[RELEASE] cugraph-gnn v25.02

.devcontainer/Dockerfile

@@ -0,0 +1,36 @@
+# syntax=docker/dockerfile:1.5
+
+ARG BASE
+ARG PYTHON_PACKAGE_MANAGER=conda
+
+FROM ${BASE} as pip-base
+
+ENV DEFAULT_VIRTUAL_ENV=rapids
+
+RUN apt update -y \
+ && DEBIAN_FRONTEND=noninteractive apt install -y \
+    libblas-dev liblapack-dev \
+ && rm -rf /tmp/* /var/tmp/* /var/cache/apt/* /var/lib/apt/lists/*;
+
+FROM ${BASE} as conda-base
+
+ENV DEFAULT_CONDA_ENV=rapids
+ENV RAPIDS_LIBUCX_PREFER_SYSTEM_LIBRARY=true
+
+FROM ${PYTHON_PACKAGE_MANAGER}-base
+
+ARG CUDA
+ENV CUDAARCHS="RAPIDS"
+ENV CUDA_VERSION="${CUDA_VERSION:-${CUDA}}"
+
+ARG PYTHON_PACKAGE_MANAGER
+ENV PYTHON_PACKAGE_MANAGER="${PYTHON_PACKAGE_MANAGER}"
+
+ENV PYTHONSAFEPATH="1"
+ENV PYTHONUNBUFFERED="1"
+ENV PYTHONDONTWRITEBYTECODE="1"
+
+ENV SCCACHE_REGION="us-east-2"
+ENV SCCACHE_BUCKET="rapids-sccache-devs"
+ENV AWS_ROLE_ARN="arn:aws:iam::279114543810:role/nv-gha-token-sccache-devs"
+ENV HISTFILE="/home/coder/.cache/._bash_history"

.devcontainer/README.md

@@ -0,0 +1,35 @@
+# cugraph-gnn Development Containers
+
+This directory contains [devcontainer configurations](https://containers.dev/implementors/json_reference/) for using VSCode to [develop in a container](https://code.visualstudio.com/docs/devcontainers/containers) via the `Remote Containers` [extension](https://marketplace.visualstudio.com/items?itemName=ms-vscode-remote.remote-containers) or [GitHub Codespaces](https://github.com/codespaces).
+
+This container is a turnkey development environment for building and testing the cuGraph C++ and Python libraries.
+
+## Table of Contents
+
+* [Prerequisites](#prerequisites)
+* [Host bind mounts](#host-bind-mounts)
+* [Launch a Dev Container](#launch-a-dev-container)
+
+## Prerequisites
+
+* [VSCode](https://code.visualstudio.com/download)
+* [VSCode Remote Containers extension](https://marketplace.visualstudio.com/items?itemName=ms-vscode-remote.remote-containers)
+
+## Host bind mounts
+
+By default, the following directories are bind-mounted into the devcontainer:
+
+* `${repo}:/home/coder/cugraph-gnn`
+* `${repo}/../.aws:/home/coder/.aws`
+* `${repo}/../.local:/home/coder/.local`
+* `${repo}/../.cache:/home/coder/.cache`
+* `${repo}/../.conda:/home/coder/.conda`
+* `${repo}/../.config:/home/coder/.config`
+
+This ensures caches, configurations, dependencies, and your commits are persisted on the host across container runs.
+
+## Launch a Dev Container
+
+To launch a devcontainer from VSCode, open the cugraph-gnn repo and select the "Reopen in Container" button in the bottom right.
+
+Alternatively, open the VSCode command palette (typically `cmd/ctrl + shift + P`) and run the "Rebuild and Reopen in Container" command.

