Singularity.v3.8-torch1.9.0-dj0.13.2

BootStrap: library
From: ubuntu:20.04

%labels
MAINTAINER Christoph Blessing <chris24.blessing@gmail.com>

%post
    apt update && apt install -y software-properties-common
    add-apt-repository universe

    apt update && apt install -y \
        build-essential \
        git \
        wget \
        vim \
        curl \
        zip \
        zlib1g-dev \
        unzip \
        pkg-config \
        libblas-dev \
        liblapack-dev \
        python3-tk \
        python3-wheel \
        graphviz \
        libhdf5-dev \
        python3.8 \
        python3.8-dev \
        python3.8-distutils \
        swig
    apt-get clean

    ln -s /usr/bin/python3.8 /usr/local/bin/python
    ln -s /usr/bin/python3.8 /usr/local/bin/python3

    curl https://bootstrap.pypa.io/get-pip.py -o get-pip.py
    python3.8 get-pip.py
    rm get-pip.py

    python3.8 -m pip --no-cache-dir install \
        blackcellmagic\
        pytest \
        pytest-cov \
        numpy \
        matplotlib \
        scipy \
        pandas \
        jupyter \
        scikit-learn \
        scikit-image \
        seaborn \
        graphviz \
        gpustat \
        h5py \
        gitpython \
        Pillow==8.0.1 \
        jupyterlab \
        datajoint==0.13.2
    
    python3.8 -m pip --no-cache-dir  install \
        torch==1.9.0+cu111 \
        torchvision==0.10.0+cu111 \
        torchaudio==0.9.0 \
        -f https://download.pytorch.org/whl/torch_stable.html

%environment
    export SHELL=/bin/sh

%runscript
    exec /bin/sh -c "$@"

%startscript
    jupyter lab