.travis.yml

language: python
python:
  - "2.7"
virtualenv:
    system_site_packages: true
before_install:
  - sudo apt-get update -qq
  - sudo apt-get install git build-essential gfortran python-dev liblapack-dev python-openbabel python-setuptools python-pip
#  - sudo apt-get install python-rdkit librdkit-dev librdkit1 rdkit-data
  - sudo apt-get install -qq python-numpy python-scipy python-matplotlib
  - cd ..

  - git clone https://github.com/GreenGroup/RMG-database.git
  - git clone https://github.com/GreenGroup/PyDAS.git
  - git clone https://github.com/GreenGroup/PyDQED.git
  # RDKit, based on https://github.com/rdkit/rdkit/blob/master/.travis.yml
  - sudo apt-get install -qq flex bison build-essential python-numpy cmake python-dev sqlite3 libsqlite3-dev libboost-dev libboost-python-dev libboost-regex-dev python-imaging openjdk-7-jdk swig junit
  - export CXX=g++
  - export CC=gcc
  - git clone https://github.com/rdkit/rdkit.git
  - cd rdkit
  - export RDBASE=`pwd`
  - export PYTHONPATH=${PYTHONPATH}:${RDBASE}
  - export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:${RDBASE}/lib
  - cd External/INCHI-API
  - ./download-inchi.sh
  - cd ../../
  - mkdir build
  - cd build
  - mkdir $RDBASE/External/java_lib
  - cp /usr/share/java/junit.jar $RDBASE/External/java_lib
  - ls -l $RDBASE/External/java_lib
  - cmake .. -DRDK_BUILD_INCHI_SUPPORT=ON
  - make -j2
  - make install
  - cd ..
  - cd ..
install:
  - cd $TRAVIS_BUILD_DIR
  - pip install numpy
  - pip install -r requirements.txt
  - cd ..
  - cd PyDAS
  - make F77=gfortran
  - make install
  - cd ..
  - cd PyDQED
  - make F77=gfortran
  - make install
  - cd ..
  - cd $TRAVIS_BUILD_DIR
  - make noQM
script: 
  - make test
  - make eg1