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Add MPAS devcontainer setup
* add top-level devcontainer documentation * add devcontainer definition for ubuntu@25.10-gcc@14.3-mpich@4.3 * add Dockerfile and setup files for ubuntu@25.10-gcc@14.3-mpich@4.3
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‎.devcontainer/README.md‎

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# MPAS Dev Containers
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This directory contains the MPAS development container definitions used for local Docker workflows and VS Code Dev Containers.
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## Purpose
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Dev containers provide a reproducible environment with the compilers, MPI libraries, and scientific libraries required to build MPAS. Each container variant lives in its own directory and includes:
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- `devcontainer.json` for VS Code Dev Containers
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- `docker/` for the Dockerfile and supporting scripts
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- a README with variant-specific usage notes
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## Available Dev Containers
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Container directories are named as `<os>-<compiler>-<mpi>` so additional variants can be added without changing the layout of this directory.
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| Variant | Summary |
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|---------|---------|
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| [ubuntu@25.10-gcc@14.3-mpich@4.3](ubuntu@25.10-gcc@14.3-mpich@4.3/) | GCC 14 and MPICH 4.3 development environment with Spack-managed MPAS dependencies |
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## VS Code Usage
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Install the [Dev Containers](https://marketplace.visualstudio.com/items?itemName=ms-vscode-remote.remote-containers) extension for Visual Studio Code.
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Open the repository in VS Code, choose `Reopen in Container`, and select the desired container. The workspace is typically mounted at `/home/mpas-dev/MPAS-Model`, and the integrated terminal starts as a login shell.
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## Notes
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For background on Docker itself, see the [Docker documentation](https://docs.docker.com/).

‎.devcontainer/ubuntu@25.10-gcc@14.3-mpich@4.3/README.md‎

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docker/README.md

‎.devcontainer/ubuntu@25.10-gcc@14.3-mpich@4.3/devcontainer.json‎

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{
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"name": "MPAS Dev Container",
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"build": {
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"dockerfile": "docker/Dockerfile"
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},
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"customizations": {
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"vscode": {
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"settings": {
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"terminal.integrated.defaultProfile.linux": "bash",
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"terminal.integrated.profiles.linux": {
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"bash": {
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"path": "bash",
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"args": ["-l"]
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}
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}
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}
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}
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},
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"workspaceMount": "source=${localWorkspaceFolder},target=/home/mpas-dev/MPAS-Model,type=bind,consistency=cached",
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"workspaceFolder": "/home/mpas-dev/MPAS-Model",
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"runArgs": []
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}

‎.devcontainer/ubuntu@25.10-gcc@14.3-mpich@4.3/docker/Dockerfile‎

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FROM ubuntu:rolling
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# Set environment variables
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ENV SPACK_ROOT=/opt/spack \
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DEBIAN_FRONTEND=noninteractive
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# Install system dependencies required by spack
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RUN <<INSTALL_PACKAGES
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apt-get update
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apt-get install -yqq \
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build-essential \
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ca-certificates \
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curl \
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file \
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g++-14 \
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gcc-14 \
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gfortran-14 \
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git \
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gpg \
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gzip \
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libc6-dev \
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libcurl4-openssl-dev \
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libssl-dev \
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m4 \
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make \
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openssh-client \
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pkg-config \
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python3 \
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python3-dev \
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tar \
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unzip \
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wget \
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zlib1g-dev
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apt-get clean
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INSTALL_PACKAGES
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# Clone spack repository
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RUN <<INSTALL_SPACK
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mkdir -p ${SPACK_ROOT}
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git clone --depth=2 --branch=releases/v1.1 https://github.com/spack/spack.git ${SPACK_ROOT}
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INSTALL_SPACK
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# Set up spack environment
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ENV PATH="${SPACK_ROOT}/bin:${PATH}"
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# Install MPAS dependencies with gcc 12
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RUN <<SETUP_SPACK
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. ${SPACK_ROOT}/share/spack/setup-env.sh
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spack compiler find
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spack external find
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spack install \
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mpich@4.3%gcc \
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netcdf-c@4.9%gcc \
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netcdf-fortran@4.6%gcc \
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parallel-netcdf@1.14%gcc \
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parallelio@2.6%gcc \
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esmf@8.9%gcc
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spack clean --all
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SETUP_SPACK
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# Create environment
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RUN <<SETUP_ENV
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mkdir -p /etc/profile.d
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mkdir -p /home/mpas-dev
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SETUP_ENV
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# Copy spack setup script
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COPY --chmod=0755 mpas_spack.sh /etc/profile.d/mpas_spack.sh
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# Copy README file
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COPY --chmod=0644 README.md /home/mpas-dev/README.md
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# Set bash as default shell
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SHELL ["/bin/bash", "-c"]
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# Set working directory
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WORKDIR /home/mpas-dev
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# Default command
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CMD ["/bin/bash", "-l"]

