# This is the Dockerfile for PSCF. # # To build the container, you need docker to be installed on # your machine (https://www.docker.com) and run the following command # # docker build -t pscf . # # It will create a Debian-based container that contains everything # needed to compile pscf # # Everything will be installed in /pscf # # To run the container interactively # # docker run -it pcsf /bin/bash FROM debian RUN apt-get update && \ apt-get install -y \ cmake \ gfortran \ liblapack3 \ libfftw3-dev \ python WORKDIR . ADD . /pcsf RUN cd /pcsf_SRC && \ mkdir -p build && \ cd build && \ export FC=`which gfortran` && \ cmake .. -DCMAKE_BUILD_TYPE=Release \ -DCMAKE_INSTALL_PREFIX=/pcsf && \ make && \ make install