add devcontainers (#79)

Follow-up to these PRs: * rapidsai/devcontainers#417 * #68 Proposes adding devcontainers and a devcontainers CI job to the repo. ## Notes for Reviewers ### Benefits of these changes * faster and easier local development * reduced risk of changes here breaking the RAPIDS unified devcontainers maintained in https://github.com/rapidsai/devcontainers Similar to rapidsai/nx-cugraph#25 ### How I made these changes Copied the `.devcontainer/` directory from https://github.com/rapidsai/cugraph, then just changed `cugraph` references to `cugraph-gnn`. ### How I tested this Tested the `update-version.sh` changes like this: ```shell ./ci/release/update-version.sh '25.04.00' git grep -E '25\.[0-9]+' ``` Authors: - James Lamb (https://github.com/jameslamb) Approvers: - Bradley Dice (https://github.com/bdice) URL: #79
rapidsai · Dec 3, 2024 · 42c16fe · 42c16fe
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diff --git a/.devcontainer/Dockerfile b/.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"
diff --git a/.devcontainer/README.md b/.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.
diff --git a/.devcontainer/cuda11.8-conda/devcontainer.json b/.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"
+      ]
+    }
+  }
+}
diff --git a/.devcontainer/cuda11.8-pip/devcontainer.json b/.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-ucx1.17.0-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/${localWorkspaceFolderBasename}-cuda11.8-venvs,target=/home/coder/.local/share/venvs,type=bind,consistency=consistent"
+  ],
+  "customizations": {
+    "vscode": {
+      "extensions": [
+        "ms-python.flake8",
+        "nvidia.nsight-vscode-edition"
+      ]
+    }
+  }
+}
diff --git a/.devcontainer/cuda12.5-conda/devcontainer.json b/.devcontainer/cuda12.5-conda/devcontainer.json
@@ -0,0 +1,42 @@
+{
+  "build": {
+    "context": "${localWorkspaceFolder}/.devcontainer",
+    "dockerfile": "${localWorkspaceFolder}/.devcontainer/Dockerfile",
+    "args": {
+      "CUDA": "12.5",
+      "PYTHON_PACKAGE_MANAGER": "conda",
+      "BASE": "rapidsai/devcontainers:25.02-cpp-mambaforge-ubuntu22.04"
+    }
+  },
+  "runArgs": [
+    "--rm",
+    "--name",
+    "${localEnv:USER:anon}-rapids-${localWorkspaceFolderBasename}-25.02-cuda12.5-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}-cuda12.5-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}-cuda12.5-envs,target=/home/coder/.conda/envs,type=bind,consistency=consistent"
+  ],
+  "customizations": {
+    "vscode": {
+      "extensions": [
+        "ms-python.flake8",
+        "nvidia.nsight-vscode-edition"
+      ]
+    }
+  }
+}
diff --git a/.devcontainer/cuda12.5-pip/devcontainer.json b/.devcontainer/cuda12.5-pip/devcontainer.json
@@ -0,0 +1,49 @@
+{
+  "build": {
+    "context": "${localWorkspaceFolder}/.devcontainer",
+    "dockerfile": "${localWorkspaceFolder}/.devcontainer/Dockerfile",
+    "args": {
+      "CUDA": "12.5",
+      "PYTHON_PACKAGE_MANAGER": "pip",
+      "BASE": "rapidsai/devcontainers:25.02-cpp-cuda12.5-ucx1.17.0-openmpi-ubuntu22.04"
+    }
+  },
+  "runArgs": [
+    "--rm",
+    "--name",
+    "${localEnv:USER:anon}-rapids-${localWorkspaceFolderBasename}-25.02-cuda12.5-pip"
+  ],
+  "hostRequirements": {"gpu": "optional"},
+  "features": {
+    "ghcr.io/rapidsai/devcontainers/features/cuda:25.2": {
+      "version": "12.5",
+      "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}-cuda12.5-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/${localWorkspaceFolderBasename}-cuda12.5-venvs,target=/home/coder/.local/share/venvs,type=bind,consistency=consistent"
+  ],
+  "customizations": {
+    "vscode": {
+      "extensions": [
+        "ms-python.flake8",
+        "nvidia.nsight-vscode-edition"
+      ]
+    }
+  }
+}
diff --git a/.github/workflows/pr.yaml b/.github/workflows/pr.yaml
@@ -13,6 +13,7 @@ jobs:
   pr-builder:
     needs:
       - changed-files
+      - devcontainer
       - checks
       - conda-cpp-build
       - conda-cpp-tests
@@ -37,7 +38,7 @@ jobs:
       files_yaml: |
         test_cpp:
           - '**'
-          - '!.devcontainers/**'
+          - '!.devcontainer/**'
           - '!CONTRIBUTING.md'
           - '!README.md'
           - '!docs/**'
@@ -48,20 +49,30 @@ jobs:
           - '!readme_pages/**'
         test_notebooks:
           - '**'
-          - '!.devcontainers/**'
+          - '!.devcontainer/**'
           - '!CONTRIBUTING.md'
           - '!README.md'
           - '!docs/**'
           - '!readme_pages/**'
         test_python:
           - '**'
-          - '!.devcontainers/**'
+          - '!.devcontainer/**'
           - '!CONTRIBUTING.md'
           - '!README.md'
           - '!docs/**'
           - '!img/**'
           - '!notebooks/**'
           - '!readme_pages/**'
+  devcontainer:
+    secrets: inherit
+    uses: rapidsai/shared-workflows/.github/workflows/[email protected]
+    with:
+      arch: '["amd64"]'
+      cuda: '["12.5"]'
+      build_command: |
+        sccache -z;
+        build-all --verbose -j$(nproc --ignore=1);
+        sccache -s;
   checks:
     secrets: inherit
     uses: rapidsai/shared-workflows/.github/workflows/[email protected]

