Add a Dockerfile

.dockerignore

@@ -0,0 +1,17 @@
+# Python-generated files
+__pycache__/
+*.py[oc]
+build/
+dist/
+wheels/
+*.egg-info
+
+# Virtual environments
+.venv
+
+temp/*
+outputs
+*_cache*
+
+# Ignore environment and config secrets
+.env

Dockerfile

@@ -0,0 +1,53 @@
+# Start from a CUDA-enabled base image with Python
+FROM nvidia/cuda:12.6.1-base-ubuntu24.04
+
+# Avoid running as root user for security
+RUN groupadd -r fullwave && useradd -m -g fullwave fullwave
+
+# Set working directory
+WORKDIR /app
+
+# Install system dependencies (build essentials, CUDA dev libs, etc.)
+RUN apt-get update && \
+    apt-get install -y --no-install-recommends \
+    python3 python3-pip python3-venv \
+    git build-essential make curl ca-certificates \
+    libgl1-mesa-dev ffmpeg libsm6 libxext6 && \
+    rm -rf /var/lib/apt/lists/*
+
+
+# ---- install uv package manager ----
+# Download the latest installer
+ADD https://astral.sh/uv/install.sh /uv-installer.sh
+
+# Run the installer then remove it
+RUN sh /uv-installer.sh && rm /uv-installer.sh
+
+# Ensure the installed binary is on the `PATH`
+ENV PATH="/root/.local/bin/:$PATH"
+ENV PATH="/app/.venv/bin:$PATH"
+
+# ----
+# RUN curl -LsSf https://astral.sh/uv/install.sh | sh
+
+COPY pyproject.toml ./
+COPY uv.lock ./
+COPY Makefile ./
+
+# Copy the project into the image
+ADD . /app
+
+# Sync the project into a new environment, asserting the lockfile is up to date
+RUN uv sync --all-extras
+
+# Install Python dependencies efficiently
+RUN uv run pre-commit install
+
+# Set permissions for non-root user
+RUN chown -R fullwave:fullwave /app
+
+# Switch to user, preserve CUDA access
+USER fullwave
+
+# Specify default runtime arguments for simulation (override as needed)
+CMD ["/bin/bash", "-c", "source /app/.venv/bin/activate && pytest"]

README.md

@@ -264,6 +264,36 @@ Please see the following examples for more advanced usage.
 - Please write clear and concise commit messages.
 - please see [CONTRIBUTING.md](CONTRIBUTING.md) for more details.
 
+### Dockerfile usage
+
+- A Dockerfile is provided for easy setup of the Fullwave 2.5 environment.
+- To build the Docker image, run the following command in the terminal from the root directory of the repository:
+
+  ```sh
+  docker build -t fullwave25:latest .
+  ```
+
+- The command below runs pytest to verify the installation inside the Docker container:
+
+  ```sh
+  docker run --gpus all fullwave25:latest
+  ```
+
+- To run a container from the built image, use the following command:
+
+  ```sh
+  docker run --gpus all -it --rm --name fullwave_container fullwave25:latest /bin/bash
+  ```
+
+- Inside the container, you can run the example simulations. For instance, to run the simple plane wave example, execute:
+
+  ```sh
+  source /app/.venv/bin/activate
+  python3 /app/examples/simple_plane_wave/simple_plane_wave.py
+  ```
+
+- For a persistent container that retains data after exiting, please refer to [Dockerdocs: Persisting container data](https://docs.docker.com/get-started/docker-concepts/running-containers/persisting-container-data/)
+
 ---
 
 ## Maintainers