build wheels for cugraph-dgl and cugraph-pyg (#4075)

Closes #4061

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

Approvers:
  - Alex Barghi (https://github.com/alexbarghi-nv)
  - Jake Awe (https://github.com/AyodeAwe)

URL: #4075

.github/workflows/build.yaml

@@ -133,3 +133,43 @@ jobs:
       sha: ${{ inputs.sha }}
       date: ${{ inputs.date }}
       package-name: nx-cugraph
+  wheel-build-cugraph-dgl:
+    needs: wheel-publish-cugraph
+    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_cugraph-dgl.sh
+  wheel-publish-cugraph-dgl:
+    needs: wheel-build-cugraph-dgl
+    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: cugraph-dgl
+  wheel-build-cugraph-pyg:
+    needs: wheel-publish-cugraph
+    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_cugraph-pyg.sh
+  wheel-publish-cugraph-pyg:
+    needs: wheel-build-cugraph-pyg
+    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: cugraph-pyg

.github/workflows/pr.yaml

@@ -25,6 +25,10 @@ jobs:
       - wheel-tests-cugraph
       - wheel-build-nx-cugraph
       - wheel-tests-nx-cugraph
+      - wheel-build-cugraph-dgl
+      - wheel-tests-cugraph-dgl
+      - wheel-build-cugraph-pyg
+      - wheel-tests-cugraph-pyg
       - devcontainer
     secrets: inherit
     uses: rapidsai/shared-workflows/.github/workflows/[email protected]
@@ -127,6 +131,36 @@ jobs:
     with:
       build_type: pull-request
       script: ci/test_wheel_nx-cugraph.sh
+  wheel-build-cugraph-dgl:
+    needs: wheel-tests-cugraph
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/build_wheel_cugraph-dgl.sh
+  wheel-tests-cugraph-dgl:
+    needs: wheel-build-cugraph-dgl
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/test_wheel_cugraph-dgl.sh
+      matrix_filter: map(select(.ARCH == "amd64"))
+  wheel-build-cugraph-pyg:
+    needs: wheel-tests-cugraph
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/build_wheel_cugraph-pyg.sh
+  wheel-tests-cugraph-pyg:
+    needs: wheel-build-cugraph-pyg
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: pull-request
+      script: ci/test_wheel_cugraph-pyg.sh
+      matrix_filter: map(select(.ARCH == "amd64" and .CUDA_VER == "11.8.0"))
   devcontainer:
     secrets: inherit
     uses: rapidsai/shared-workflows/.github/workflows/[email protected]

.github/workflows/test.yaml

@@ -57,3 +57,21 @@ jobs:
       date: ${{ inputs.date }}
       sha: ${{ inputs.sha }}
       script: ci/test_wheel_nx-cugraph.sh
+  wheel-tests-cugraph-dgl:
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: nightly
+      branch: ${{ inputs.branch }}
+      date: ${{ inputs.date }}
+      sha: ${{ inputs.sha }}
+      script: ci/test_wheel_cugraph-dgl.sh
+  wheel-tests-cugraph-pyg:
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      build_type: nightly
+      branch: ${{ inputs.branch }}
+      date: ${{ inputs.date }}
+      sha: ${{ inputs.sha }}
+      script: ci/test_wheel_cugraph-pyg.sh

ci/build_wheel.sh

@@ -1,5 +1,5 @@
 #!/bin/bash
-# Copyright (c) 2023, NVIDIA CORPORATION.
+# Copyright (c) 2023-2024, NVIDIA CORPORATION.
 
 set -euo pipefail
 
@@ -36,7 +36,7 @@ if ! rapids-is-release-build; then
     alpha_spec=',>=0.0.0a0'
 fi
 
-for dep in rmm cudf raft-dask pylibcugraph pylibraft ucx-py; do
+for dep in rmm cudf cugraph raft-dask pylibcugraph pylibcugraphops pylibraft ucx-py; do
     sed -r -i "s/${dep}==(.*)\"/${dep}${PACKAGE_CUDA_SUFFIX}==\1${alpha_spec}\"/g" ${pyproject_file}
 done
 
