mirror of
https://github.com/mveril/qp-demo
synced 2024-07-22 18:57:32 +02:00
61 lines
2.3 KiB
Docker
61 lines
2.3 KiB
Docker
# For help about how Dockerfiles work, see https://docs.docker.com/engine/reference/builder
|
|
|
|
# This image is based from Ubuntu LTS
|
|
FROM ubuntu:latest
|
|
LABEL version="0.1" \
|
|
maintainer.name="Mickaël Véril" \
|
|
maintainer.email="" \
|
|
quantum_package.author.name="Anthony Scemama" \
|
|
quantum_package.author.email="" \
|
|
quantum_package.url="https://quantumpackage.github.io/qp2" \
|
|
quantum_package.repo="https://github.com/QuantumPackage/qp2" \
|
|
laboratory.name="Laboratoire de Chimie et Physique Quantique (LCPQ)" \
|
|
laboratory.url="http://www.lcpq.ups-tlse.fr/"
|
|
# Build argument (can be changed at build time see buiild.sh for an example)
|
|
# This argument define the user name
|
|
ARG user=user
|
|
# This argument define timezone for tzdata requierd by qp_run
|
|
ARG tz=Etc/UTC
|
|
# We could add another argument to configure the language of the image
|
|
# Install all requierd packages
|
|
RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install apt-utils -y
|
|
RUN DEBIAN_FRONTEND=noninteractive apt-get install \
|
|
# Git for download quantum package
|
|
git \
|
|
# All necessary packages to compile and run quantum package
|
|
curl wget python gfortran gcc g++ build-essential unzip liblapack-dev pkg-config autoconf zlib1g zlib1g-dev tzdata libgmp-dev \
|
|
# Other packages for user usage
|
|
htop vim emacs screen tmux less man -y
|
|
# Reconfigure tzdata with the good timezone
|
|
RUN echo $tz > /etc/timezone
|
|
RUN rm -rf /etc/localtime
|
|
RUN dpkg-reconfigure -f noninteractive tzdata
|
|
# ADD user and switch to this user
|
|
RUN adduser --disabled-password --gecos '' $user
|
|
USER $user
|
|
# I don't know why but the USER environment variable is not set so I set it because it's requested for ninja
|
|
ENV USER=$user
|
|
# Go to home
|
|
WORKDIR /home/$user
|
|
# Download quantum package
|
|
RUN git clone https://github.com/QuantumPackage/qp2
|
|
# Go to quantum package
|
|
WORKDIR /home/$user/qp2
|
|
# Configure
|
|
RUN TRAVIS=1 ./configure -i all -c config/gfortran.cfg
|
|
# source don't work with /bin/sh (used by the run command so I use bash)
|
|
# Compile the code
|
|
RUN /bin/bash -c "source quantum_package.rc ; ninja"
|
|
# Run tests
|
|
RUN /bin/bash -c "source quantum_package.rc ; qp_test -a"
|
|
# Return to the user directory
|
|
WORKDIR /home/$user/
|
|
# Add source to bashrc
|
|
RUN echo "source /home/$user/quantum_package/quantum_package.rc" >> ~/.bashrc
|
|
## start a login shell when run
|
|
#CMD ["/bin/bash","--login"]
|
|
# start a qpsh when run
|
|
CMD ["/bin/bash","--login", "-c", "qpsh"]
|
|
|
|
|