wheels CI: stricter torch index selection, test oldest versions of dependencies

.github/workflows/pr.yaml

@@ -257,6 +257,7 @@ jobs:
       build_type: pull-request
       script: ci/test_wheel_pylibwholegraph.sh
       matrix_filter: map(select(.ARCH == "amd64"))
+      matrix_type: 'nightly'
   wheel-build-cugraph-pyg:
     needs: checks
     secrets: inherit
@@ -279,3 +280,4 @@ jobs:
       build_type: pull-request
       script: ci/test_wheel_cugraph-pyg.sh
       matrix_filter: map(select(.ARCH == "amd64"))
+      matrix_type: 'nightly'

.gitignore

@@ -40,6 +40,8 @@ wheels/
 wheelhouse/
 _skbuild/
 cufile.log
+*.tar.gz
+*.whl
 
 ## Patching
 *.diff

ci/download-torch-wheels.sh

@@ -0,0 +1,34 @@
+#!/bin/bash
+# SPDX-FileCopyrightText: Copyright (c) 2026, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+
+# [description]
+#
+#   Downloads a CUDA variant of 'torch' from the correct index, based on CUDA major version.
+#
+#   This exists to avoid using 'pip --extra-index-url', which could allow for CPU-only 'torch'
+#   to be downloaded from pypi.org.
+#
+
+set -e -u -o pipefail
+
+TORCH_WHEEL_DIR="${1}"
+
+# Ensure CUDA-enabled 'torch' packages are always used.
+#
+# Downloading + passing the downloaded file as a requirement forces the use of this
+# package, so we don't accidentally end up with a CPU-only 'torch' from 'pypi.org'
+# (which can happen because pip doesn't support index priority).
+rapids-dependency-file-generator \
+    --output requirements \
+    --file-key "torch_only" \
+    --matrix "cuda=${RAPIDS_CUDA_VERSION%.*};arch=$(arch);py=${RAPIDS_PY_VERSION};dependencies=${RAPIDS_DEPENDENCIES};include_torch_extra_index=false;require_gpu=true" \
+| tee "${PIP_CONSTRAINT}"
+
+rapids-pip-retry download \
+  --isolated \
+  --prefer-binary \
+  --no-deps \
+  -d "${TORCH_WHEEL_DIR}" \
+  --constraint "${PIP_CONSTRAINT}" \
+  'torch'

ci/test_wheel_cugraph-pyg.sh

@@ -15,13 +15,16 @@ LIBWHOLEGRAPH_WHEELHOUSE=$(RAPIDS_PY_WHEEL_NAME="libwholegraph_${RAPIDS_PY_CUDA_
 PYLIBWHOLEGRAPH_WHEELHOUSE=$(rapids-download-from-github "$(rapids-package-name "wheel_python" pylibwholegraph --stable --cuda "$RAPIDS_CUDA_VERSION")")
 CUGRAPH_PYG_WHEELHOUSE=$(RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" RAPIDS_PY_WHEEL_PURE="1" rapids-download-wheels-from-github python)
 
-CUDA_MAJOR="${RAPIDS_CUDA_VERSION%%.*}"
+# generate constraints, accounting for 'oldest' and 'latest' dependencies
+rapids-dependency-file-generator \
+    --output requirements \
+    --file-key "test_cugraph_pyg" \
+    --matrix "cuda=${RAPIDS_CUDA_VERSION%.*};arch=$(arch);py=${RAPIDS_PY_VERSION};dependencies=${RAPIDS_DEPENDENCIES};include_torch_extra_index=false" \
+| tee "${PIP_CONSTRAINT}"
 
-if [[ "${CUDA_MAJOR}" == "12" ]]; then
-  PYTORCH_INDEX="https://download.pytorch.org/whl/cu126"
-else
-  PYTORCH_INDEX="https://download.pytorch.org/whl/cu130"
-fi
+# ensure a CUDA variant of 'torch' is used
+TORCH_WHEEL_DIR="$(mktemp -d)"
+./ci/download-torch-wheels.sh "${TORCH_WHEEL_DIR}"
 
