mirror of
https://github.com/mveril/qp-demo
synced 2024-12-31 16:45:55 +01:00
59 lines
2.3 KiB
Docker
59 lines
2.3 KiB
Docker
# For help about how Dockerfiles work, see https://docs.docker.com/engine/reference/builder
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# This image is based from Ubuntu LTS
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FROM ubuntu:latest
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LABEL version="0.1" \
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maintainer.name="Mickaël Véril" \
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maintainer.email="" \
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quantum_package.author.name="Anthony Scemama" \
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quantum_package.author.email="" \
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quantum_package.url="https://quantumpackage.github.io/qp2" \
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quantum_package.repo="https://github.com/QuantumPackage/qp2" \
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laboratory.name="Laboratoire de Chimie et Physique Quantique (LCPQ)" \
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laboratory.url="http://www.lcpq.ups-tlse.fr/"
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# Build argument (can be changed at build time see buiild.sh for an example)
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# This argument define the user name
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ARG user=user
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# This argument define timezone for tzdata requierd by qp_run
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ARG tz=Etc/UTC
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# We could add another argument to configure the language of the image
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# Install all requierd packages
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RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install apt-utils -y
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RUN DEBIAN_FRONTEND=noninteractive apt-get install \
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# Git for download quantum package
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git \
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# All necessary packages to compile and run quantum package
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curl wget python gfortran gcc g++ build-essential unzip liblapack-dev pkg-config autoconf zlib1g zlib1g-dev tzdata libgmp-dev \
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# Other packages for user usage
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htop vim emacs screen tmux less man -y
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# Reconfigure tzdata with the good timezone
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RUN echo $tz > /etc/timezone
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RUN rm -rf /etc/localtime
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RUN dpkg-reconfigure -f noninteractive tzdata
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# ADD user and switch to this user
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RUN adduser --disabled-password --gecos '' $user
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USER $user
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# I don't know why but the USER environment variable is not set so I set it because it's requested for ninja
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ENV USER=$user
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# Go to home
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WORKDIR /home/$user
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# Download quantum package
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RUN git clone https://github.com/QuantumPackage/qp2
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# Go to quantum package
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WORKDIR /home/$user/qp2
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# Configure
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RUN TRAVIS=1 ./configure -i all -c config/gfortran.cfg
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# source don't work with /bin/sh (used by the run command so I use bash)
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# Compile the code
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RUN /bin/bash -c "source quantum_package.rc ; ninja"
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# Run tests
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RUN /bin/bash -c "source quantum_package.rc ; qp_test -a"
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# Return to the user directory
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WORKDIR /home/$user/
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RUN echo "set -g default-command /home/$user/qp2/bin/qpsh" >> .tmux.conf
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RUN echo "shell \"/home/$user/qp2/bin/qpsh\"" >> .screenrc
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# start a qp shell when run
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CMD ["./qp2/bin/qpsh"]
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