physicsnemo/setup/Dockerfile

FROM nvcr.io/nvidia/physicsnemo/physicsnemo:25.06

WORKDIR /global/cfs/projectdirs/atlas/joshua/GNN4Colliders

LABEL maintainer.name="Joshua Ho"
LABEL maintainer.email="ho22joshua@berkeley.edu"

ENV LANG=C.UTF-8

# Install system dependencies: vim, OpenMPI, and build tools
RUN apt-get update -qq \
 && apt-get install -y --no-install-recommends \
    wget lsb-release gnupg software-properties-common \
    vim \
    g++-11 gcc-11 libstdc++-11-dev \
    openmpi-bin openmpi-common libopenmpi-dev \
 && rm -rf /var/lib/apt/lists/*

# Install Python packages: mpi4py and jupyter
RUN pip install --no-cache-dir mpi4py jupyter uproot

# (Optional) Expose Jupyter port
EXPOSE 8888