#!/bin/bash # Build script for Linux distribution, for use in automated packaging. # Note that this must be run from outside the checked-out openmm/ directory. # Set relative workspace path. export WORKSPACE=`pwd` # Add conda binaries to path. PATH=$WORKSPACE/miniconda/bin:$PATH INSTALL=`pwd`/install if [ -e $INSTALL ]; then rm -rf $INSTALL fi CMAKE_FLAGS="-DCMAKE_INSTALL_PREFIX=$INSTALL" # 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+=" -DOPENMM_BUILD_AMOEBA_CUDA_LIB=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_CPU_LIB=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_CUDA_COMPILER_PLUGIN=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_CUDA_LIB=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_DRUDE_CUDA_LIB=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_DRUDE_OPENCL_LIB=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_OPENCL_LIB=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_RPMD_CUDA_LIB=OFF" CMAKE_FLAGS+=" -DOPENMM_BUILD_RPMD_OPENCL_LIB=OFF" # Set location for FFTW3 #PREFIX="$WORKSPACE/miniconda" #CMAKE_FLAGS+=" -DFFTW_INCLUDES=$PREFIX/include" #CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.so" #CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.so" # Build in subdirectory. if [ -e build ]; then rm -rf build fi mkdir build cd build cmake ../openmm $CMAKE_FLAGS make -j4 all C++ApiDocs PythonApiDocs sphinxpdf # Install. make install