message: import openbabel first
diff: @@ -24,6 +24,12 @@ if(NOT ${CUDA_cublas_device_LIBRARY}) #workaround for oldercmake/newer cuda issu
  set(CUDA_cublas_device_LIBRARY "")
  endif()
  +find_package(OpenBabel3 REQUIRED)
  +#get_target_property(OPENBABEL_LIBRARIES openbabel LOCATION)
  +set(OPENBABEL_LIBRARIES $<TARGET_FILE:openbabel>)
  +set(OPENBABEL_INCLUDE_DIR ${OpenBabel3_INCLUDE_DIRS})
  +include_directories(${OPENBABEL_INCLUDE_DIR})
  +
  include(caffe/cmake/Utils.cmake)
  include(caffe/cmake/Cuda.cmake)
  @@ -55,12 +61,6 @@ endif()
  include_directories(${LIBMOLGRID_INCLUDE_DIR})
  -find_package(OpenBabel3 REQUIRED)
  -#get_target_property(OPENBABEL_LIBRARIES openbabel LOCATION)
  -set(OPENBABEL_LIBRARIES $<TARGET_FILE:openbabel>)
  -set(OPENBABEL_INCLUDE_DIR ${OpenBabel3_INCLUDE_DIRS})
  -include_directories(${OPENBABEL_INCLUDE_DIR})
  -
  # enable testing
  include(CTest)
  enable_testing()
  