From 5b540bea6abe2af0af691e1d8b30d6c4a08de13e Mon Sep 17 00:00:00 2001
From: Daniel Rosen <drosen@ucar.edu>
Date: Fri, 25 Sep 2026 08:40:27 -0600
Subject: [PATCH] Add CDEPS Dev Container to repo

---
 .devcontainer/ubuntu-24.04_gcc-13/Dockerfile  | 161 ++++++++++++++++++
 .devcontainer/ubuntu-24.04_gcc-13/README.md   |  77 +++++++++
 .../ubuntu-24.04_gcc-13/devcontainer.json     |  24 +++
 .devcontainer/ubuntu-24.04_gcc-13/envsetup.sh |  36 ++++
 4 files changed, 298 insertions(+)
 create mode 100644 .devcontainer/ubuntu-24.04_gcc-13/Dockerfile
 create mode 100644 .devcontainer/ubuntu-24.04_gcc-13/README.md
 create mode 100644 .devcontainer/ubuntu-24.04_gcc-13/devcontainer.json
 create mode 100644 .devcontainer/ubuntu-24.04_gcc-13/envsetup.sh

diff --git a/.devcontainer/ubuntu-24.04_gcc-13/Dockerfile b/.devcontainer/ubuntu-24.04_gcc-13/Dockerfile
new file mode 100644
index 00000000..90d159b3
--- /dev/null
+++ b/.devcontainer/ubuntu-24.04_gcc-13/Dockerfile
@@ -0,0 +1,161 @@
+FROM ubuntu:24.04
+
+# Define arguments for image
+ARG CTNR_NAME="cdepsdev_ubuntu-24.04_gcc-13" \
+    CTNR_DESCRIPTION="CDEPS development container" \
+    CTNR_VERSION="1.0.0" \
+    CTNR_USER="cdepsdev" \
+    SPACK_VERSION="v1.2.1" \
+    SPACK_REPO_VERSION="v2026.06.0"
+
+# Set system environment variables
+ENV DEBIAN_FRONTEND=noninteractive \
+    LANG=en_US.UTF-8 \
+    LANGUAGE=en_US:en \
+    LC_ALL=en_US.UTF-8
+
+# Install system packages via apt
+RUN <<INSTALL_PACKAGES
+    apt-get update
+    apt-get install -yqq \
+        automake \
+        autotools-dev \
+        build-essential \
+        bzip2 \
+        ca-certificates \
+        cmake \
+        curl \
+        file \
+        g++-13 \
+        gcc-13 \
+        gfortran-13 \
+        git \
+        gpg \
+        gzip \
+        libcurl4-gnutls-dev \
+        libjpeg-dev \
+        libssl-dev \
+        locales \
+        lsb-release \
+        m4 \
+        make \
+        openssh-client \
+        pkg-config \
+        python3 \
+        python3-dev \
+        python3-venv \
+        python3-pip \
+        sudo \
+        tar \
+        tcl-dev \
+        unzip \
+        vim \
+        wget
+    locale-gen en_US.UTF-8
+    update-locale LANG=en_US.UTF-8 LC_ALL=en_US.UTF-8
+    ln -sf gcc-13 /usr/bin/gcc
+    ln -sf g++-13 /usr/bin/g++
+    ln -sf gfortran-13 /usr/bin/gfortran
+    ln -sf python3 /usr/bin/python
+    arch=$(dpkg-architecture -qDEB_HOST_MULTIARCH)
+    find "/usr/lib/${arch}" -name "libjpeg*" \
+      -exec ln -sf {} /usr/lib/.  \;
+    apt-get clean
+INSTALL_PACKAGES
+
+# Create non-root user with sudo privileges
+ENV HOME=/home/${CTNR_USER}
+RUN <<SETUP_USER
+    groupadd ${CTNR_USER}
+    useradd -m -d ${HOME} -s /bin/bash -g ${CTNR_USER} ${CTNR_USER}
+    adduser ${CTNR_USER} sudo
+    echo '%sudo ALL=(ALL) NOPASSWD:ALL' >> /etc/sudoers
+SETUP_USER
+USER ${CTNR_USER}
+WORKDIR ${HOME}
+
+# Install spack via git clone
+ENV SPACK_ROOT=${HOME}/spack
+RUN <<INSTALL_SPACK
+    mkdir -p ${SPACK_ROOT}
+    git clone --depth=2 --branch=${SPACK_VERSION} --no-single-branch \
+      https://github.com/spack/spack.git ${SPACK_ROOT}
+    . ${SPACK_ROOT}/share/spack/setup-env.sh
+    spack repo update --tag ${SPACK_REPO_VERSION} builtin
+INSTALL_SPACK
+ENV PATH="${SPACK_ROOT}/bin:${PATH}"
+
+# Configure external spack packages
+RUN <<SPACK_PKG_EXTERNAL
+    . ${SPACK_ROOT}/share/spack/setup-env.sh
+    target=$(dpkg-architecture -qDEB_HOST_MULTIARCH | cut -d- -f1)
+    spack compiler find
+    echo "Discovering external packages, this may take a few minutes..."
