diff --git a/.travis.yml b/.travis.yml index 6956df7af3..d2ff12da4f 100644 --- a/.travis.yml +++ b/.travis.yml @@ -1,15 +1,54 @@ language: python python: - - "2.6" - "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 - - git clone git@github.com:GreenGroup/RMG-database.git +# - 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: - - pip install numpy --use-mirrors - - pip install -r requirements.txt --use-mirrors - - make - - pip install . -script: make test + - 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