mirror of https://github.com/QMCPACK/qmcpack.git
71 lines
1.9 KiB
Docker
71 lines
1.9 KiB
Docker
FROM ubuntu:22.04
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RUN export DEBIAN_FRONTEND=noninteractive &&\
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apt-get clean &&\
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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-12 g++-12 \
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clang-14 \
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clang-format-14 \
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clang-tidy-14 \
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libomp-14-dev \
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gcovr \
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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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numdiff \
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-y
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# Python packages for tests
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RUN export DEBIAN_FRONTEND=noninteractive &&\
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apt-get install python3-numpy \
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python3-h5py \
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python3-pandas \
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python3-pip \
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-y
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RUN export DEBIAN_FRONTEND=noninteractive &&\
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pip3 install cif2cell
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# add gcc-12 as gcc
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RUN update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-12 100 && \
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update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-12 100
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# add clang-14 as clang
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RUN update-alternatives --install /usr/bin/clang clang /usr/bin/clang-14 100 && \
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update-alternatives --install /usr/bin/clang++ clang++ /usr/bin/clang++-14 100
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# add clang-format and clang-tidy as well as libomp
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RUN update-alternatives --install /usr/bin/clang-format clang-format /usr/bin/clang-format-14 100 && \
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update-alternatives --install /usr/bin/clang-tidy clang-tidy /usr/bin/clang-tidy-14 100 && \
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update-alternatives --install /usr/bin/clang-tidy-diff.py clang-tidy-diff.py /usr/bin/clang-tidy-diff-14.py 100
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# must add a user different from root
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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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