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chemalot / openmm-ani

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Make Error #2

Closed otayfuroglu closed 3 years ago

otayfuroglu commented 4 years ago

Hi, I try to compile openmm-ani from source, but I encounter error follow,

Scanning dependencies of target CopyTestFiles [ 5%] CMake-copying file /home/modellab/Downloads/openmm-ani/tests/central.pb to /home/modellab/Downloads/openmm-ani/build/tests/central.pb [ 11%] CMake-copying file /home/modellab/Downloads/openmm-ani/tests/periodic.pb to /home/modellab/Downloads/openmm-ani/build/tests/periodic.pb [ 17%] CMake-copying file /home/modellab/Downloads/openmm-ani/tests/testAniInfo.txt to /home/modellab/Downloads/openmm-ani/build/tests/testAniInfo.txt [ 17%] Built target CopyTestFiles Scanning dependencies of target OpenMMANI [ 23%] Building CXX object CMakeFiles/OpenMMANI.dir/openmmapi/src/ANIForce.cpp.o [ 29%] Building CXX object CMakeFiles/OpenMMANI.dir/openmmapi/src/ANIForceImpl.cpp.o [ 35%] Building CXX object CMakeFiles/OpenMMANI.dir/serialization/src/ANIForceProxy.cpp.o [ 41%] Building CXX object CMakeFiles/OpenMMANI.dir/serialization/src/ANISerializationProxyRegistration.cpp.o [ 47%] Linking CXX shared library libOpenMMANI.so /usr/bin/ld: cannot find -lcppNeuroChem collect2: error: ld returned 1 exit status make[2]: [libOpenMMANI.so] Error 1 make[1]: [CMakeFiles/OpenMMANI.dir/all] Error 2 make: *** [all] Error 2 (base) [modellab@node4 build]$ cd .. (base) [modellab@node4 openmm-ani]$ rm ^C (base) [modellab@node4 openmm-ani]

thhis is my ccmke; ASE_ANI_DIR /home/modellab/ASE_ANI
CMAKE_BUILD_TYPE
CMAKE_INSTALL_PREFIX /home/modellab/openmm
CUDA_HOST_COMPILER /usr/local/bin/gcc
CUDA_SDK_ROOT_DIR /home/modellab/NVIDIA_CUDA-9.2_Samples
CUDA_TOOLKIT_ROOT_DIR /usr/local/cuda
CUDA_USE_STATIC_CUDA_RUNTIME ON
CUDA_rt_LIBRARY /usr/lib64/librt.so
NN_BUILD_CUDA_LIB ON
NN_BUILD_PYTHON_WRAPPERS ON
OPENMM_DIR /home/modellab/openmm
PYTHON_EXECUTABLE /home/modellab/miniconda3/bin/python
SWIG_EXECUTABLE /usr/local/bin/swig

thank you,

bgobbi commented 3 years ago

Sorry about the late reply.

You need to get the ASE-ANI library this is point one and two in: https://github.com/chemalot/openmm-ani#installation.

You might need to reach out to the developers for a version specific to your environment.

otayfuroglu commented 3 years ago

Hi @bgobbi thank you for answer..