FROM ubuntu:jammy-20260217

ENV DEBIAN_FRONTEND=noninteractive

RUN apt-get update && \
    apt-get install -y --no-install-recommends build-essential nvidia-cuda-toolkit && \
    rm -rf /var/lib/apt/lists/*

# Ensure nvcc from CUDA toolkit is in PATH
ENV PATH=/usr/local/cuda/bin:${PATH}
ENV LD_LIBRARY_PATH=/usr/local/cuda/lib64

WORKDIR /workspace

COPY . /workspace

RUN set -eux; \
    cd src/13-md/whole-code && make -f makefile; \
    cd ../force-only && make -f makefile; \
    cd ../cpp && make -f makefile

CMD ["/bin/bash"]