.devcontainer/cuda11.8-conda/devcontainer.json

@@ -0,0 +1,42 @@
+{
+  "build": {
+    "context": "${localWorkspaceFolder}/.devcontainer",
+    "dockerfile": "${localWorkspaceFolder}/.devcontainer/Dockerfile",
+    "args": {
+      "CUDA": "11.8",
+      "PYTHON_PACKAGE_MANAGER": "conda",
+      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda11.8-mambaforge-ubuntu22.04"
+    }
+  },
+  "runArgs": [
+    "--rm",
+    "--name",
+    "${localEnv:USER:anon}-rapids-${localWorkspaceFolderBasename}-25.02-cuda11.8-conda"
+  ],
+  "hostRequirements": {"gpu": "optional"},
+  "features": {
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils:25.2": {}
+  },
+  "overrideFeatureInstallOrder": [
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils"
+  ],
+  "initializeCommand": ["/bin/bash", "-c", "mkdir -m 0755 -p ${localWorkspaceFolder}/../.{aws,cache,config,conda/pkgs,conda/${localWorkspaceFolderBasename}-cuda11.8-envs}"],
+  "postAttachCommand": ["/bin/bash", "-c", "if [ ${CODESPACES:-false} = 'true' ]; then . devcontainer-utils-post-attach-command; . rapids-post-attach-command; fi"],
+  "workspaceFolder": "/home/coder",
+  "workspaceMount": "source=${localWorkspaceFolder},target=/home/coder/cugraph-gnn,type=bind,consistency=consistent",
+  "mounts": [
+    "source=${localWorkspaceFolder}/../.aws,target=/home/coder/.aws,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.cache,target=/home/coder/.cache,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.config,target=/home/coder/.config,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.conda/pkgs,target=/home/coder/.conda/pkgs,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.conda/${localWorkspaceFolderBasename}-cuda11.8-envs,target=/home/coder/.conda/envs,type=bind,consistency=consistent"
+  ],
+  "customizations": {
+    "vscode": {
+      "extensions": [
+        "ms-python.flake8",
+        "nvidia.nsight-vscode-edition"
+      ]
+    }
+  }
+}

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

@@ -0,0 +1,49 @@
+{
+  "build": {
+    "context": "${localWorkspaceFolder}/.devcontainer",
+    "dockerfile": "${localWorkspaceFolder}/.devcontainer/Dockerfile",
+    "args": {
+      "CUDA": "11.8",
+      "PYTHON_PACKAGE_MANAGER": "pip",
+      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda11.8-ucx1.18.0-openmpi-ubuntu22.04"
+    }
+  },
+  "runArgs": [
+    "--rm",
+    "--name",
+    "${localEnv:USER:anon}-rapids-${localWorkspaceFolderBasename}-25.02-cuda11.8-pip"
+  ],
+  "hostRequirements": {"gpu": "optional"},
+  "features": {
+    "ghcr.io/rapidsai/devcontainers/features/cuda:25.2": {
+      "version": "11.8",
+      "installcuBLAS": true,
+      "installcuSOLVER": true,
+      "installcuRAND": true,
+      "installcuSPARSE": true
+    },
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils:25.2": {}
+  },
+  "overrideFeatureInstallOrder": [
+    "ghcr.io/rapidsai/devcontainers/features/cuda",
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils"
+  ],
+  "initializeCommand": ["/bin/bash", "-c", "mkdir -m 0755 -p ${localWorkspaceFolder}/../.{aws,cache,config/pip,local/share/${localWorkspaceFolderBasename}-cuda11.8-venvs}"],
+  "postAttachCommand": ["/bin/bash", "-c", "if [ ${CODESPACES:-false} = 'true' ]; then . devcontainer-utils-post-attach-command; . rapids-post-attach-command; fi"],
+  "workspaceFolder": "/home/coder",
+  "workspaceMount": "source=${localWorkspaceFolder},target=/home/coder/cugraph-gnn,type=bind,consistency=consistent",
+  "mounts": [
+    "source=${localWorkspaceFolder}/../.aws,target=/home/coder/.aws,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.cache,target=/home/coder/.cache,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.config,target=/home/coder/.config,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.local/share/${localWorkspaceFolderBasename}-cuda11.8-venvs,target=/home/coder/.local/share/venvs,type=bind,consistency=consistent"
+  ],
+  "customizations": {
+    "vscode": {
+      "extensions": [
+        "ms-python.flake8",
+        "nvidia.nsight-vscode-edition"
+      ]
+    }
+  }
+}