 # notes:
 #
@@ -30,12 +33,13 @@ fi
 #     its dependencies are available from pypi.org
 #
 rapids-pip-retry install \
-    -v \
-    --extra-index-url "${PYTORCH_INDEX}" \
+    --prefer-binary \
+    --constraint "${PIP_CONSTRAINT}" \
     --extra-index-url 'https://pypi.nvidia.com' \
     "${LIBWHOLEGRAPH_WHEELHOUSE}"/*.whl \
     "$(echo "${PYLIBWHOLEGRAPH_WHEELHOUSE}"/pylibwholegraph_"${RAPIDS_PY_CUDA_SUFFIX}"*.whl)" \
-    "$(echo "${CUGRAPH_PYG_WHEELHOUSE}"/cugraph_pyg_"${RAPIDS_PY_CUDA_SUFFIX}"*.whl)[test]"
+    "$(echo "${CUGRAPH_PYG_WHEELHOUSE}"/cugraph_pyg_"${RAPIDS_PY_CUDA_SUFFIX}"*.whl)[test]" \
+    "${TORCH_WHEEL_DIR}"/torch-*.whl
 
 # RAPIDS_DATASET_ROOT_DIR is used by test scripts
 export RAPIDS_DATASET_ROOT_DIR="$(realpath datasets)"

ci/test_wheel_pylibwholegraph.sh

@@ -2,9 +2,7 @@
 # SPDX-FileCopyrightText: Copyright (c) 2023-2026, NVIDIA CORPORATION.
 # SPDX-License-Identifier: Apache-2.0
 
-set -e          # abort the script on error
-set -o pipefail # piped commands propagate their error
-set -E          # ERR traps are inherited by subcommands
+set -euo pipefail
 
 # Delete system libnccl.so to ensure the wheel is used.
 # (but only do this in CI, to avoid breaking local dev environments)
@@ -18,23 +16,29 @@ RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
 LIBWHOLEGRAPH_WHEELHOUSE=$(RAPIDS_PY_WHEEL_NAME="libwholegraph_${RAPIDS_PY_CUDA_SUFFIX}" rapids-download-wheels-from-github cpp)
 PYLIBWHOLEGRAPH_WHEELHOUSE=$(rapids-download-from-github "$(rapids-package-name "wheel_python" pylibwholegraph --stable --cuda "$RAPIDS_CUDA_VERSION")")
 
-# determine pytorch source
-if [[ "${CUDA_MAJOR}" == "12" ]]; then
-  PYTORCH_INDEX="https://download.pytorch.org/whl/cu126"
-else
-  PYTORCH_INDEX="https://download.pytorch.org/whl/cu130"
-fi
 RAPIDS_TESTS_DIR=${RAPIDS_TESTS_DIR:-"${PWD}/test-results"}
 RAPIDS_COVERAGE_DIR=${RAPIDS_COVERAGE_DIR:-"${PWD}/coverage-results"}
 mkdir -p "${RAPIDS_TESTS_DIR}" "${RAPIDS_COVERAGE_DIR}"
 
