Dockerfile

FROM ubuntu:12.04
MAINTAINER Stefan Verhoeven "s.verhoeven@esciencecenter.nl"

ENV BABEL_LIBDIR=/usr/lib/openbabel/2.3.0
ENV BABEL_DATADIR=/usr/share/openbabel/2.3.0

RUN apt-get update && apt-get install -y libopenbabel-dev libopenbabel4 build-essential cmake wget && \
    mkdir /app && cd /app && \
    wget http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/_downloads/filter-it-1.0.2.tar.gz && \
    tar -zxf filter-it-1.0.2.tar.gz && \
    cd filter-it-1.0.2 && \
    mkdir build && cd build && \
    cmake .. && \
    make -j 2 && make install && \ 
    cd ../.. && \
    rm -r filter-it-1.0.2 filter-it-1.0.2.tar.gz && \
    wget http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/_downloads/strip-it-1.0.2.tar.gz && \
    tar -zxf strip-it-1.0.2.tar.gz && \
    cd strip-it-1.0.2 && \
    mkdir build && cd build && \
    cmake .. && \
    make -j 2 && make install && \ 
    cd ../.. && \
    rm -r strip-it-1.0.2 strip-it-1.0.2.tar.gz && \
    wget http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/_downloads/shape-it-1.0.1.tar.gz && \
    tar -zxf shape-it-1.0.1.tar.gz  && \
    cd shape-it-1.0.1/ && \
    mkdir build && cd build && \
    cmake .. && \
    make -j 2 && make install && \ 
    cd ../.. && \
    rm -r shape-it-1.0.1 shape-it-1.0.1.tar.gz && \
    wget http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/_downloads/align-it-1.0.4.tar.gz && \
    tar -zxf align-it-1.0.4.tar.gz  && \
    cd align-it-1.0.4/ && \
    perl -pi -e 's@/openbabel-2.0@@' cmake/modules/FindOpenBabel2.cmake && \
    mkdir build && cd build && \
    BABEL_INCLUDEDIR=/usr/include/openbabel-2.0 cmake .. && \
    make -j 2 && make install && \ 
    cd ../.. && \
    rm -r align-it-1.0.4 align-it-1.0.4.tar.gz && \    
    apt-get remove -y libopenbabel-dev build-essential cmake && apt-get autoremove -y