.devcontainer/cuda12.8-conda/devcontainer.json

@@ -0,0 +1,42 @@
+{
+  "build": {
+    "context": "${localWorkspaceFolder}/.devcontainer",
+    "dockerfile": "${localWorkspaceFolder}/.devcontainer/Dockerfile",
+    "args": {
+      "CUDA": "12.8",
+      "PYTHON_PACKAGE_MANAGER": "conda",
+      "BASE": "rapidsai/devcontainers:25.02-cpp-mambaforge-ubuntu22.04"
+    }
+  },
+  "runArgs": [
+    "--rm",
+    "--name",
+    "${localEnv:USER:anon}-rapids-${localWorkspaceFolderBasename}-25.02-cuda12.8-conda"
+  ],
+  "hostRequirements": {"gpu": "optional"},
+  "features": {
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils:25.2": {}
+  },
+  "overrideFeatureInstallOrder": [
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils"
+  ],
+  "initializeCommand": ["/bin/bash", "-c", "mkdir -m 0755 -p ${localWorkspaceFolder}/../.{aws,cache,config,conda/pkgs,conda/${localWorkspaceFolderBasename}-cuda12.8-envs}"],
+  "postAttachCommand": ["/bin/bash", "-c", "if [ ${CODESPACES:-false} = 'true' ]; then . devcontainer-utils-post-attach-command; . rapids-post-attach-command; fi"],
+  "workspaceFolder": "/home/coder",
+  "workspaceMount": "source=${localWorkspaceFolder},target=/home/coder/cugraph-gnn,type=bind,consistency=consistent",
+  "mounts": [
+    "source=${localWorkspaceFolder}/../.aws,target=/home/coder/.aws,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.cache,target=/home/coder/.cache,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.config,target=/home/coder/.config,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.conda/pkgs,target=/home/coder/.conda/pkgs,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.conda/${localWorkspaceFolderBasename}-cuda12.8-envs,target=/home/coder/.conda/envs,type=bind,consistency=consistent"
+  ],
+  "customizations": {
+    "vscode": {
+      "extensions": [
+        "ms-python.flake8",
+        "nvidia.nsight-vscode-edition"
+      ]
+    }
+  }
+}

.devcontainer/cuda12.8-pip/devcontainer.json

@@ -0,0 +1,49 @@
+{
+  "build": {
+    "context": "${localWorkspaceFolder}/.devcontainer",
+    "dockerfile": "${localWorkspaceFolder}/.devcontainer/Dockerfile",
+    "args": {
+      "CUDA": "12.8",
+      "PYTHON_PACKAGE_MANAGER": "pip",
+      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda12.8-ucx1.18.0-openmpi-ubuntu22.04"
+    }
+  },
+  "runArgs": [
+    "--rm",
+    "--name",
+    "${localEnv:USER:anon}-rapids-${localWorkspaceFolderBasename}-25.02-cuda12.8-pip"
+  ],
+  "hostRequirements": {"gpu": "optional"},
+  "features": {
+    "ghcr.io/rapidsai/devcontainers/features/cuda:25.2": {
+      "version": "12.8",
+      "installcuBLAS": true,
+      "installcuSOLVER": true,
+      "installcuRAND": true,
+      "installcuSPARSE": true
+    },
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils:25.2": {}
+  },
+  "overrideFeatureInstallOrder": [
+    "ghcr.io/rapidsai/devcontainers/features/cuda",
+    "ghcr.io/rapidsai/devcontainers/features/rapids-build-utils"
+  ],
+  "initializeCommand": ["/bin/bash", "-c", "mkdir -m 0755 -p ${localWorkspaceFolder}/../.{aws,cache,config/pip,local/share/${localWorkspaceFolderBasename}-cuda12.8-venvs}"],
+  "postAttachCommand": ["/bin/bash", "-c", "if [ ${CODESPACES:-false} = 'true' ]; then . devcontainer-utils-post-attach-command; . rapids-post-attach-command; fi"],
+  "workspaceFolder": "/home/coder",
+  "workspaceMount": "source=${localWorkspaceFolder},target=/home/coder/cugraph-gnn,type=bind,consistency=consistent",
+  "mounts": [
+    "source=${localWorkspaceFolder}/../.aws,target=/home/coder/.aws,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.cache,target=/home/coder/.cache,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.config,target=/home/coder/.config,type=bind,consistency=consistent",
+    "source=${localWorkspaceFolder}/../.local/share/${localWorkspaceFolderBasename}-cuda12.8-venvs,target=/home/coder/.local/share/venvs,type=bind,consistency=consistent"
+  ],
+  "customizations": {
+    "vscode": {
+      "extensions": [
+        "ms-python.flake8",
+        "nvidia.nsight-vscode-edition"
+      ]
+    }
+  }
+}

