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‎.devcontainer/Dockerfile‎

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

‎.devcontainer/README.md‎

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# cugraph-gnn Development Containers
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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).
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This container is a turnkey development environment for building and testing the cuGraph C++ and Python libraries.
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## Table of Contents
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* [Prerequisites](#prerequisites)
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* [Host bind mounts](#host-bind-mounts)
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* [Launch a Dev Container](#launch-a-dev-container)
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## Prerequisites
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* [VSCode](https://code.visualstudio.com/download)
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* [VSCode Remote Containers extension](https://marketplace.visualstudio.com/items?itemName=ms-vscode-remote.remote-containers)
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## Host bind mounts
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By default, the following directories are bind-mounted into the devcontainer:
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* `${repo}:/home/coder/cugraph-gnn`
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* `${repo}/../.aws:/home/coder/.aws`
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* `${repo}/../.local:/home/coder/.local`
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* `${repo}/../.cache:/home/coder/.cache`
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* `${repo}/../.conda:/home/coder/.conda`
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* `${repo}/../.config:/home/coder/.config`
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This ensures caches, configurations, dependencies, and your commits are persisted on the host across container runs.
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## Launch a Dev Container
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To launch a devcontainer from VSCode, open the cugraph-gnn repo and select the "Reopen in Container" button in the bottom right.
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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

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

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

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

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

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

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

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

‎.github/copy-pr-bot.yaml‎

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# https://docs.gha-runners.nvidia.com/apps/copy-pr-bot/
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enabled: true
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auto_sync_draft: false

‎.github/workflows/build.yaml‎

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

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