#!/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 .. $CMAKE_FLAGS make -j4 make install export OPENMM_INCLUDE_PATH=$PREFIX/include export OPENMM_LIB_PATH=$PREFIX/lib cd python $PYTHON setup.py install # Remove one random file rm $PREFIX/bin/TestReferenceHarmonicBondForce