mirror of https://github.com/QMCPACK/qmcpack.git
47 lines
1.1 KiB
Docker
47 lines
1.1 KiB
Docker
FROM ubuntu:22.04
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RUN export DEBIAN_FRONTEND=noninteractive &&\
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apt-get update -y &&\
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apt-get upgrade -y apt-utils &&\
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apt-get install -y gpg wget
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# Dependencies
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RUN wget https://apt.kitware.com/kitware-archive.sh &&\
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sh kitware-archive.sh
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RUN export DEBIAN_FRONTEND=noninteractive &&\
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apt-get install gcc g++ \
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python3 \
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cmake \
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ninja-build \
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libboost-all-dev \
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git \
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libhdf5-serial-dev \
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hdf5-tools \
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libfftw3-dev \
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libopenblas-openmp-dev \
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libxml2-dev \
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sudo \
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curl \
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rsync \
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wget \
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software-properties-common \
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vim \
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-y
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# add the latest clang development
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RUN wget -O - https://apt.llvm.org/llvm-snapshot.gpg.key| apt-key add - &&\
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apt-add-repository 'deb http://apt.llvm.org/jammy/ llvm-toolchain-jammy-16 main'
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RUN apt-get update -y &&\
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apt-get install clang-16 clang-tools-16 libomp-16-dev -y
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# must add a user different from root
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# to run MPI executables
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RUN useradd -ms /bin/bash user
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# allow in sudoers to install packages
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RUN adduser user sudo
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RUN echo "user:user" | chpasswd
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USER user
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WORKDIR /home/user
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