@@ -55,7 +55,9 @@ cd "${package_dir}"
 python -m pip wheel . -w dist -vvv --no-deps --disable-pip-version-check
 
 # pure-python packages should not have auditwheel run on them.
-if [[ ${package_name} == "nx-cugraph" ]]; then
+if [[ ${package_name} == "nx-cugraph" ]] || \
+   [[ ${package_name} == "cugraph-dgl" ]] || \
+   [[ ${package_name} == "cugraph-pyg" ]]; then
     RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" rapids-upload-wheels-to-s3 dist
 else
     mkdir -p final_dist

ci/build_wheel_cugraph-dgl.sh

@@ -0,0 +1,6 @@
+#!/bin/bash
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+set -euo pipefail
+
+./ci/build_wheel.sh cugraph-dgl python/cugraph-dgl

ci/build_wheel_cugraph-pyg.sh

@@ -0,0 +1,6 @@
+#!/bin/bash
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+set -euo pipefail
+
+./ci/build_wheel.sh cugraph-pyg python/cugraph-pyg

ci/test_wheel_cugraph-dgl.sh

@@ -0,0 +1,34 @@
+#!/bin/bash
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+set -eoxu pipefail
+
+package_name="cugraph-dgl"
+package_dir="python/cugraph-dgl"
+
+python_package_name=$(echo ${package_name}|sed 's/-/_/g')
+
+mkdir -p ./dist
+RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
+
+# use 'ls' to expand wildcard before adding `[extra]` requires for pip
+RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" rapids-download-wheels-from-s3 ./dist
+# pip creates wheels using python package names
+python -m pip install $(ls ./dist/${python_package_name}*.whl)[test]
+
+
+PKG_CUDA_VER="$(echo ${CUDA_VERSION} | cut -d '.' -f1,2 | tr -d '.')"
+PKG_CUDA_VER_MAJOR=${PKG_CUDA_VER:0:2}
+if [[ "${PKG_CUDA_VER_MAJOR}" == "12" ]]; then
+  PYTORCH_CUDA_VER="121"
+else
+  PYTORCH_CUDA_VER=$PKG_CUDA_VER
+fi
+PYTORCH_URL="https://download.pytorch.org/whl/cu${PYTORCH_CUDA_VER}"
+DGL_URL="https://data.dgl.ai/wheels/cu${PYTORCH_CUDA_VER}/repo.html"
+
+rapids-logger "Installing PyTorch and DGL"
+rapids-retry python -m pip install torch --index-url ${PYTORCH_URL}
+rapids-retry python -m pip install dgl --find-links ${DGL_URL}
+
+python -m pytest python/cugraph-dgl/tests

ci/test_wheel_cugraph-pyg.sh

@@ -0,0 +1,43 @@
+#!/bin/bash
+# Copyright (c) 2024, NVIDIA CORPORATION.
+
+set -eoxu pipefail
+
+package_name="cugraph-pyg"
+package_dir="python/cugraph-pyg"
+
+python_package_name=$(echo ${package_name}|sed 's/-/_/g')
+
+mkdir -p ./dist
+RAPIDS_PY_CUDA_SUFFIX="$(rapids-wheel-ctk-name-gen ${RAPIDS_CUDA_VERSION})"
+
+# use 'ls' to expand wildcard before adding `[extra]` requires for pip
+RAPIDS_PY_WHEEL_NAME="${package_name}_${RAPIDS_PY_CUDA_SUFFIX}" rapids-download-wheels-from-s3 ./dist
+# pip creates wheels using python package names
+python -m pip install $(ls ./dist/${python_package_name}*.whl)[test]
+
+# RAPIDS_DATASET_ROOT_DIR is used by test scripts
+export RAPIDS_DATASET_ROOT_DIR="$(realpath datasets)"
+
+if [[ "${CUDA_VERSION}" == "11.8.0" ]]; then
+  rapids-logger "Installing PyTorch and PyG dependencies"
+  PYTORCH_URL="https://download.pytorch.org/whl/cu118"
+  rapids-retry python -m pip install torch==2.1.0 --index-url ${PYTORCH_URL}
+  rapids-retry python -m pip install torch-geometric==2.4.0
+  rapids-retry python -m pip install \
+    pyg_lib \
+    torch_scatter \
+    torch_sparse \
+    torch_cluster \
+    torch_spline_conv \
+    -f https://data.pyg.org/whl/torch-2.1.0+cu118.html
+
+  rapids-logger "pytest cugraph-pyg (single GPU)"
+  python -m pytest \
+    --cache-clear \
+    --ignore=tests/int \
+    --ignore=tests/mg \
+    python/cugraph-pyg/cugraph_pyg/tests
+else
+  rapids-logger "skipping cugraph-pyg wheel test on CUDA!=11.8"
+fi

