feature - adds dockerfile, helper script, build action

.github/workflows/docker.yml

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+name: Build and Test Docker Image
+
+on:
+  push:
+    branches:
+      - master
+  pull_request:
+    branches:
+      - master
+jobs:
+  build_and_test:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v4
+
+      - name: Build Docker image
+        run: docker build -t troute -f docker/Dockerfile.troute .
+
+      # To run tests in a separate job
+      # either save image artifact or upload to dockerhub
+      - name: Run LowerColorado Test
+        continue-on-error: true  # Continue with the next steps even if this step fails
+        run: docker/troute.sh -V3 -f test/LowerColorado_TX/test_AnA.yaml
+

docker/Dockerfile.troute

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+FROM rockylinux:9.2 as rocky-base
+RUN yum install -y epel-release 
+RUN yum install -y netcdf netcdf-fortran netcdf-fortran-devel netcdf-openmpi
+
+RUN yum install -y git cmake python python-devel pip 
+RUN git clone https://github.com/NOAA-OWP/t-route.git
+
+WORKDIR "/t-route/"
+
+RUN ln -s /usr/lib64/gfortran/modules/netcdf.mod /usr/include/openmpi-x86_64/netcdf.mod
+
+ENV VIRTUAL_ENV=/opt/venv
+RUN python3 -m venv $VIRTUAL_ENV
+
+# Equivalent to source /opt/venv/bin/activate
+ENV PATH="$VIRTUAL_ENV/bin:$PATH"
+
+RUN python -m pip install -r requirements.txt
+
+RUN ./compiler.sh no-e
+
+# increase max open files soft limit
+RUN ulimit -n 10000
+ENTRYPOINT ["/opt/venv/bin/python", "-m", "nwm_routing"]
+

docker/troute.sh

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+#!/bin/bash
+###################################################################################
+# Helper script that allows you to execute the docker container like
+# it was a local install of t-route e.g. 
+# ~ python -m nwm_routing -V3 -f test/LowerColorado_TX/test_AnA.yaml
+# Can be executed as
+# ~ docker/troute.sh -V3 -f test/LowerColorado_TX/test_AnA.yaml
+# Although the former would fail as you need to be in the same dir as the .yaml
+# This script mounts the .yaml directory and makes it the workdir of the container
+################################################################################### 
+
+image_name="troute"
+container_yaml_dir="/config"  # The directory in the container where the YAML file will be mounted
+yaml_file_path=""
+yaml_filename=""
+parent_folder=""
+# Loop through all arguments to find the .yaml file
+for arg in "$@"; do
+    if [[ $arg == *.yaml ]]; then
+        # Get absolute path and just the filename
+        yaml_file_path="$(realpath "$arg")"
+        yaml_filename="$(basename "$arg")"
+	parent_folder="$(dirname "$yaml_file_path")"
+        break
+    fi
+done
+
+# Check if yaml_file_path was found
+if [ -z "$yaml_file_path" ]; then
+    echo "No .yaml file provided in arguments."
+    exit 1
+fi
+
+# Uncomment to print command
+#echo "docker run -v ${parent_folder}:${container_yaml_dir}/ -w ${container_yaml_dir} ${image_name} ${@/$arg/$yaml_filename}"
+
+# Mount the YAML file, set the working directory, and run the Docker container with all arguments (replacing the full YAML path with just its filename)
+docker run -v "${parent_folder}:${container_yaml_dir}/" -w "${container_yaml_dir}" ${image_name} "${@/$arg/$yaml_filename}"
+