-cd ${package_dir}
-
-case "${RAPIDS_CUDA_VERSION}" in
-  12.*)
-    EXCLUDE_ARGS=(
-      --exclude "libcuvs.so"
-      --exclude "libcublas.so.12"
-      --exclude "libcublasLt.so.12"
-      --exclude "libcufft.so.11"
-      --exclude "libcurand.so.10"
-      --exclude "libcusolver.so.11"
-      --exclude "libcusparse.so.12"
-      --exclude "libnvJitLink.so.12"
-    )
-    EXTRA_CMAKE_ARGS=";-DUSE_CUDA_MATH_WHEELS=ON"
-    ;;
-  11.*)
-    EXCLUDE_ARGS=(
-      --exclude "libcuvs.so"
-    )
-    EXTRA_CMAKE_ARGS=";-DUSE_CUDA_MATH_WHEELS=OFF"
-    ;;
-esac
+cd "${package_dir}"
 
 sccache --zero-stats
 
-SKBUILD_CMAKE_ARGS="-DDETECT_CONDA_ENV=OFF;-DDISABLE_DEPRECATION_WARNINGS=ON;-DCPM_cumlprims_mg_SOURCE=${GITHUB_WORKSPACE}/cumlprims_mg/;-DUSE_CUVS_WHEEL=ON${EXTRA_CMAKE_ARGS}" \
-  python -m pip wheel . \
+rapids-logger "Building '${package_name}' wheel"
+python -m pip wheel \
     -w dist \
     -v \
     --no-deps \
-    --disable-pip-version-check
+    --disable-pip-version-check \
+    .
 
 sccache --show-adv-stats
-
-mkdir -p final_dist
-python -m auditwheel repair -w final_dist "${EXCLUDE_ARGS[@]}" dist/*
-
-../../ci/validate_wheel.sh final_dist
-
-RAPIDS_PY_WHEEL_NAME="cuml_${RAPIDS_PY_CUDA_SUFFIX}" rapids-upload-wheels-to-s3 python final_dist

ci/build_wheel_cuml.sh

@@ -0,0 +1,42 @@
+#!/bin/bash
+# Copyright (c) 2023-2025, NVIDIA CORPORATION.
+
+set -euo pipefail
+
+package_name="cuml"
+package_dir="python/cuml"
+
+RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
+
+# Download the libcuml wheel built in the previous step and make it
+# available for pip to find.
+RAPIDS_PY_WHEEL_NAME="libcuml_${RAPIDS_PY_CUDA_SUFFIX}" rapids-download-wheels-from-s3 cpp /tmp/libcuml_dist
+echo "libcuml-${RAPIDS_PY_CUDA_SUFFIX} @ file://$(echo /tmp/libcuml_dist/libcuml_*.whl)" >> /tmp/constraints.txt
+export PIP_CONSTRAINT="/tmp/constraints.txt"
+
+EXCLUDE_ARGS=(
+  --exclude "libcuml++.so"
+  --exclude "libcumlprims_mg.so"
+  --exclude "libcuvs.so"
+  --exclude "libraft.so"
+  --exclude "libcublas.so.*"
+  --exclude "libcublasLt.so.*"
+  --exclude "libcufft.so.*"
+  --exclude "libcurand.so.*"
+  --exclude "libcusolver.so.*"
+  --exclude "libcusparse.so.*"
+  --exclude "libnvJitLink.so.*"
+)
+
+export SKBUILD_CMAKE_ARGS="-DDISABLE_DEPRECATION_WARNINGS=ON;-DSINGLEGPU=OFF;-DUSE_LIBCUML_WHEEL=ON"
+./ci/build_wheel.sh "${package_name}" "${package_dir}"
+
+mkdir -p ${package_dir}/final_dist
+python -m auditwheel repair \
+    "${EXCLUDE_ARGS[@]}" \
+    -w ${package_dir}/final_dist \
+    ${package_dir}/dist/*
+
+./ci/validate_wheel.sh ${package_dir} final_dist
+
+RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" rapids-upload-wheels-to-s3 python "${package_dir}/final_dist"

ci/build_wheel_libcuml.sh

@@ -0,0 +1,56 @@
+#!/bin/bash
+# Copyright (c) 2025, NVIDIA CORPORATION.
+
+set -euo pipefail
+
+package_name="libcuml"
+package_dir="python/libcuml"
+
+RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
+
+rapids-logger "Generating build requirements"
+
+rapids-dependency-file-generator \
+  --output requirements \
+  --file-key "py_build_${package_name}" \
+  --file-key "py_rapids_build_${package_name}" \
+  --matrix "cuda=${RAPIDS_CUDA_VERSION%.*};arch=$(arch);py=${RAPIDS_PY_VERSION};cuda_suffixed=true" \
+| tee /tmp/requirements-build.txt
+
+rapids-logger "Installing build requirements"
+python -m pip install \
+    -v \
+    --prefer-binary \
+    -r /tmp/requirements-build.txt
+
+# build with '--no-build-isolation', for better sccache hit rate
+# 0 really means "add --no-build-isolation" (ref: https://github.com/pypa/pip/issues/5735)
+export PIP_NO_BUILD_ISOLATION=0
+
+# NOTE: 'libcumlprims_mg.so' is marked as '--exclude' here because auditwheel doesn't detect it,
+#       but it really is intentionally included in 'libcuml' wheels
+EXCLUDE_ARGS=(
+  --exclude "libcumlprims_mg.so"
+  --exclude "libcuvs.so"
+  --exclude "libraft.so"
+  --exclude "libcublas.so.*"
+  --exclude "libcublasLt.so.*"
+  --exclude "libcufft.so.*"
+  --exclude "libcurand.so.*"
+  --exclude "libcusolver.so.*"
+  --exclude "libcusparse.so.*"
+  --exclude "libnvJitLink.so.*"
+)
+
+export SKBUILD_CMAKE_ARGS="-DDISABLE_DEPRECATION_WARNINGS=ON;-DCPM_cumlprims_mg_SOURCE=${GITHUB_WORKSPACE}/cumlprims_mg/"
+./ci/build_wheel.sh "${package_name}" "${package_dir}"
+
+mkdir -p ${package_dir}/final_dist
+python -m auditwheel repair \
+    "${EXCLUDE_ARGS[@]}" \
+    -w ${package_dir}/final_dist \
+    ${package_dir}/dist/*
+
+./ci/validate_wheel.sh ${package_dir} final_dist
+
+RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" rapids-upload-wheels-to-s3 cpp "${package_dir}/final_dist"

ci/checks/black_lists.sh

@@ -1,5 +1,5 @@
 #!/bin/bash
-# Copyright (c) 2019-2023, NVIDIA CORPORATION.
+# Copyright (c) 2019-2025, NVIDIA CORPORATION.
 ##########################################
 # cuML black listed function call Tester #
 ##########################################
@@ -40,7 +40,7 @@ done
 
 for cond_black_listed in cudaMemcpy cudaMemset; do
     TMP=`git --no-pager diff --ignore-submodules -w --minimal -U0 -S"$cond_black_listed" $PR_TARGET_BRANCH | grep '^+' | grep -v '^+++' | grep -P "$cond_black_listed(?!Async)"`
-    
+
     if [ "$TMP" != "" ]; then
         for filename in `git --no-pager diff --ignore-submodules -w --minimal --name-only -S"$cond_black_listed" $PR_TARGET_BRANCH`; do
             basefilename=$(basename -- "$filename")