Dockerfile.LR

# This Docker file builds the image with Arnoldi LR-MCTDHB
# CAREFUL!!! it downloads and installs MKL, PARPACK from official sites
# 4.5 GB is the size of the final image: 3.9 GB - MKL...
# Start with Ubuntu base image
#==============Usage ===================================
# Build image from sctatch takes about 14min
#  time docker build --no-cache -f Dockerfile.LR -t lr-mctdhb . 
# 

FROM mctdhb/minunix:latest
MAINTAINER  Alexej I. Streltsov  <u128str@gmail.com>

ENV MKL_PATH=/opt/intel

# Using yun-idc mirror
# RUN sed -i 's/http:\/\/archive\.ubuntu\.com/http:\/\/mirrors\.yun-idc\.com/g' /etc/apt/sources.list

# Install MKL dependency packages
RUN apt-get update && \
  apt-get install -y man tar wget cpio unzip autoconf

# Install MKL
RUN cd /tmp && \
# Download MKL install package
  wget -q http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/12070/l_mkl_2018.0.128.tgz && \
# Install MKL
  tar -xzf l_mkl_2018.0.128.tgz  && cd l_mkl_2018.0.128  && \
  sed -i 's/ACCEPT_EULA=decline/ACCEPT_EULA=accept/g' silent.cfg && \
  ./install.sh -s silent.cfg && \
# Clean up
  cd ..  
# && rm -rf *

RUN   wget https://github.com/opencollab/arpack-ng/archive/master.zip && \
   unzip master.zip && \
   cd arpack-ng-master &&\ 
   sh bootstrap && \
  ./configure  --enable-mpi && \
   make &&\ 
   make install


# Add to path
# ENV PATH ${CUDA_PATH}/bin:${PATH}
# Configure dynamic link
RUN echo "${MKL_PATH}/mkl/lib/intel64" >> /etc/ld.so.conf.d/intel.conf && ldconfig && \
    echo ". /opt/intel/bin/compilervars.sh intel64" >> /etc/bash.bashrc

ENV MKLROOT ${MKL_PATH}/mkl

##COPY ./MCTDHB_V3.3.03  /mctdhb
RUN mkdir -p /mctdhb
COPY .  /mctdhb
#WORKDIR /mctdhb
RUN  cd /mctdhb && make mk_file=ARNOLDI_gcc_mkl.mk
RUN mkdir -p /TEST
ADD Templates/LR-arnoldi-1D-him /TEST/LR-arnoldi-1D-him
ADD Templates/LR-arnoldi-1D-contact /TEST/LR-arnoldi-1D-contact
#WORKDIR /TEST