Dockerfile.intel-impi-dev

# syntax=docker/dockerfile:experimental
FROM jcsda/docker_base-intel-impi-dev:latest
LABEL maintainer "Maryam Abdi-Oskouei <maryamao@ucar.edu>"

#-------------------------------------------------------------
# From Intel's os-tools-ubuntu20 Dockerfile
# Copyright (c) 2019-2020 Intel Corporation.
# SPDX-License-Identifier: BSD-3-Clause

ARG DEBIAN_FRONTEND=noninteractive
ARG APT_KEY_DONT_WARN_ON_DANGEROUS_USAGE=1

# install OS tools
RUN apt-get update -y && \
    apt-get install -y --no-install-recommends -o=Dpkg::Use-Pty=0 \
    # make
    build-essential \
    # library helper
    pkg-config \
    cmake \
    ca-certificates \
    gnupg

# add apt repo public key
ARG url=https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
ADD $url /
RUN file=$(basename "$url") && \
    apt-key add "$file" && \
    rm "$file"

# configure the repository
ARG apt_repo=https://apt.repos.intel.com/oneapi
RUN echo "deb $apt_repo all main" > /etc/apt/sources.list.d/oneAPI.list

#-------------------------------------------------------------
# From Intel's hpckit-ubuntu20 Dockerfile
# Copyright (c) 2019-2020 Intel Corporation.
# SPDX-License-Identifier: BSD-3-Clause

# requires oneapi-basekit image, assumes oneapi apt repo is configured
# install Intel(R) oneAPI HPC Toolkit
RUN apt-get update -y && \
    apt-get install -y --no-install-recommends -o=Dpkg::Use-Pty=0 \
    intel-hpckit-getting-started \
    intel-oneapi-clck \
    intel-oneapi-common-licensing \
    intel-oneapi-common-vars \
    intel-oneapi-dev-utilities \
    intel-oneapi-dpcpp-cpp-compiler-pro \
    intel-oneapi-ifort \
    intel-oneapi-inspector \
    intel-oneapi-itac \
    intel-oneapi-mpi-devel \
    intel-oneapi-mkl-devel \
    --

RUN echo "if [ -z \"$INTEL_SH_GUARD\" ]; then" > /etc/profile.d/intel.sh \
    && echo "    source /opt/intel/oneapi/setvars.sh -i_mpi_library_kind=release_mt" >> /etc/profile.d/intel.sh \
    && echo "fi" >> /etc/profile.d/intel.sh \
    && echo "export INTEL_SH_GUARD=1" >> /etc/profile.d/intel.sh \
    && chmod a+x /etc/profile.d/intel.sh

#-------------------------------------------------------------
# Build jedi-stack
#

SHELL ["/bin/bash", "-c"]

RUN rm -f /usr/bin/gmake && \
    ln -s /usr/bin/make /usr/bin/gmake

ENV I_MPI_THREAD_SPLIT=1 \
    I_MPI_LIBRARY_KIND='release_mt' \
    CMAKE_C_COMPILER=mpiicc \
    CMAKE_CXX_COMPILER=mpiicpc \
    CMAKE_Fortran_COMPILER=mpiifort \
    CMAKE_Platform=linux.intel \
    CMAKE_PREFIX_PATH=/usr/local \
    NETCDF=/usr/local \
    CC=mpiicc \
    CXX=mpiicpc \
    FC=mpiifort \
    MPI_CC=mpiicc \
    MPI_CXX=mpiicpc \
    MPI_FC=mpiifort \
    SERIAL_CC=icc \
    SERIAL_CXX=icpc \
    SERIAL_FC=ifort \
    PNETCDF=/usr/local \
    HDF5_ROOT=/usr/local \
    PIO=/usr/local \
    BOOST_ROOT=/usr/local \
    EIGEN3_INCLUDE_DIR=/usr/local \
    PATH=/usr/local/bin:$PATH \
    LD_LIBRARY_PATH=/usr/local/lib:$LD_LIBRARY_PATH \
    LIBRARY_PATH=/usr/local/lib:$LIBRARY_PATH \
    CPATH=/usr/local/include:$CPATH \
    PYTHONPATH=/usr/local/lib:$PYTHONPATH

