language: cpp compiler: - clang before_install: - sudo apt-get update -qq - sudo apt-get install -qq libpcre3 libpcre3-dev gromacs - sudo apt-get install -qq swig doxygen - sudo apt-get install -qq python-numpy python-scipy python-nose 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 - nosetests # - 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