+# generate constraints, accounting for 'oldest' and 'latest' dependencies
+rapids-dependency-file-generator \
+    --output requirements \
+    --file-key "test_pylibwholegraph" \
+    --matrix "cuda=${RAPIDS_CUDA_VERSION%.*};arch=$(arch);py=${RAPIDS_PY_VERSION};dependencies=${RAPIDS_DEPENDENCIES};include_torch_extra_index=false" \
+| tee "${PIP_CONSTRAINT}"
+
+# ensure a CUDA variant of 'torch' is used
+TORCH_WHEEL_DIR="$(mktemp -d)"
+./ci/download-torch-wheels.sh "${TORCH_WHEEL_DIR}"
+
 # echo to expand wildcard before adding `[extra]` requires for pip
 rapids-logger "Installing Packages"
 rapids-pip-retry install \
-    --extra-index-url ${PYTORCH_INDEX} \
+    --prefer-binary \
+    --constraint "${PIP_CONSTRAINT}" \
     "$(echo "${PYLIBWHOLEGRAPH_WHEELHOUSE}"/pylibwholegraph*.whl)[test]" \
     "${LIBWHOLEGRAPH_WHEELHOUSE}"/*.whl \
-    'torch>=2.3'
+    "${TORCH_WHEEL_DIR}"/torch-*.whl
 
 rapids-logger "pytest pylibwholegraph"
 cd python/pylibwholegraph/pylibwholegraph/tests

conda/recipes/cugraph-pyg/recipe.yaml

@@ -40,7 +40,7 @@ requirements:
     # This is intentionally spelled 'pytorch' (not 'pytorch-gpu' and not using build string selectors)
     # because we want it to be possible to at least install `cugraph-pyg` in an environment without a GPU,
     # to support use cases like building container images.
-    - pytorch >=2.3
+    - pytorch >=2.4
     - pytorch_geometric >=2.5,<2.8
 
 tests:

