singularity.def

Bootstrap: docker
From: nvidia/cuda:12.4.0-devel-ubuntu22.04

%files
    ./CMakeLists.txt .
    ./pyproject.toml .
    ./LICENSE .
    ./src .

%post
    apt-get update -y
    apt-get install -y git wget
    apt-get install -y build-essential
    apt-get install -y curl 
    apt-get install -y llvm 
    apt-get install -y libhdf5-dev 
    apt-get install -y rapidjson-dev 
    apt-get install -y cmake  
    apt-get install -y libsqlite3-dev
    apt-get install -y build-essential
    apt-get install -y zlib1g-dev
    apt-get install -y libbz2-dev
    apt-get install -y libreadline-dev 
    apt-get install -y liblzma-dev

    export PYENV_ROOT=/opt/pyenv
    export PATH="/opt/pyenv/bin:$PATH"
    curl -L https://github.com/pyenv/pyenv-installer/raw/master/bin/pyenv-installer | bash

    pyenv install 3.12.4
    echo 'export PATH=/opt/pyenv/versions/3.12.4/bin/:$PATH' >> $SINGULARITY_ENVIRONMENT
    export PATH=/opt/pyenv/versions/3.12.4/bin/:$PATH
    wget https://root.cern/download/root_v6.32.02.Linux-almalinux9.4-x86_64-gcc11.4.tar.gz
    tar -xzvf root_v6.32.02.Linux-almalinux9.4-x86_64-gcc11.4.tar.gz
    rm root_v6.32.02.Linux-almalinux9.4-x86_64-gcc11.4.tar.gz
    export HOME=$PWD
    export ROOTSYS=$HOME/root

%environment
    export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$ROOTSYS/lib
    export CMAKE_PREFIX_PATH=$CMAKE_PREFIX_PATH:$ROOTSYS/cmake
    export TORCH_CUDA_ARCH_LIST="8.0 8.6 8.9 9.0+PTX"
    export PATH=$ROOTSYS/bin:$PATH

%appinstall install
    cd $HOME
    export ROOTSYS=$HOME/root
    export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$ROOTSYS/lib
    export CMAKE_PREFIX_PATH=$CMAKE_PREFIX_PATH:$ROOTSYS/cmake
    export TORCH_CUDA_ARCH_LIST="8.0 8.6 8.9 9.0+PTX"
    export PATH=$ROOTSYS/bin:$PATH
    pip install -v .
    pip install -v .

%runscript studies
    echo "Argument: $*"

%runscript model
    echo "Argument: $*"