.github/copy-pr-bot.yaml

@@ -2,3 +2,4 @@
 # https://docs.gha-runners.nvidia.com/apps/copy-pr-bot/
 
 enabled: true
+auto_sync_draft: false

.github/workflows/build.yaml

@@ -28,7 +28,7 @@ concurrency:
 jobs:
   cpp-build:
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/conda-cpp-build.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/conda-cpp-build.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
@@ -37,24 +37,36 @@ jobs:
   python-build:
     needs: [cpp-build]
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/conda-python-build.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/conda-python-build.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
       date: ${{ inputs.date }}
       sha: ${{ inputs.sha }}
+  docs-build:
+    needs: cpp-build
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      arch: "amd64"
+      branch: ${{ inputs.branch }}
+      build_type: ${{ inputs.build_type || 'branch' }}
+      container_image: "rapidsai/ci-conda:latest"
+      date: ${{ inputs.date }}
+      run_script: "ci/build_docs.sh"
+      sha: ${{ inputs.sha }}
   upload-conda:
     needs: [cpp-build, python-build]
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/conda-upload-packages.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/conda-upload-packages.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
       date: ${{ inputs.date }}
       sha: ${{ inputs.sha }}
   wheel-build-cugraph-dgl:
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/wheels-build.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/wheels-build.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
@@ -64,16 +76,17 @@ jobs:
   wheel-publish-cugraph-dgl:
     needs: wheel-build-cugraph-dgl
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/wheels-publish.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/wheels-publish.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
       sha: ${{ inputs.sha }}
       date: ${{ inputs.date }}
       package-name: cugraph-dgl
+      package-type: python
   wheel-build-cugraph-pyg:
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/wheels-build.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/wheels-build.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
@@ -83,16 +96,17 @@ jobs:
   wheel-publish-cugraph-pyg:
     needs: wheel-build-cugraph-pyg
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/wheels-publish.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/wheels-publish.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
       sha: ${{ inputs.sha }}
       date: ${{ inputs.date }}
       package-name: cugraph-pyg
+      package-type: python
   wheel-build-pylibwholegraph:
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/wheels-build.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/wheels-build.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
@@ -102,10 +116,11 @@ jobs:
   wheel-publish-pylibwholegraph:
     needs: wheel-build-pylibwholegraph
     secrets: inherit
-    uses: rapidsai/shared-workflows/.github/workflows/wheels-publish.yaml@branch-24.12
+    uses: rapidsai/shared-workflows/.github/workflows/wheels-publish.yaml@branch-25.02
     with:
       build_type: ${{ inputs.build_type || 'branch' }}
       branch: ${{ inputs.branch }}
       sha: ${{ inputs.sha }}
       date: ${{ inputs.date }}
       package-name: pylibwholegraph
+      package-type: python