dependencies.yaml

@@ -60,12 +60,11 @@ files:
       - depends_on_cudf
       - depends_on_pytorch
       - depends_on_cuml
-      - depends_on_ogb
-      - depends_on_sentence_transformers
       - py_version
       - test_python_common
       - depends_on_pylibwholegraph
       - depends_on_cugraph_pyg
+      - test_python_cugraph_pyg
   test_pylibwholegraph:
     output: none
     includes:
@@ -76,6 +75,10 @@ files:
       - test_python_common
       - depends_on_pylibwholegraph
       - test_python_pylibwholegraph
+  torch_only:
+    output: none
+    includes:
+      - depends_on_pytorch
   py_build_libwholegraph:
     output: pyproject
     pyproject_dir: python/libwholegraph
@@ -135,6 +138,7 @@ files:
       table: project.optional-dependencies
       key: test
     includes:
+      - depends_on_pytorch
       - test_python_common
       - test_python_pylibwholegraph
   py_build_cugraph_pyg:
@@ -324,6 +328,10 @@ dependencies:
           - *cmake_ver
   test_python_common:
     common:
+      - output_types: [conda]
+        packages:
+          - torchdata
+          - pydantic
       - output_types: [conda, pyproject, requirements]
         packages:
           - pytest<9.0.0
@@ -335,6 +343,7 @@ dependencies:
       - output_types: [conda, pyproject, requirements]
         packages:
           - ogb
+          # for MovieLens example
           - sentence-transformers
   test_python_pylibwholegraph:
     common:
@@ -343,45 +352,106 @@ dependencies:
           - pytest-forked
           - scipy
   depends_on_pytorch:
-    common:
-      - output_types: [conda]
-        packages:
-          - torchdata
-          - pydantic
     specific:
       - output_types: [requirements]
         matrices:
+          # If 'include_torch_extra_index=false' is passed, avoid these --extra-index-url.
+          # (useful in CI scripts where we want to tightly control which indices 'pip' uses).
           - matrix:
-              cuda: "12.*"
+              include_torch_extra_index: "false"
+            packages:
+          # otherwise, choose a CUDA-version-specific index
+          - matrix:
+              cuda: "12.[234]"
             packages:
+              # oldest torch: 2.4.0+cu124
+              - &oldest_torch_index_cu12 --extra-index-url=https://download.pytorch.org/whl/cu124
+          - matrix:
+              cuda: "12.[56]"
+            packages:
+              # oldest torch: 2.6.0+cu126
               - --extra-index-url=https://download.pytorch.org/whl/cu126
+          - matrix:
+              cuda: "12.[78]"
+            packages:
+              # oldest torch: 2.7.0+cu128
+              - --extra-index-url=https://download.pytorch.org/whl/cu128
+          - matrix:
+              cuda: "12.*"
+            packages:
+              # oldest torch: 2.8.0+cu129
+              - &latest_torch_index_cu12 --extra-index-url=https://download.pytorch.org/whl/cu129
           - matrix:
               cuda: "13.*"
             packages:
-              - --extra-index-url=https://download.pytorch.org/whl/cu130
+              # oldest torch: 2.9.0+cu130
+              - &torch_index_cu13 --extra-index-url=https://download.pytorch.org/whl/cu130
           - matrix:
             packages:
+      # For pyproject.toml (and therefore wheel metadata), avoid --extra-index-url
+      # and use pins that don't have CUDA-specific version modifiers (so installing alongside
+      # CPU-only torch is technically possible).
+      #
+      # --extra-index-url for requirements is handled by other lists here.
       - output_types: [requirements, pyproject]
         matrices:
           - matrix:
               cuda: "12.*"
             packages:
-              - torch>=2.3
+              - torch>=2.4
           - matrix:
               cuda: "13.*"
             packages:
               - &pytorch_pip torch>=2.9.0
           - matrix:
             packages:
               - *pytorch_pip
+      # For [requirements], include --extra-index-url and CUDA-specific version modifiers
+      # to ensure we get CUDA builds at test time.
+      - output_types: [requirements]
+        matrices:
+          - matrix:
+              cuda: "12.*"
+              dependencies: "oldest"
+              require_gpu: "true"
+            packages:
+              - *oldest_torch_index_cu12
+              - torch==2.4.0+cu124
+          - matrix:
+              cuda: "13.*"
+              dependencies: "oldest"
+              require_gpu: "true"
+            packages:
+              - *torch_index_cu13
+              - torch==2.9.0+cu130
+          - matrix:
+              cuda: "12.*"
+              require_gpu: "true"
+            packages:
+              - *latest_torch_index_cu12
+              - torch==2.8.0+cu129
+          - matrix:
+              cuda: "13.*"
+              require_gpu: "true"
+            packages:
+              - *torch_index_cu13
+              - torch==2.10.0+cu130
+          # Nothing above matches, don't add a CUDA-specific 'torch' requirement.
+          #
+          # This keeps these tight pins out of [test] extras in wheels.
+          #
+          # Also useful for cases like RAPIDS DLFW builds, where 'torch' is provided a different
+          # way and we want to avoid installing it from external repos.
+          - matrix:
+            packages:
       - output_types: [conda]
         matrices:
           # Prevent fallback to CPU-only pytorch when we want a CUDA variant.
           - matrix:
               require_gpu: "true"
             packages:
-              - pytorch-gpu
-          # Default to falling back to whatever 'pytorch' is pulled in via cugraph-pyg's dependencies.
+              - pytorch-gpu >=2.4
+          # Default to falling back to whatever 'pytorch' is pulled in via cugraph-pyg's / pylibwholegraph's dependencies.
           - matrix:
             packages:
   depends_on_nccl:
@@ -399,17 +469,6 @@ dependencies:
               - nvidia-nccl-cu12>=2.19
           - matrix:
             packages:
-  depends_on_ogb:
-    common:
-      - output_types: [conda, requirements, pyproject]
-        packages:
-          - ogb
-  # for MovieLens example
-  depends_on_sentence_transformers:
-    common:
-      - output_types: [conda, requirements, pyproject]
-        packages:
-          - sentence-transformers
   depends_on_pyg:
     common:
       - output_types: [conda]

python/pylibwholegraph/pyproject.toml

@@ -39,6 +39,7 @@ test = [
     "pytest-xdist",
     "pytest<9.0.0",
     "scipy",
+    "torch>=2.9.0",
 ] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
 
 [tool.rapids-build-backend]