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FROM ubuntu:14.04 MAINTAINER Alberto Madonna <madonna@cscs.ch> LABEL com.pyfr.version="1.5.0" # Install system dependencies RUN apt-get update && apt-get install -y \ unzip \ wget \ build-essential \ gfortran-4.8 \ libopenblas-dev \ liblapack-dev \ python3-dev \ python3-pip \ libhdf5-dev \ libmpich-dev \ libmetis-dev \ --no-install-recommends && \ rm -rf /var/lib/apt/lists/* # Install gcc/g++ 4.9 (required for OpenMP 4.0) RUN apt-get update && apt-get install -y --no-install-recommends \ software-properties-common RUN add-apt-repository ppa:ubuntu-toolchain-r/test && \ apt-get update && apt-get install -y --no-install-recommends \ gcc-4.9 \ g++-4.9 && \ rm -rf /var/lib/apt/lists/* && \ update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-4.9 50 && \ update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-4.9 50 # Install CUDA Toolkit 8.0 ENV CUDA_VERSION 8.0 LABEL com.nvidia.cuda.version="8.0" RUN wget -q -O - http://developer.download.nvidia.com/compute/cuda/repos/GPGKEY | apt-key add - && \ echo "deb http://developer.download.nvidia.com/compute/cuda/repos/ubuntu1404/x86_64 /" > /etc/apt/sources.list.d/cuda.list && \ apt-get update --fix-missing ENV CUDA_PKG_VERSION 8-0=8.0.44-1 RUN apt-get update && apt-get install -y --no-install-recommends --force-yes \ cuda-core-$CUDA_PKG_VERSION \ cuda-misc-headers-$CUDA_PKG_VERSION \ cuda-command-line-tools-$CUDA_PKG_VERSION \ cuda-license-$CUDA_PKG_VERSION \ cuda-cublas-dev-$CUDA_PKG_VERSION \ cuda-curand-dev-$CUDA_PKG_VERSION \ cuda-cudart-dev-$CUDA_PKG_VERSION \ cuda-driver-dev-$CUDA_PKG_VERSION && \ ln -s cuda-$CUDA_VERSION /usr/local/cuda && \ rm -rf /var/lib/apt/lists/* RUN echo "/usr/local/cuda/lib" >> /etc/ld.so.conf.d/cuda.conf && \ echo "/usr/local/cuda/lib64" >> /etc/ld.so.conf.d/cuda.conf && \ ldconfig RUN echo "/usr/local/nvidia/lib" >> /etc/ld.so.conf.d/nvidia.conf && \ echo "/usr/local/nvidia/lib64" >> /etc/ld.so.conf.d/nvidia.conf ENV PATH /usr/local/cuda/bin:${PATH} ENV LD_LIBRARY_PATH /usr/local/nvidia/lib:/usr/local/nvidia/lib64:${LD_LIBRARY_PATH} # Create new user RUN useradd docker WORKDIR /home/docker # Install Python dependencies RUN pip3 install numpy>=1.8 \ pytools>=2016.2.1 \ mako>=1.0.0 \ mpi4py>=2.0 && \ pip3 install pycuda>=2015.1 \ h5py>=2.6.0 && \ wget -q -O GiMMiK-2.1.tar.gz https://github.com/vincentlab/GiMMiK/archive/v2.1.tar.gz && \ tar -xvzf GiMMiK-2.1.tar.gz && \ cd GiMMiK-2.1 && \ python3 setup.py install && \ cd .. && \ rm -rf GiMMiK-2.1.tar.gz GiMMiK-2.1 # Set base directory for pyCUDA cache ENV XDG_CACHE_HOME /tmp # Install PyFR RUN wget -q -O PyFR-1.5.0.zip http://www.pyfr.org/download/PyFR-1.5.0.zip && \ unzip -qq PyFR-1.5.0.zip && \ cd PyFR-1.5.0 && \ python3 setup.py install && \ cd .. && \ rm -rf PyFR-1.5.0.zip PyFR-1.5.0 RUN apt-get update && apt-get install -y --no-install-recommends mpich && \ rm -rf /var/lib/apt/lists/* #ENTRYPOINT ["pyfr"] CMD ["pyfr --help"]
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