singularity.def

Bootstrap: docker
From: nvidia/cuda:10.2-devel-ubuntu18.04

%environment
    # all env variables defined in "post" section is lost at runtime. re-defined here.
    export LC_ALL="C.UTF-8"
    export LANG="C.UTF-8"
        # needed to execute pipenv and some module in venv
    export PYENV_ROOT="/.pyenv"
    export PATH="/.pyenv/bin:${PATH}"
        # needed to use pyenv
    export PIPENV_VENV_IN_PROJECT=true
        # modules specified by pipenv is stored under raptgen.git (this makes it easy to delete modules)

%post
    # env variables used in “post”
    export PYENV_ROOT="/.pyenv"
    export PATH="/.pyenv/bin:${PATH}"
        # specify which pyenv executable to use
    export PIP_NO_CACHE_DIR=false
        # needed to deal with the problem of MemoryError when loading torch module

    # dependancy
    apt-get update && apt-get upgrade -y
    apt-get install -y libcairo2 build-essential libbz2-dev libdb-dev  \
        libreadline-dev libffi-dev libgdbm-dev liblzma-dev   libncursesw5-dev \
        libsqlite3-dev libssl-dev zlib1g-dev uuid-dev python3 python3-dev curl git wget
    
    # get pyenv in container filesystem
    git clone "https://github.com/yyuu/pyenv.git" "/.pyenv" # stored in /.pyenv

    # change the version of python3 from “system” to 3.7.11
    eval "$(pyenv init --path)"
    eval "$(pyenv init -)"
    eval "$(pyenv virtualenv-init -)"
    pyenv install 3.7.11
    pyenv global 3.7.11
        # default pip is changed to pip 20.1.1 (binary stored under /.pyenv)

    # get pipenv
    pip install pipenv # stored under /.pyenv

%runscript
    # some env variables are added when command "run" is specified
    export TEMP_DIR="${HOME}$(mktemp)"
        # temporal directory to git clone raptgen
    export PYTHONPATH="${TEMP_DIR}/raptgen/raptgen"
        # used to import other files in the module.

    # need to activate pyenv. After this, python 3.7.11, pip 20.1.1 and pipenv become available
    eval "$(pyenv init --path)"

    # raptgen directory have to be writable. borrow and use storage from the host
    trap "rm -rf ${TEMP_DIR}" EXIT
    mkdir -p "${TEMP_DIR}"
    cd "${TEMP_DIR}"

    # get and install raptgen. this may take few minutes.
    git clone "https://github.com/hmdlab/raptgen.git"
    cd "raptgen"
    pipenv install

    echo "[$(date)] Container for RaptGen was created"
    "$@"

%help
    usage: "singularity run SIF_FILENAME pipenv run COMMAND"
    this container has python3, pip and pipenv executables independent from the host. however, need to clone raptgen.git and install dependent python modules at runtime. this could take few minutes.
    raptgen will be installed to an temporal directory, which is deleted after COMMAND finished.