#!/bin/bash CMAKE_FLAGS="-DCMAKE_INSTALL_PREFIX=$PREFIX" if [[ "$OSTYPE" == "linux-gnu" ]]; then # setting the rpath so that libOpenMMPME.so finds the right libfftw3 CMAKE_FLAGS+=" -DCMAKE_INSTALL_RPATH=.." CMAKE_FLAGS+=" -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++" #CMAKE_FLAGS+=" -DOPENCL_LIBRARY=/opt/AMDAPP/lib/x86_64/libOpenCL.so" # TEST elif [[ "$OSTYPE" == "darwin"* ]]; then export MACOSX_DEPLOYMENT_TARGET="10.7" CMAKE_FLAGS+=" -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++" fi # Set location for FFTW3 on both linux and mac CMAKE_FLAGS+=" -DFFTW_INCLUDES=$PREFIX/include" if [[ "$OSTYPE" == "linux-gnu" ]]; then CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.so" CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.so" elif [[ "$OSTYPE" == "darwin"* ]]; then CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.dylib" CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.dylib" fi # Copy source to current directory. cp -r $RECIPE_DIR/../.. . # Build in subdirectory. mkdir build cd build cmake .. $CMAKE_FLAGS make -j4 make install # Run C tests. # Exclude OpenCL tests because @peastman suspects mesa on travis implementation is broken. # @jchodera and @pgrinaway suspect travis is working, but AMD OpenCL tests are actually failing due to a bug. ctest -j2 -V -E "[A-Za-z]+OpenCL[A-Za-z]+" # Install Python wrappers. export OPENMM_INCLUDE_PATH=$PREFIX/include export OPENMM_LIB_PATH=$PREFIX/lib cd python $PYTHON setup.py install cd .. # Remove one random file #rm $PREFIX/bin/TestReferenceHarmonicBondForce # Copy all tests to bin directory so they will be distributed with install package. cp `find . -name "Test*" -type f -maxdepth 1` $PREFIX/bin