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devcontainer: based on nvidia images
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‎.devcontainer/Dockerfile‎

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#FROM mcr.microsoft.com/devcontainers/base:ubuntu-24.04
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ARG VARIANT="noble"
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FROM nvidia/cuda:13.2.1-devel-ubuntu24.04
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#FROM buildpack-deps:${VARIANT}-curl
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LABEL dev.containers.features="common"
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ARG VARIANT
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RUN if [ "$VARIANT" = "noble" ] || [ "$VARIANT" = "resolute" ]; then \
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if id "ubuntu" &>/dev/null; then \
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echo "Deleting user 'ubuntu' for $VARIANT" && userdel -f -r ubuntu || echo "Failed to delete ubuntu user for $VARIANT"; \
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else \
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echo "User 'ubuntu' does not exist for $VARIANT"; \
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fi; \
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fi
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# [Optional] Uncomment this section to install additional OS packages.
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RUN apt-get update && export DEBIAN_FRONTEND=noninteractive \
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&& apt-get -y install --no-install-recommends \
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git \
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libopenmpi-dev \
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cmake \
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libhdf5-dev \
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hdf5-tools \
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less \
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python3-pip \
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libpython3-dev \
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clang-format \
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ninja-build
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# Local fix for issue with timezone data at 'buildpack-deps'. Ref# https://github.com/devcontainers/images/issues/1709
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RUN apt-get update \
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&& export DEBIAN_FRONTEND=noninteractive \
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&& apt-get -y reinstall --no-install-recommends tzdata \
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&& echo "Etc/UTC" > /etc/timezone \
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&& rm -rf /var/lib/apt/lists/*
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‎.devcontainer/devcontainer.json‎

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// For format details, see https://aka.ms/devcontainer.json. For config options, see the
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// README at: https://github.com/devcontainers/templates/tree/main/src/ubuntu
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{
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"name": "Ubuntu",
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"name": "psc-ubuntu",
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// Or use a Dockerfile or Docker Compose file. More info: https://containers.dev/guide/dockerfile
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"image": "mcr.microsoft.com/devcontainers/base:jammy",
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// Features to add to the dev container. More info: https://containers.dev/features.
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"build": {
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"dockerfile": "Dockerfile",
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"context": "."
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},
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"features": {
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// "ghcr.io/devcontainers/features/anaconda:1": {
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// "version": "latest"
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"ghcr.io/devcontainers/features/common-utils:2": {
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"installZsh": "true",
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"username": "vscode",
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"userUid": "1000",
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"userGid": "1000",
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"upgradePackages": "true"
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},
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// "ghcr.io/rocker-org/devcontainer-features/apt-packages:1": {
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// "packages": [
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// ]
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// },
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"ghcr.io/itsmechlark/features/act:1": {
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"version": "latest"
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},
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"ghcr.io/rocker-org/devcontainer-features/apt-packages:1": {
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"packages": [
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"csh",
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"gawk",
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"gfortran",
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"libopenmpi-dev",
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"autoconf",
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"automake",
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"libtool",
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"cmake",
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"libhdf5-dev",
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"hdf5-tools",
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"less",
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"python3-pip",
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"libpython3-dev",
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"clang-format",
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"ninja-build",
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"findent",
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"pandoc"
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]
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},
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"ghcr.io/unh-hpc/features/adios2:0.0.2": {}
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},
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// Use 'forwardPorts' to make a list of ports inside the container available locally.
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// "ghcr.io/devcontainers/features/git:1": {
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// "version": "latest",
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// "ppa": "false"
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// }
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},
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// Feat``ures to add to the dev container. More info: https://containers.dev/features.
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` // Use 'forwardPorts' to make a list of ports inside the container available locally.
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// "forwardPorts": [],
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// Use 'postCreateCommand' to run commands after the container is created.
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"postCreateCommand": "pip install uv && curl -fsSL https://nvidia.github.io/libnvidia-container/gpgkey | sudo gpg --dearmor -o /usr/share/keyrings/nvidia-container-toolkit-keyring.gpg && curl -fsSL https://nvidia.github.io/libnvidia-container/stable/deb/nvidia-container-toolkit.list | sed 's#deb https://#deb [signed-by=/usr/share/keyrings/nvidia-container-toolkit-keyring.gpg] https://#g' | sudo tee /etc/apt/sources.list.d/nvidia-container-toolkit.list > /dev/null && sudo apt-get update && sudo apt-get install -y nvidia-container-toolkit nvidia-cuda-toolkit && sudo update-alternatives --install /usr/bin/python python /usr/bin/python3 10 && echo 'export OPENGGCMDIR=/workspaces/openggcm' >> /home/vscode/.bashrc && echo 'shopt -u progcomp' >> /home/vscode/.bashrc && echo 'alias ll=\"ls -lrt\"' >> /home/vscode/.bashrc",
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// "postCreateCommand": "curl -fsSL https://nvidia.github.io/libnvidia-container/gpgkey | sudo gpg --dearmor -o /usr/share/keyrings/nvidia-container-toolkit-keyring.gpg && curl -fsSL https://nvidia.github.io/libnvidia-container/stable/deb/nvidia-container-toolkit.list | sed 's#deb https://#deb [signed-by=/usr/share/keyrings/nvidia-container-toolkit-keyring.gpg] https://#g' | sudo tee /etc/apt/sources.list.d/nvidia-container-toolkit.list > /dev/null && sudo apt-get update && sudo apt-get install -y nvidia-container-toolkit nvidia-cuda-toolkit && echo 'shopt -u progcomp' >> /home/vscode/.bashrc && echo 'alias ll=\"ls -lrt\"' >> /home/vscode/.bashrc",
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"postCreateCommand": "echo export CMAKE_PREFIX_PATH=/usr/local/cuda/lib64/cmake >> ~/.bashrc",
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// "echo export OPENGGCMDIR=/workspaces/openggcm >> ~/.zshrc; echo PATH=$HOME/bin:$PATH >> ~/.zshrc",
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"customizations": {
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"vscode": {
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"extensions": [
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"ms-vscode.cmake-tools",
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"ms-vscode.cpptools-extension-pack",
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"fortran-lang.linter-gfortran",
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"ms-toolsai.jupyter",
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"ms-python.python",
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"Github.vscode-pull-request-github",
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"tamasfe.even-better-toml",
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"charliermarsh.ruff"
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"ms-python.python"
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]
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}
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}
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// Configure tool-specific properties.
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// "customizations": {},
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// Uncomment to connect as root instead. More info: https://aka.ms/dev-containers-non-root.

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