# Download public key for github.com
RUN mkdir -p -m 0600 ~/.ssh && \
    ssh-keyscan github.com >> ~/.ssh/known_hosts

# set up ssh authentication
RUN git config --global url.ssh://git@github.com/.insteadOf https://github.com/

# build the jedi stack
RUN --mount=type=ssh,id=github_ssh_key cd /root \
    && source /etc/profile \
    && git clone https://github.com/JCSDA-internal/jedi-stack.git \
    && cd jedi-stack/buildscripts \
    && git checkout develop \
    && ./build_stack.sh "container-intel-impi-dev" \
    && mv ../jedi-stack-contents.log /etc \
    && chmod a+r /etc/jedi-stack-contents.log \
    && cd /root/jedi-stack/pkg/NCEPLIBS-bufr/build/python \
    && python setup.py build \
    && python setup.py install --prefix=/usr/local --install-lib=/usr/local/lib/python3.8/dist-packages \
    && rm -rf /root/jedi-stack \
    && mkdir /worktmp

# build python packages for ioda converters
RUN . /etc/profile.d/intel.sh  \
    && pip install eccodes \
    && CC="mpiicc" HDF5_MPI="ON" HDF5_DIR=/usr/local pip install --no-binary=h5py h5py

# clean up
RUN . /etc/profile \
    && git config --global --unset url.ssh://git@github.com/.insteadOf \
    && rm -rf /root/.ssh

#Make a non-root user:jedi / group:jedi for running MPI
RUN useradd -U -k /etc/skel -s /bin/bash -d /home/jedi -m jedi --uid 43891 && \
    echo "export FC=mpiifort" >> ~jedi/.bashrc && \
    echo "export CC=mpiicc" >> ~jedi/.bashrc && \
    echo "export CXX=mpiicpc" >> ~jedi/.bashrc && \
    echo "export PYTHONPATH=/usr/local/lib/python3.8/site-packages:/usr/local/lib/python3.8/dist-packages:/usr/local/lib:$PYTHONPATH" >> ~jedi/.bashrc && \
    echo "ulimit -s unlimited" >> ~jedi/.bashrc && \
    echo "ulimit -v unlimited" >> ~jedi/.bashrc && \
    echo -e "[credential]\n    helper = cache --timeout=7200" >> ~jedi/.gitconfig && \
    mkdir ~jedi/.openmpi && \
    echo "rmaps_base_oversubscribe = 1" >> ~jedi/.openmpi/mca-params.conf && \
    chown -R jedi:jedi ~jedi/.gitconfig ~jedi/.openmpi

#-------------------------------------------------------------
# Charliecloud does not modify the environment variables.  So, to set
# environment variables we need to put them in an initialization script
RUN echo 'export LD_LIBRARY_PATH=/usr/local/lib' >> /etc/bash.bashrc && \
    echo 'export PATH=/usr/local/mpich/bin:$PATH' >> /etc/bash.bashrc && \
    echo 'export NETCDF=/usr/local' >> /etc/bash.bashrc && \
    echo 'export PNETCDF=/usr/local' >> /etc/bash.bashrc && \
    echo 'export PIO=/usr/local' >> /etc/bash.bashrc && \
    echo 'export BOOST_ROOT=/usr/local' >> /etc/bash.bashrc && \
    echo 'export EIGEN3_INCLUDE_DIR=/usr/local' >> /etc/bash.bashrc && \
    echo 'export PYTHONPATH=/usr/local/lib:/usr/local/lib/python3.8/site-packages:/usr/local/lib/python3.8/dist-packages:$PYTHONPATH' >> /etc/bash.bashrc && \
    echo 'export FC=mpiifort' >> /etc/bash.bashrc && \
    echo 'export CC=mpiicc' >> /etc/bash.bashrc && \
    echo 'export CXX=mpiicpc' >> /etc/bash.bashrc

VOLUME /var/lib/docker
CMD ["/bin/bash" , "-l"]