diff --git a/ci/release/update-version.sh b/ci/release/update-version.sh
@@ -89,3 +89,11 @@ sed_runner "s/\(PROJECT_NUMBER[[:space:]]*\)=.*/\1= ${NEXT_SHORT_TAG}/" cpp/Doxy
 for FILE in .github/workflows/*.yaml; do
   sed_runner "/shared-workflows/ s/@.*/@branch-${NEXT_SHORT_TAG}/g" "${FILE}"
 done
+
+# .devcontainer files
+find .devcontainer/ -type f -name devcontainer.json -print0 | while IFS= read -r -d '' filename; do
+    sed_runner "s@rapidsai/devcontainers:[0-9.]*@rapidsai/devcontainers:${NEXT_SHORT_TAG}@g" "${filename}"
+    sed_runner "s@rapidsai/devcontainers/features/cuda:[0-9.]*@rapidsai/devcontainers/features/cuda:${NEXT_SHORT_TAG_PEP440}@" "${filename}"
+    sed_runner "s@rapidsai/devcontainers/features/rapids-build-utils:[0-9.]*@rapidsai/devcontainers/features/rapids-build-utils:${NEXT_SHORT_TAG_PEP440}@" "${filename}"
+    sed_runner "s@rapids-\${localWorkspaceFolderBasename}-[0-9.]*@rapids-\${localWorkspaceFolderBasename}-${NEXT_SHORT_TAG}@g" "${filename}"
+done
diff --git a/conda/environments/all_cuda-118_arch-x86_64.yaml b/conda/environments/all_cuda-118_arch-x86_64.yaml
@@ -19,6 +19,7 @@ dependencies:
 - dask-cudf==25.2.*,>=0.0.0a0
 - dglteam/label/th23_cu118::dgl>=2.4.0.th23.cu*
 - doxygen
+- gcc_linux-64=11.*
 - graphviz
 - ipython
 - nbconvert
@@ -29,6 +30,7 @@ dependencies:
 - numba>=0.57
 - numpy>=1.23,<3.0a0
 - numpydoc
+- nvcc_linux-64=11.8
 - ogb
 - pandas
 - pre-commit

diff --git a/conda/environments/all_cuda-121_arch-x86_64.yaml b/conda/environments/all_cuda-121_arch-x86_64.yaml
@@ -10,6 +10,7 @@ dependencies:
 - breathe
 - cmake>=3.26.4,!=3.30.0
 - cuda-cudart-dev
+- cuda-nvcc
 - cuda-nvml-dev
 - cuda-nvtx-dev
 - cuda-profiler-api
@@ -21,6 +22,7 @@ dependencies:
 - dask-cudf==25.2.*,>=0.0.0a0
 - dglteam/label/th23_cu121::dgl>=2.4.0.th23.cu*
 - doxygen
+- gcc_linux-64=11.*
 - graphviz
 - ipython
 - libcublas-dev

diff --git a/conda/environments/all_cuda-124_arch-x86_64.yaml b/conda/environments/all_cuda-124_arch-x86_64.yaml
@@ -10,6 +10,7 @@ dependencies:
 - breathe
 - cmake>=3.26.4,!=3.30.0
 - cuda-cudart-dev
+- cuda-nvcc
 - cuda-nvml-dev
 - cuda-nvtx-dev
 - cuda-profiler-api
@@ -21,6 +22,7 @@ dependencies:
 - dask-cudf==25.2.*,>=0.0.0a0
 - dglteam/label/th23_cu121::dgl>=2.4.0.th23.cu*
 - doxygen
+- gcc_linux-64=11.*
 - graphviz
 - ipython
 - libcublas-dev