devcontainer updates

.devcontainer/Dockerfile

@@ -1,16 +1,38 @@
-# See here for image contents: https://github.com/microsoft/vscode-dev-containers/tree/v0.177.0/containers/cpp/.devcontainer/base.Dockerfile
+#FROM mcr.microsoft.com/devcontainers/base:ubuntu-24.04
+ARG VARIANT="noble"
+FROM nvidia/cuda:13.2.1-devel-ubuntu24.04
+#FROM buildpack-deps:${VARIANT}-curl
 
-# [Choice] Debian / Ubuntu version: debian-10, debian-9, ubuntu-20.04, ubuntu-18.04
-ARG VARIANT="buster"
-FROM ghcr.io/psc-code/psc-spack-cuda-ubuntu-20.04:latest
+LABEL dev.containers.features="common"
 
-# [Optional] Uncomment this section to install additional packages.
-# RUN apt-get update && export DEBIAN_FRONTEND=noninteractive \
-#     && apt-get -y install --no-install-recommends <your-package-list-here>
+ARG VARIANT
+RUN if [ "$VARIANT" = "noble" ] || [ "$VARIANT" = "resolute" ]; then \
+    if id "ubuntu" &>/dev/null; then \
+        echo "Deleting user 'ubuntu'  for $VARIANT" && userdel -f -r ubuntu || echo "Failed to delete ubuntu user for $VARIANT"; \
+    else \
+         echo "User 'ubuntu' does not exist for $VARIANT"; \
+    fi; \
+    fi
 
+# [Optional] Uncomment this section to install additional OS packages.
 RUN apt-get update && export DEBIAN_FRONTEND=noninteractive \
     && apt-get -y install --no-install-recommends \
-    clang-format-9
+        git \
+        libopenmpi-dev \
+        cmake \
+		libhdf5-dev \
+		hdf5-tools \
+		less \
+		python3-pip \
+		libpython3-dev \
+		clang-format \
+		ninja-build
+
+# Local fix for issue with timezone data at 'buildpack-deps'. Ref# https://github.com/devcontainers/images/issues/1709
+RUN apt-get update \
+    && export DEBIAN_FRONTEND=noninteractive \
+    && apt-get -y reinstall --no-install-recommends tzdata \
+    && echo "Etc/UTC" > /etc/timezone \
+    && rm -rf /var/lib/apt/lists/*
 
-RUN echo export CMAKE_PREFIX_PATH=/root/psc-env/.spack-env/view >> ~/.bashrc
 

.devcontainer/devcontainer.json

@@ -1,36 +1,52 @@
-// For format details, see https://aka.ms/devcontainer.json. For config options, see the README at:
-// https://github.com/microsoft/vscode-dev-containers/tree/v0.177.0/containers/cpp
+// For format details, see https://aka.ms/devcontainer.json. For config options, see the
+// README at: https://github.com/devcontainers/templates/tree/main/src/ubuntu
 {
-	"name": "C++",
+	"name": "psc-ubuntu",
+	// Or use a Dockerfile or Docker Compose file. More info: https://containers.dev/guide/dockerfile
 	"build": {
 		"dockerfile": "Dockerfile",
-		// Update 'VARIANT' to pick an Debian / Ubuntu OS version: debian-10, debian-9, ubuntu-20.04, ubuntu-18.04
-		"args": {
-			"VARIANT": "ubuntu-20.04"
-		}
-	},
-	"runArgs": [
-		"--cap-add=SYS_PTRACE",
-		"--security-opt",
-		"seccomp=unconfined"
-	],
-	// Set *default* container specific settings.json values on container create.
-	"settings": {
-		"terminal.integrated.shell.linux": "/bin/bash"
+		"context": "."
 	},
-	// Add the IDs of extensions you want installed when the container is created.
-	"extensions": [
-		"ms-vscode.cpptools",
-		"ms-vscode.cmake-tools",
-		"xaver.clang-format",
-	],
-	"containerEnv": {
-		"CMAKE_PREFIX_PATH": "/root/psc-env/.spack-env/view",
-	},
-	// Use 'forwardPorts' to make a list of ports inside the container available locally.
+	"features": {
+        "ghcr.io/devcontainers/features/common-utils:2": {
+            "installZsh": "true",
+            "username": "vscode",
+			"userUid": "1000",
+			"userGid": "1000",
+            "upgradePackages": "true"
+        },
+		"ghcr.io/unh-hpc/features/adios2:0.0.2": {}
+
+		// "ghcr.io/rocker-org/devcontainer-features/apt-packages:1": {
+		// 	"packages": [
+		// 	]
+		// },
+
+        // "ghcr.io/devcontainers/features/git:1": {
+        //     "version": "latest",
+        //     "ppa": "false"
+        // }
+    },
+	// Feat``ures to add to the dev container. More info: https://containers.dev/features.
+`	// Use 'forwardPorts' to make a list of ports inside the container available locally.
 	// "forwardPorts": [],
 	// Use 'postCreateCommand' to run commands after the container is created.
-	// "postCreateCommand": "gcc -v",
-	// Comment out connect as root instead. More info: https://aka.ms/vscode-remote/containers/non-root.
-	// "remoteUser": "vscode"
+	//	"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",
+	"postCreateCommand": "echo export CMAKE_PREFIX_PATH=/usr/local/cuda/lib64/cmake >> ~/.bashrc",
+	//	"echo export OPENGGCMDIR=/workspaces/openggcm >> ~/.zshrc; echo PATH=$HOME/bin:$PATH >> ~/.zshrc",
+	"customizations": {
+		"vscode": {
+			"extensions": [
+				"ms-vscode.cmake-tools",
+				"ms-vscode.cpptools-extension-pack",
+				"ms-toolsai.jupyter",
+				"ms-python.python"
+			]
+		}
+	}
+
+	// Configure tool-specific properties.
+	// "customizations": {},
+	// Uncomment to connect as root instead. More info: https://aka.ms/dev-containers-non-root.
+	// "remoteUser": "root"
 }