dependencies.yaml

@@ -165,6 +165,15 @@ files:
       table: project
     includes:
       - python_run_cugraph_dgl
+      - depends_on_pylibcugraphops
+  py_test_cugraph_dgl:
+    output: pyproject
+    pyproject_dir: python/cugraph-dgl
+    extras:
+      table: project.optional-dependencies
+      key: test
+    includes:
+      - test_python_common
   py_build_cugraph_pyg:
     output: pyproject
     pyproject_dir: python/cugraph-pyg
@@ -179,6 +188,15 @@ files:
       table: project
     includes:
       - python_run_cugraph_pyg
+      - depends_on_pylibcugraphops
+  py_test_cugraph_pyg:
+    output: pyproject
+    pyproject_dir: python/cugraph-pyg
+    extras:
+      table: project.optional-dependencies
+      key: test
+    includes:
+      - test_python_common
   py_build_cugraph_service_client:
     output: pyproject
     pyproject_dir: python/cugraph-service/client

python/cugraph-dgl/pyproject.toml

@@ -1,4 +1,4 @@
-# Copyright (c) 2023, NVIDIA CORPORATION.
+# Copyright (c) 2023-2024, NVIDIA CORPORATION.
 
 [build-system]
 
@@ -18,15 +18,26 @@ authors = [
 ]
 license = { text = "Apache 2.0" }
 requires-python = ">=3.9"
+classifiers = [
+    "Intended Audience :: Developers",
+    "Programming Language :: Python",
+]
 dependencies = [
     "cugraph==24.2.*",
     "numba>=0.57",
     "numpy>=1.21",
+    "pylibcugraphops==24.2.*",
+] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
+
+[project.optional-dependencies]
+test = [
+    "pandas",
+    "pytest",
+    "pytest-benchmark",
+    "pytest-cov",
+    "pytest-xdist",
+    "scipy",
 ] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
-classifiers = [
-    "Intended Audience :: Developers",
-    "Programming Language :: Python",
-]
 
 [project.urls]
 Homepage = "https://github.com/rapidsai/cugraph"

python/cugraph-pyg/pyproject.toml

@@ -1,4 +1,4 @@
-# Copyright (c) 2022, NVIDIA CORPORATION.
+# Copyright (c) 2022-2024, NVIDIA CORPORATION.
 
 [build-system]
 
@@ -29,12 +29,23 @@ dependencies = [
     "cugraph==24.2.*",
     "numba>=0.57",
     "numpy>=1.21",
+    "pylibcugraphops==24.2.*",
 ] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
 
 [project.urls]
 Homepage = "https://github.com/rapidsai/cugraph"
 Documentation = "https://docs.rapids.ai/api/cugraph/stable/"
 
+[project.optional-dependencies]
+test = [
+    "pandas",
+    "pytest",
+    "pytest-benchmark",
+    "pytest-cov",
+    "pytest-xdist",
+    "scipy",
+] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit ../../dependencies.yaml and run `rapids-dependency-file-generator`.
+
 [tool.setuptools]
 license-files = ["LICENSE"]