PRESNER.def

Bootstrap: docker
From: nvidia/cuda:11.2.2-cudnn8-runtime-ubuntu20.04

%environment
        export PYTHONPATH=/opt/Utils:$PYTHONPATH

%files
        get-pip.py
        PRESNER.def
        requirements.txt
        PRESNER_dir/* /opt/

%post
        export DEBIAN_FRONTEND=noninteractive && apt-get update && \
        apt-get install -y --no-install-recommends python3.9 python3-distutils libgomp1 && \
        update-alternatives --install /usr/bin/python3 python3 /usr/bin/python3.9 1 && \
        python3 get-pip.py && rm get-pip.py && apt-get clean && apt-get autoremove -y && rm -rf /var/lib/apt/lists/* && \
        pip install --no-cache-dir -r requirements.txt -f https://download.pytorch.org/whl/cu111/torch_stable.html

%runscript
        if [ "$1" = "notebook" ]; then
                shift
                jupyter notebook --no-browser "$@"
        else
                python3 /opt/PRESNER.py "$@"
        fi