language: cpp compiler: - clang before_install: - sudo apt-get update - sudo apt-get install libpcre3 libpcre3-dev - sudo apt-get install swig - sudo apt-get install doxygen - sudo apt-get install python-numpy - sudo apt-get install python-scipy script: - cmake -DCMAKE_INSTALL_PREFIX=~/OpenMM . - make - make test - make install - ls ~/OpenMM/include - export LD_LIBRARY_PATH=~/OpenMM/lib/ - export OPENMM_LIB_PATH=~/OpenMM/lib/ - export OPENMM_INCLUDE_PATH=~/OpenMM/include/ - cd python - sudo -E python setup.py install - cd tests - python TestAmberPrmtopFile.py - python TestDesmondDMSFile.py - python TestForceField.py - python TestGromacsTopFile.py - python TestModeller.py - python TestNumpyCompatibility.py - python validateConstraints.py - python validateConstraints.pyc - python validateModeller.py