singularity-container.def

Bootstrap: library
From: ubuntu:20.04

%post
    export LC_ALL=C
    export DEBIAN_FRONTEND=noninteractive

    apt-get update -q
    apt-get install -qy software-properties-common
    add-apt-repository universe
    apt-get update -q
    apt-get upgrade -qy
    apt-get install -y --no-install-recommends wget git ca-certificates openjdk-8-jdk-headless build-essential ninja-build \
     libssl-dev uuid-dev unzip pkg-config libomp-dev gfortran lld zlib1g-dev libxml2-dev  clang llvm virtualenv \
     python3-pip g++-8 maven cpio bison

    apt-get clean

    # -----------------------------------------------------------------------------------
    CMAKE_VERSION=3.23.1
    BUILD_DIR=$PWD/build-cmake
    mkdir -p $BUILD_DIR
    cd $BUILD_DIR
    wget -qO- https://github.com/Kitware/CMake/releases/download/v$CMAKE_VERSION/cmake-$CMAKE_VERSION.tar.gz | tar xzf - --strip-components=1
    ./bootstrap --parallel=`nproc` --generator=Ninja --no-qt-gui --prefix=/usr/local
    ninja
    ninja install
    cd $BUILD_DIR/..
    rm -rf $BUILD_DIR

    # -----------------------------------------------------------------------------------
    virtualenv /venv
    . /venv/bin/activate
    pip install -U pip
    pip install duckdb==0.2.7 matplotlib==3.4.3 numpy==1.19.2 pandas==1.3.2 seaborn==0.11.2 h5py==3.1.0  \
      keras==2.6.0 tensorflow==2.6.0

%environment
    export LC_ALL=C
    export JAVA_HOME=/usr/lib/jvm/java-8-openjdk-amd64
    export CUDA_PATH=/usr/local/cuda
    export PATH=$CUDA_PATH/bin:$JAVA_HOME/bin:$PATH
    export LD_LIBRARY_PATH=$CUDA_PATH/lib64:$LD_LIBRARY_PATH
    . /venv/bin/activate

%runscript
    exec bash -c "$@"

%labels
   AUTHOR mark@dokter.cc
   NAME CIDR2022-daphne
   URL https://github.com/damslab/reproducibility
   VERSION 3

%help
    This container is used in the reproducibility experiments for the Daphne CIDR 2022 paper submission. Visit
    https://github.com/damslab/reproducibility for further instructions.