Dockerfile.gpu

# syntax=docker/dockerfile:1

FROM gitlab-registry.nrp-nautilus.io/prp/jupyter-stack/prp:latest

USER root
RUN apt-get update && \
    apt-get upgrade -qq -y && \
    apt-get install -qq -y --no-install-recommends \
    emacs \
    cmake && \
    apt-get -y autoclean && \
    apt-get -y autoremove && \
    rm -rf /var/lib/apt/lists/* && \
    rm -rf /tmp/*
ADD install_xrootd.sh install_xrootd.sh
RUN bash install_xrootd.sh && \
    rm install_xrootd.sh
ENV PATH /opt/xrootd/bin:${PATH}
ENV LD_LIBRARY_PATH /opt/xrootd/lib

USER $NB_USER
RUN mamba install xrootd cupy
COPY requirements_gpu.txt .
RUN pip install -r requirements_gpu.txt
ENV TORCH=2.0.0
ENV CUDA=cu117
RUN pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html
RUN pip install torch_geometric

USER root
RUN fix-permissions "${CONDA_DIR}" && \
    fix-permissions "/home/${NB_USER}"

USER $NB_USER
CMD [ "bash" ]