‎.devcontainer/ubuntu@25.10-gcc@14.3-mpich@4.3/docker/README.md‎

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# MPAS Dev Container: ubuntu@25.10-gcc@14.3-mpich@4.3
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This image provides a ready-to-build MPAS development environment with GCC 14.3, MPICH 4.3, and scientific libraries installed through Spack.
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For general MPAS project information, see the [MPAS Documentation](https://www.mmm.ucar.edu/models/mpas).
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## Installed Toolchain
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The Dockerfile currently builds from `ubuntu:rolling` and installs:
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- GCC, G++, and GFortran @14.3
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- Spack @1.1
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- MPICH @4.3
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- NetCDF-C @4.9
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- NetCDF-Fortran @4.6
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- Parallel-NetCDF @1.14
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- ParallelIO @2.6
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- ESMF @8.9
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## Environment
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Start the container with `bash -l` to load the Spack-managed environment automatically.
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| Environment Variable | Description |
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|----------------------|-------------|
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| `SPACK_ROOT` | Path to the Spack installation |
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| `MPICH_ROOT` | Path to the MPICH installation |
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| `NETCDF_C_ROOT` | Path to the NetCDF C installation |
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| `NETCDF_FORTRAN_ROOT` | Path to the NetCDF Fortran installation |
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| `PARALLEL_NETCDF_ROOT` | Path to the Parallel-NetCDF installation |
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| `PARALLELIO_ROOT` | Path to the ParallelIO installation |
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| `ESMF_ROOT` | Path to the ESMF installation |
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| `LD_LIBRARY_PATH` | Library search path including installed dependencies |
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| `PNETCDF` | Path to the Parallel-NetCDF installation |
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## Docker Usage
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### Build the image
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From `.devcontainer/ubuntu@25.10-gcc@14.3-mpich@4.3/docker/`:
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```bash
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docker build -t mpasdev-ubuntu-25.10-gcc-14.3-mpich-4.3 .
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```
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### Run an interactive shell
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```bash
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docker run --rm -it mpasdev-ubuntu-25.10-gcc-14.3-mpich-4.3 bash -l
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```
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### Run an interactive shell with mounted local MPAS-Model folder
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From the repository root:
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```bash
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docker run --rm -it \
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-v "$PWD:/home/mpas-dev/MPAS-Model" \
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-w /home/mpas-dev/MPAS-Model \
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mpasdev-ubuntu-25.10-gcc-14.3-mpich-4.3 \
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bash -l
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```
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## Build MPAS
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With the repository mounted at `/home/mpas-dev/MPAS-Model`, a typical atmosphere build is:
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```bash
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make -j4 gnu CORE="atmosphere"
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```
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For other cores, replace `CORE` value with `init_atmosphere`, `ocean`, `landice`, or `seaice`.
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## Troubleshooting
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**Environment variables are missing**
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Start a login shell with `bash -l` so `/etc/profile.d/mpas_spack.sh` is sourced.
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**The container exits immediately**
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Run an interactive shell, `-it`.
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**Docker is using too much disk space**
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Inspect usage with `docker system df` and remove unused images or containers with `docker system prune`.

‎.devcontainer/ubuntu@25.10-gcc@14.3-mpich@4.3/docker/mpas_spack.sh‎

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#!/bin/bash
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. ${SPACK_ROOT}/share/spack/setup-env.sh
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spack load cmake
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spack load mpich
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spack load netcdf-c
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spack load netcdf-fortran
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spack load parallel-netcdf
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spack load parallelio
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spack load esmf
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export MPICH_ROOT=$(spack location -i mpich)
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export NETCDF_C_ROOT=$(spack location -i netcdf-c)
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export NETCDF_FORTRAN_ROOT=$(spack location -i netcdf-fortran)
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export PARALLEL_NETCDF_ROOT=$(spack location -i parallel-netcdf)
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export PARALLELIO_ROOT=$(spack location -i parallelio)
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export ESMF_ROOT=$(spack location -i esmf)
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export LD_LIBRARY_PATH=${MPICH_ROOT}/lib:${LD_LIBRARY_PATH}
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export LD_LIBRARY_PATH=${NETCDF_C_ROOT}/lib:${LD_LIBRARY_PATH}
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export LD_LIBRARY_PATH=${NETCDF_FORTRAN_ROOT}/lib:${LD_LIBRARY_PATH}
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export LD_LIBRARY_PATH=${PARALLEL_NETCDF_ROOT}/lib:${LD_LIBRARY_PATH}
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export LD_LIBRARY_PATH=${PARALLELIO_ROOT}/lib:${LD_LIBRARY_PATH}
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export LD_LIBRARY_PATH=${ESMF_ROOT}/lib:${LD_LIBRARY_PATH}
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export PNETCDF=${PARALLEL_NETCDF_ROOT}

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