+    spack external find --all
+    # Install essential packages
+    spack install gcc || exit 1
+    spack install python || exit 1
+    spack install cmake || exit 1
+SPACK_PKG_EXTERNAL
+
+# Install spack packages
+RUN <<SPACK_PKG_INSTALL
+    . ${SPACK_ROOT}/share/spack/setup-env.sh
+    spack install --fail-fast \
+        openmpi@4.1.6 \
+        esmf@8.9.0 +debug \
+        hdf5@1.14.6 +fortran \
+        netcdf-c@4.10.0 \
+        netcdf-fortran@4.6.2 \
+        parallelio@2.6.6 \
+        parallel-netcdf@1.14.1 +fortran || exit 1
+    spack clean --all
+SPACK_PKG_INSTALL
+
+# Environment setup
+ENV OPENMPI_ROOT=${HOME}/stack/openmpi \
+  ESMF_ROOT=${HOME}/stack/esmf \
+  HDF5_ROOT=${HOME}/stack/hdf5 \
+  NETCDF_ROOT=${HOME}/stack/netcdf \
+  PNETCDF_ROOT=${HOME}/stack/pnetcdf \
+  PIO_ROOT=${HOME}/stack/pio
+
+RUN <<SPACK_CREATE_VIEWS
+    . ${SPACK_ROOT}/share/spack/setup-env.sh
+    spack view -d false symlink ${OPENMPI_ROOT} openmpi
+    spack view -d false symlink ${ESMF_ROOT} esmf
+    spack view -d false symlink ${HDF5_ROOT} hdf5
+    spack view -d false symlink ${NETCDF_ROOT} netcdf-c netcdf-fortran
+    spack view -d false symlink ${PNETCDF_ROOT} parallel-netcdf
+    spack view -d false symlink ${PIO_ROOT} parallelio
+SPACK_CREATE_VIEWS
+
+# Copy user environment setup script
+COPY --chown=$CTNR_USER:$CTNR_USER --chmod=0755 envsetup.sh ${HOME}/.envsetup.sh
+
+# Source the user environment setup script
+RUN <<SETUPENV
+    tmp=$(mktemp)
+    printf '%s\n' \
+        '# Source the user environment setup script' \
+        'if [ -f "${HOME}/.envsetup.sh" ]; then' \
+        '    . "${HOME}/.envsetup.sh"' \
+        'fi' '' > "$tmp"
+    [ -f ${HOME}/.bashrc ] && cat ${HOME}/.bashrc >> "$tmp"
+    mv "$tmp" ${HOME}/.bashrc
+SETUPENV
+
+# Copy README file
+COPY --chown=$CTNR_USER:$CTNR_USER --chmod=0644 README.md ${HOME}/README.md
+
+# Default command
+CMD ["/bin/bash", "-l"]
+
+# Set environment variable for devcontainer title
+ENV DEVCONTAINER_NAME=${CTNR_NAME}
+
+# Add OCI labels for image metadata
+# https://specs.opencontainers.org/image-spec/annotations/
+LABEL org.opencontainers.image.version="${CTNR_VERSION}" \
+      org.opencontainers.image.title="${CTNR_NAME}" \
+      org.opencontainers.image.description="${CTNR_DESCRIPTION}"
diff --git a/.devcontainer/ubuntu-24.04_gcc-13/README.md b/.devcontainer/ubuntu-24.04_gcc-13/README.md
new file mode 100644
index 00000000..0a5736f7
--- /dev/null
+++ b/.devcontainer/ubuntu-24.04_gcc-13/README.md
@@ -0,0 +1,77 @@
+ # CDEPS Ubuntu 24.04 Development Container
+
+This Dev Container provides a reproducible CDEPS development environment based
+on Ubuntu 24.04, GCC / GFortran 13, an MPI library, and other packages needed
+to build CDEPS.
+
+## Prerequisites
+
+- Docker or another Docker-compatible container runtime
+- Visual Studio Code
+- The **Dev Containers** extension for Visual Studio Code
+
+Open the CDEPS repository in Visual Studio Code and run **Dev Containers:
+Reopen in Container**. The image is built from `Dockerfile` in this directory,
+and the repository is mounted at `/home/cdepsdev/CDEPS`.
+
+## Installed Toolchain
+
+The image includes the following build tools and packages:
+
+| Software | Version |
+| --- | --- |
+| GCC / G++ / GNU Fortran | 13 |
+| Spack | 1.2.1 |
+| OpenMPI | 4.1.6 |
+| ESMF | 8.9.0 |
+| HDF5 | 1.14.6 |
+| NetCDF-C | 4.10.0 |
+| NetCDF-Fortran | 4.6.2 |
+| ParallelIO | 2.6.6 |
+| Parallel-netCDF | 1.14.1 |
+
+Spack is installed at `/home/cdepsdev/spack`.
