add new combined container for compiling with GPU support.

BootStrap: docker

From: rocm/dev-ubuntu-18.04

%environment

    export PATH=/usr/local/nvidia/bin:/usr/local/cuda/bin:${PATH}:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64

    export CUDADIR=/usr/local/cuda

    export CUDA_PATH=/usr/local/cuda

    export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/nvidia/lib:/usr/local/nvidia/lib64

    export LIBRARY_PATH=/usr/local/cuda/lib64/stubs

%post

    export DEBIAN_FRONTEND=noninteractive

    wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/cuda-ubuntu1804.pin

    mv cuda-ubuntu1804.pin /etc/apt/preferences.d/cuda-repository-pin-600

    apt-key adv --fetch-keys https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/7fa2af80.pub

    add-apt-repository "deb http://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/ /"

    apt-get update

    apt-get upgrade --no-install-recommends -y

    apt-get install --no-install-recommends -y software-properties-common

    apt-get install --no-install-recommends -y \

        bc \

        build-essential \

        ccache \

        clang \

        cmake \

        cmake-curses-gui \

        cuda \

        cuda-compiler-10-2 \

        curl \

        doxygen \

        enchant \

        g++ \

        gcc \

        gfortran \

        git \

        hdf5-tools \

        kmod \

        less \

        libblas-dev \

        libeigen3-dev \

        libenchant-dev \

        libfftw3-dev \

        libgsl-dev \

        libhdf5-serial-dev \

        libhwloc-dev \

        libjpeg-dev \

        liblapack-dev \

        libomp-dev \

        libopenblas-dev \

        libnuma-dev \

        libpng-dev \

        libproj-dev \

        libvtk6-dev \

        make \

        mpi-default-bin \

        mpi-default-dev \

        ninja-build \

        python-dev \

        python-pip \

        python-pygments \

        python-virtualenv \

        python3-dev \

        python3-pip \

        python3-pkg-resources \

        python3-setuptools \

        python3-virtualenv \

        rocm-libs \

        rsync \

        ssh \

        vim-nox \

        virtualenv \

        voro++-dev \

        wget \

        xxd

    export PATH=$PATH:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64

    git clone -b master-rocm-3.3 https://github.com/ROCmSoftwarePlatform/hipCUB.git

    mkdir hipCUB/build

    cd hipCUB/build

    CXX=hcc cmake -D BUILD_TEST=off ..

    make -j4

    make package

    make install

    echo "/usr/local/nvidia/lib" >> /etc/ld.so.conf.d/nvidia.conf

    echo "/usr/local/nvidia/lib64" >> /etc/ld.so.conf.d/nvidia.conf

%environment

    LC_ALL=C

    export LC_ALL

%labels

    Author rbberger