Implement multi-stage-build

.gitignore

@@ -1 +0,0 @@
-quantum_package_static.tar.gz

Dockerfile

@@ -1,8 +1,39 @@
 # For help about how Dockerfiles work, see https://docs.docker.com/engine/reference/builder
 
+FROM ubuntu:20.04 AS builder
+# Build argument (can be changed at build time
+# This argument define timezone for tzdata requierd by qp_run
+ARG tz=Etc/UTC
+# enable manpages installation
+RUN sed -i 's,^path-exclude=/usr/share/man/,#path-exclude=/usr/share/man/,' /etc/dpkg/dpkg.cfg.d/excludes
+# Install all requierd packages
+RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install apt-utils -y \
+# 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 libgmp-dev \
+-y
+# Add user and switch to this user
+RUN adduser --disabled-password --gecos '' builder
+USER builder
+# 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=builder
+# Go to home
+WORKDIR /home/builder
+# Download quantum package
+RUN git clone  --depth 1 --branch 2.1.2 https://github.com/QuantumPackage/qp2
+# Go to quantum package
+WORKDIR /home/builder/qp2
+# Configure
+RUN ./configure -i all -c config/gfortran_avx.cfg
+# source don't work with /bin/sh (used by the run command so I use bash)
+# Compile the code to a static build
+RUN /bin/bash -c "source quantum_package.rc ; qp export_as_tgz"
+
+
 # This image is based from Ubuntu LTS
 FROM ubuntu:20.04
-LABEL version="1.0" \
+LABEL version="1.1" \
 maintainer.name="Mickaël Véril" \
 quantum_package.author.name="Anthony Scemama" \
 quantum_package.url="https://quantumpackage.github.io/qp2" \
@@ -26,19 +57,19 @@ apt-get autoremove && apt-get clean
 # Reconfigure tzdata with the good timezone
 RUN echo $tz > /etc/timezone && rm -rf /etc/localtime && echo "set mouse=" > ~/.vimrc
 RUN dpkg-reconfigure -f noninteractive tzdata
-# ADD user and switch to this user
+# 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/$user
-# untar directly static quantum package
+# Copy examples
-ADD quantum_package_static.tar.gz .
+COPY --chown=$user:$user  examples examples
-# move quantum package
+# Copy QP2 static from build
-RUN mv quantum_package_static qp2
+COPY --from=builder --chown=$user:$user /home/builder/qp2/quantum_package_static.tar.gz .
-# add examples
+# Extract static build
-COPY --chown=$user  examples examples
+RUN tar -xf quantum_package_static.tar.gz && mv quantum_package_static qp2 && rm quantum_package_static.tar.gz
 RUN echo "set -g default-command /home/$user/qp2/bin/qpsh" >> .tmux.conf
 RUN echo "shell \"/home/$user/qp2/bin/qpsh\"" >> .screenrc
 # start a qp shell when run

Dockerfile.compile

@@ -1,58 +0,0 @@
-# For help about how Dockerfiles work, see https://docs.docker.com/engine/reference/builder
-
-# This image is based from Ubuntu LTS
-FROM ubuntu:20.04
-LABEL version="1.0" \
-maintainer.name="Mickaël Véril" \
-quantum_package.author.name="Anthony Scemama" \
-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
-# This argument define the user name
-ARG user=user
-# This argument define timezone for tzdata requierd by qp_run
-ARG tz=Etc/UTC
-# enable manpages installation
-RUN sed -i 's,^path-exclude=/usr/share/man/,#path-exclude=/usr/share/man/,' /etc/dpkg/dpkg.cfg.d/excludes
-# Install all requierd packages
-RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install apt-utils -y \
-# 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 manpages-posix lsb-release -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/$user/
-# add examples
-COPY --chown=$user  examples examples
-RUN echo "set -g default-command /home/$user/qp2/bin/qpsh" >> .tmux.conf
-RUN echo "shell \"/home/$user/qp2/bin/qpsh\"" >> .screenrc
-# start a qp shell when run
-CMD ["./qp2/bin/qpsh"]
-
-

Makefile

@@ -7,9 +7,6 @@ default:
 no-cache:
 	docker build -t $(IMAGE) --no-cache .
 
-compile:
-	docker build -t $(IMAGE) -f Dockerfile.compile .
-
 compile-no-cache:
 	docker build -t $(IMAGE) -f Dockerfile.compile --no-cache . .