enforce a floor on libnvjitlink, build wheels with CUDA 13.0.x, test wheels against mix of CTK versions

ci/test_wheel_cugraph.sh

@@ -22,7 +22,6 @@ rapids-generate-pip-constraints test_python "${PIP_CONSTRAINT}"
 CUDA_MAJOR=$(echo "${RAPIDS_CUDA_VERSION}" | cut -d'.' -f1)
 CUDA_MINOR=$(echo "${RAPIDS_CUDA_VERSION}" | cut -d'.' -f2)
 PIP_INSTALL_ARGS=()
-torch_downloaded=false
 if \
     { [ "${CUDA_MAJOR}" -eq 12 ] && [ "${CUDA_MINOR}" -eq 9 ]; } \
     || { [ "${CUDA_MAJOR}" -eq 13 ] && [ "${CUDA_MINOR}" -eq 0 ]; }; \
@@ -32,7 +31,6 @@ then
     TORCH_WHEEL_DIR="$(mktemp -d)"
     ./ci/download-torch-wheels.sh "${TORCH_WHEEL_DIR}"
     PIP_INSTALL_ARGS+=("${TORCH_WHEEL_DIR}"/torch*.whl)
-    torch_downloaded=true
 fi
 
 # notes:
@@ -49,18 +47,4 @@ rapids-pip-retry install \
     "${LIBCUGRAPH_WHEELHOUSE}"/libcugraph*.whl \
     "${PIP_INSTALL_ARGS[@]}"
 
-# TODO: remove this when RAPIDS wheels and 'torch' CUDA wheels have compatible package requirements
-#
-#    * https://github.com/rapidsai/cugraph/issues/5443
-#    * https://github.com/rapidsai/build-planning/issues/257
-#    * https://github.com/rapidsai/build-planning/issues/255
-#
-CUDA_MAJOR="${RAPIDS_CUDA_VERSION%%.*}"
-CUDA_MINOR=$(echo "${RAPIDS_CUDA_VERSION}" | cut -d'.' -f2)
-if [[ "${CUDA_MAJOR}" == "13" ]] && [[ "${torch_downloaded}" == "true" ]]; then
-    pip install \
-        --upgrade \
-        "nvidia-nvjitlink>=${CUDA_MAJOR}.${CUDA_MINOR}"
-fi
-
 ./ci/test_wheel.sh cugraph

ci/test_wheel_pylibcugraph.sh

@@ -11,8 +11,18 @@ RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen "${RAPIDS_CUDA_VERSION}")"
 PYLIBCUGRAPH_WHEELHOUSE=$(rapids-download-from-github "$(rapids-package-name "wheel_python" pylibcugraph --stable --cuda "$RAPIDS_CUDA_VERSION")")
 LIBCUGRAPH_WHEELHOUSE=$(RAPIDS_PY_WHEEL_NAME="libcugraph_${RAPIDS_PY_CUDA_SUFFIX}" rapids-download-wheels-from-github cpp)
 
-# echo to expand wildcard before adding `[extra]` requires for pip
+# generate constraints (possibly pinning to oldest support versions of dependencies)
+rapids-generate-pip-constraints test_python "${PIP_CONSTRAINT}"
+
+# notes:
+#
+#   * echo to expand wildcard before adding `[test]` requires for pip
+#   * just providing --constraint="${PIP_CONSTRAINT}" to be explicit, and because
+#     that environment variable is ignored if any other --constraint are passed via the CLI
+#
 rapids-pip-retry install \
+    --prefer-binary \
+    --constraint "${PIP_CONSTRAINT}" \
     "$(echo "${PYLIBCUGRAPH_WHEELHOUSE}"/pylibcugraph*.whl)[test]" \
     "${LIBCUGRAPH_WHEELHOUSE}"/libcugraph*.whl
 

conda/recipes/libcugraph/recipe.yaml

@@ -130,9 +130,6 @@ outputs:
         - libcurand
         - libcusolver
         - libcusparse
-        - if: cuda_major == "13"
-          then:
-            - libnvjitlink
       ignore_run_exports:
         by_name:
           - cuda-nvtx
@@ -146,9 +143,6 @@ outputs:
           - libucxx
           - nccl
           - openmpi
-          - if: cuda_major == "13"
-            then:
-              - libnvjitlink
     about:
       homepage: ${{ load_from_file("python/libcugraph/pyproject.toml").project.urls.Homepage }}
       license: ${{ load_from_file("python/libcugraph/pyproject.toml").project.license }}

