BootStrap: docker
From: rocm/dev-ubuntu-22.04:6.1.2

%files
    conda_environment_lumi.yml /opt

%environment
    export MAMBA_ROOT_PREFIX="/opt/conda"
    export MAMBA_EXE="/usr/bin/micromamba"
    export PATH="${MAMBA_ROOT_PREFIX}/bin:$PATH"

%post
    # Version values
    # MPI on LUMI is 3.4a2
    export MPICH_VERSION=3.4.3
    export MPICH_URL="http://www.mpich.org/static/downloads/$MPICH_VERSION/mpich-$MPICH_VERSION.tar.gz"

    # Base OS
    echo -e "\e[32m + \e[39mInstalling \e[1mrequired packages\e[0m..."
    export DEBIAN_FRONTEND=noninteractive
    apt-get update
    apt-get install -y file g++ gcc gfortran make gdb strace wget curl ca-certificates build-essential
    rm -rf /var/lib/apt /var/lib/dpkg /var/lib/cache /var/lib/log

    # Install MPICH
    echo -e "\e[32m + \e[39mInstalling \e[1mMPICH ${MPICH_VERSION}\e[0m..."
    mkdir -p /tmp/mpich
    mkdir -p /opt

    cd /tmp/mpich
    wget -q $MPICH_URL -O mpich-$MPICH_VERSION.tar.gz
    tar xzf mpich-$MPICH_VERSION.tar.gz
    cd mpich-$MPICH_VERSION

    export FFLAGS=-fallow-argument-mismatch
    ./configure --enable-fast=all,O3 --prefix=/usr --with-device=ch3
    make -j$(nproc)
    make install
    ldconfig

    # Install Miniconda
    echo -e "\e[32m + \e[39mInstalling \e[1mMiniconda\e[0m..."
    mkdir -p /tmp/micromamba
    cd /tmp/micromamba
    curl -Ls https://micro.mamba.pm/api/micromamba/linux-64/latest | tar -xj -C /usr bin/micromamba
    mkdir -p /opt/conda/base

    export MAMBA_ROOT_PREFIX="/opt/conda"
    export MAMBA_EXE="/usr/bin/micromamba"

    mkdir -p "$MAMBA_ROOT_PREFIX/conda-meta"
    chmod -R a+rwx "$MAMBA_ROOT_PREFIX"

    # Create Conda environment
    echo -e "\e[32m + \e[39mCreating \e[1mConda environment\e[0m..."
    eval ${MAMBA_EXE} shell hook --shell=bash
    micromamba install -q -y -n base -f /opt/conda_environment_lumi.yml && \
    micromamba clean --all --yes

%help
    This is a container built for running FiniteVolumeGPU on LUMI-G.
    It includes MPICH and the required Conda packages.