+
+## Environment
+
+The bash login shell sources `.envsetup.sh` automatically. This initializes
+Spack and loads the software stack, then sets environment variables needed
+for the CDEPS build:
+
+- CC
+- FC
+- CXX
+- CPPFLAGS
+- LDFLAGS
+- FFLAGS
+- ESMF_VERSION
+- ParallelIO_VERSION
+- PIO
+- CDEPS_CMAKE_FLAGS
+
+To reinitialize the environment in an existing shell, run:
+
+```bash
+source ~/.envsetup.sh
+```
+
+## Build CDEPS
+
+Use an out-of-source build directory. From the repository root inside the
+container:
+
+Replace CDEPS_BUILD_DIRECTORY and CDEPS_SOURCE_DIRECTORY with their
+respective locations.
+
+```bash
+mkdir -p CDEPS_BUILD_DIRECTORY
+cd CDEPS_BUILD_DIRECTORY
+cmake CDEPS_SOURCE_DIRECTORY ${CDEPS_CMAKE_FLAGS}
+make -j4 VERBOSE=1
+```
+
+To disable the bundled FoX XML library, configure with:
+
+```bash
+cmake /home/cdepsdev/CDEPS ${CDEPS_CMAKE_FLAGS} -DDISABLE_FoX=ON
+```
\ No newline at end of file
diff --git a/.devcontainer/ubuntu-24.04_gcc-13/devcontainer.json b/.devcontainer/ubuntu-24.04_gcc-13/devcontainer.json
new file mode 100644
index 00000000..fc9cbc3e
--- /dev/null
+++ b/.devcontainer/ubuntu-24.04_gcc-13/devcontainer.json
@@ -0,0 +1,24 @@
+{
+    "name": "cdepsdev_ubuntu-24.04_gcc-13",
+    "build": { "dockerfile": "Dockerfile" },
+    "customizations": {
+        "vscode": {
+            "settings": {
+                "terminal.integrated.defaultProfile.linux": "bash",
+                "terminal.integrated.profiles.linux": {
+                    "bash": {
+                        "path": "bash",
+                        "args": ["-l"]
+                    }
+                }
+            },
+            "extensions": [
+                "ms-vscode.cmake-tools",
+                "ms-vscode.cpptools",
+                "fortran-lang.modern-fortran"
+            ]
+        }
+    },
+	"workspaceMount": "source=${localWorkspaceFolder},target=/home/cdepsdev/CDEPS,type=bind,consistency=cached",
+	"workspaceFolder": "/home/cdepsdev/CDEPS"
+}
diff --git a/.devcontainer/ubuntu-24.04_gcc-13/envsetup.sh b/.devcontainer/ubuntu-24.04_gcc-13/envsetup.sh
new file mode 100644
index 00000000..300be10f
--- /dev/null
+++ b/.devcontainer/ubuntu-24.04_gcc-13/envsetup.sh
@@ -0,0 +1,36 @@
+#!/bin/bash
+
+# Spack setup
+. ${SPACK_ROOT}/share/spack/setup-env.sh
+spack load openmpi
+spack load esmf
+spack load hdf5
+spack load netcdf-c
+spack load netcdf-fortran
+spack load parallelio
+spack load parallel-netcdf
+
+# CDEPS environment variables
+export CC=mpicc
+export FC=mpifort
+export CXX=mpicxx
+export CPPFLAGS="-I/usr/include -I/usr/local/include"
+export LDFLAGS="-L/usr/lib/$(dpkg-architecture -qDEB_HOST_MULTIARCH)"
+export FFLAGS="-DCPRGNU -g -Wall -ffree-form -ffree-line-length-none -fallow-argument-mismatch"
+export ESMF_VERSION=v$(spack find --format "{version}" esmf)
+export ParallelIO_VERSION=pio$(spack find --format "{version}" parallelio)
+export PIO=$PIO_ROOT
+export CDEPS_CMAKE_FLAGS="-Wno-dev -DCMAKE_BUILD_TYPE=DEBUG -DWERROR=ON"
+
+# Print Welcome Message
+echo "Welcome to the CDEPS Development Container!"
+echo "*** ${DEVCONTAINER_NAME} ***"
+echo ""
+echo "The following packages have been pre-loaded:"
+spack find --loaded --format "{name}@{version}"
+echo ""
+echo "Build CDEPS using the following steps:"
+echo "1. Create directory: mkdir -p <build_directory> && cd <build_directory>"
+echo "2. Generate build files: cmake <source_directory> \${CDEPS_CMAKE_FLAGS}"
+echo "3. Build CDEPS: make -j 4 VERBOSE=1"
+echo ""