dependencies.yaml

@@ -220,6 +220,8 @@ dependencies:
       - output_types: [conda, requirements]
         packages:
           - pre-commit
+  # 'cuda_version' intentionally does not contain fallback entries... we want
+  # a loud error if an unsupported 'cuda' value is passed
   cuda_version:
     specific:
       - output_types: conda
@@ -248,6 +250,51 @@ dependencies:
               cuda: "13.1"
             packages:
               - cuda-version=13.1
+      - output_types: requirements
+        matrices:
+          # if use_cuda_wheels=false is provided, do not add dependencies on any CUDA wheels
+          # (e.g. for DLFW and pip devcontainers)
+          - matrix:
+              use_cuda_wheels: "false"
+            packages:
+          - matrix:
+              arch: aarch64
+              cuda: "12.2"
+              use_cuda_wheels: "true"
+            packages:
+              # some components (like nvidia-cublas-cu12 and nvidia-cuda-nvcc-cu12) didn't have
+              # aarch64 wheels until CTK 12.3, so allow a slightly looser bound here
+              - cuda-toolkit>=12.2,<12.4
+          - matrix:
+              cuda: "12.2"
+              use_cuda_wheels: "true"
+            packages:
+              - cuda-toolkit==12.2.*
+          - matrix:
+              cuda: "12.5"
+              use_cuda_wheels: "true"
+            packages:
+              - cuda-toolkit==12.5.*
+          - matrix:
+              cuda: "12.8"
+              use_cuda_wheels: "true"
+            packages:
+              - cuda-toolkit==12.8.*
+          - matrix:
+              cuda: "12.9"
+              use_cuda_wheels: "true"
+            packages:
+              - cuda-toolkit==12.9.*
+          - matrix:
+              cuda: "13.0"
+              use_cuda_wheels: "true"
+            packages:
+              - cuda-toolkit==13.0.*
+          - matrix:
+              cuda: "13.1"
+              use_cuda_wheels: "true"
+            packages:
+              - cuda-toolkit==13.1.*
   cuda:
     common:
       - output_types: [conda]
@@ -270,28 +317,40 @@ dependencies:
             packages:
   cuda_wheels:
     specific:
-      - output_types: [pyproject, requirements]
+      # cuGraph needs 'nvJitLink>={whatever-cuvs-was-built-against}' at runtime, and mixing
+      # old-CTK with new-nvJitLink is supported, so maintain 1 entry here per CUDA major.minor
+      # cuVS is built against.
+      #
+      # nvJitLink has historically roughly followed the CTK's minor versioning scheme,
+      # but check at https://docs.nvidia.com/cuda/cuda-toolkit-release-notes/index.html
+      - output_types: [requirements, pyproject]
         matrices:
+          # skip this whole group if explicitly opting out of CUDA wheels
           - matrix:
-              cuda: "12.*"
-              use_cuda_wheels: "true"
+              use_cuda_wheels: "false"
             packages:
-              - cuda-toolkit[cublas,curand,cusolver,cusparse,nvjitlink]==12.*
+          # We always want nvJitLink >= whatever minor version was available in the build environment
+          # nvJitLink tends to follow the CTK's minor versions, but check at https://docs.nvidia.com/cuda/cuda-toolkit-release-notes/index.html
+          #
+          # ref: https://github.com/rapidsai/cudf/pull/20873
           - matrix:
-              cuda: "13.*"
+              cuda: "12.9"
               use_cuda_wheels: "true"
             packages:
-              - cuda-toolkit[cublas,curand,cusolver,cusparse,nvjitlink]==13.*
-          # if use_cuda_wheels=false is provided, do not add dependencies on any CUDA wheels
-          # (e.g. for DLFW and pip devcontainers)
+              - cuda-toolkit[cublas,curand,cusolver,cusparse]==12.*
+              - nvidia-nvjitlink-cu12>=12.9,<13
           - matrix:
-              use_cuda_wheels: "false"
+              cuda: "13.*"
+              use_cuda_wheels: "true"
             packages:
-          # if no matching matrix selectors passed, list the unsuffixed packages
+              - &ctk_cu13 cuda-toolkit[cublas,curand,cusolver,cusparse]==13.*
+              - &nvjitlink_cu13 nvidia-nvjitlink>=13.0,<14
+          # if no matching matrix selectors passed, list the CUDA 13 requirement
           # (just as a source of documentation, as this populates pyproject.toml in source control)
           - matrix:
             packages:
-              - cuda-toolkit[cublas,curand,cusolver,cusparse,nvjitlink]>=12,<14
+              - *ctk_cu13
+              - *nvjitlink_cu13
   common_build:
     common:
       - output_types: [conda, requirements, pyproject]

python/cugraph/pyproject.toml

@@ -99,7 +99,7 @@ requires = [
     "rmm==26.4.*,>=0.0.0a0",
 ] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
 dependencies-file = "../../dependencies.yaml"
-matrix-entry = "cuda_suffixed=true"
+matrix-entry = "cuda_suffixed=true;use_cuda_wheels=true"
 
 [tool.pydistcheck]
 select = [

python/libcugraph/pyproject.toml

@@ -26,9 +26,10 @@ classifiers = [
     "Environment :: GPU :: NVIDIA CUDA",
 ]
 dependencies = [
-    "cuda-toolkit[cublas,curand,cusolver,cusparse,nvjitlink]>=12,<14",
+    "cuda-toolkit[cublas,curand,cusolver,cusparse]==13.*",
     "libraft==26.4.*,>=0.0.0a0",
     "librmm==26.4.*,>=0.0.0a0",
+    "nvidia-nvjitlink>=13.0,<14",
 ] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
 
 [project.urls]
@@ -62,7 +63,7 @@ regex = "(?P<value>.*)"
 [tool.rapids-build-backend]
 build-backend = "scikit_build_core.build"
 dependencies-file = "../../dependencies.yaml"
-matrix-entry = "cuda_suffixed=true"
+matrix-entry = "cuda_suffixed=true;use_cuda_wheels=true"
 requires = [
     "cmake>=3.30.4",
     "libraft==26.4.*,>=0.0.0a0",

python/pylibcugraph/pyproject.toml

@@ -82,7 +82,7 @@ requires = [
     "pylibraft==26.4.*,>=0.0.0a0",
     "rmm==26.4.*,>=0.0.0a0",
 ] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
-matrix-entry = "cuda_suffixed=true"
+matrix-entry = "cuda_suffixed=true;use_cuda_wheels=true"
 
 [tool.pydistcheck]
 select = [