Error when building from source

[xqding]

I followed the tutorial to build the plugins from source and had the following error when I run "make install".

Scanning dependencies of target CopyTestFiles
[ 3%] CMake-copying file /home/xqding/Downloads/openmm-torch-v.03/tests/central.pt to /home/xqding/Downloads/build_openmm_torch/tests/central.pt
[ 6%] CMake-copying file /home/xqding/Downloads/openmm-torch-v.03/tests/global.pt to /home/xqding/Downloads/build_openmm_torch/tests/global.pt
[ 10%] CMake-copying file /home/xqding/Downloads/openmm-torch-v.03/tests/periodic.pt to /home/xqding/Downloads/build_openmm_torch/tests/periodic.pt
[ 10%] Built target CopyTestFiles
Scanning dependencies of target OpenMMTorch
[ 13%] Building CXX object CMakeFiles/OpenMMTorch.dir/openmmapi/src/TorchForce.cpp.o
[ 17%] Building CXX object CMakeFiles/OpenMMTorch.dir/openmmapi/src/TorchForceImpl.cpp.o
[ 20%] Building CXX object CMakeFiles/OpenMMTorch.dir/serialization/src/TorchForceProxy.cpp.o
[ 24%] Building CXX object CMakeFiles/OpenMMTorch.dir/serialization/src/TorchSerializationProxyRegistration.cpp.o
make[2]: *** No rule to make target /usr/local/cuda/lib64/libnvToolsExt.so', needed by libOpenMMTorch.so'. Stop.
make[1]: *** [CMakeFiles/OpenMMTorch.dir/all] Error 2
make: *** [all] Error

In the file build_openmm_torch/CMakeFiles/OpenMMTorch.dir/build.make, the dependency objects of libOpenMMTorch.so are listed as

libOpenMMTorch.so: CMakeFiles/OpenMMTorch.dir/openmmapi/src/TorchForce.cpp.o
libOpenMMTorch.so: CMakeFiles/OpenMMTorch.dir/openmmapi/src/TorchForceImpl.cpp.o
libOpenMMTorch.so: CMakeFiles/OpenMMTorch.dir/serialization/src/TorchForceProxy.cpp.o
libOpenMMTorch.so: CMakeFiles/OpenMMTorch.dir/serialization/src/TorchSerializationProxyRegistration.cpp.o
libOpenMMTorch.so: CMakeFiles/OpenMMTorch.dir/build.make
libOpenMMTorch.so: /home/xqding/apps/libtorch-1.3.0/lib/libtorch.so
libOpenMMTorch.so: /home/xqding/apps/libtorch-1.3.0/lib/libc10.so
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/stubs/libcuda.so
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/libnvrtc.so
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/libnvToolsExt.so
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/libcudart.so
libOpenMMTorch.so: /home/xqding/apps/libtorch-1.3.0/lib/libc10_cuda.so
libOpenMMTorch.so: /home/xqding/apps/libtorch-1.3.0/lib/libc10_cuda.so
libOpenMMTorch.so: /home/xqding/apps/libtorch-1.3.0/lib/libc10.so
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/libcudart.so
libOpenMMTorch.so: /usr/local/cuda/lib64/libnvToolsExt.so
libOpenMMTorch.so: /usr/local/cuda/lib64/libcudart.so
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/libcufft.so
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/libcurand.so
libOpenMMTorch.so: /export/apps/CentOS7/cudnn/9.2/lib64
libOpenMMTorch.so: /usr/local/cuda/lib64/libculibos.a
libOpenMMTorch.so: /usr/local/cuda/lib64/libculibos.a
libOpenMMTorch.so: /export/apps/CentOS7/cuda/10.0/lib64/libcublas.so

It is strange that libOpenMMTorch.so depends on both /export/apps/CentOS7/cuda/10.0/lib64/libnvToolsExt.so and /usr/local/cuda/lib64/libnvToolsExt.so, because I already set the CUDA library path to /export/apps/CentOS7/cuda/10.0 in configuration.

Any suggestions on how to fix it? I also attached the CMakeCache.txt file in case it is helpful.

Thanks!
CMakeCache.txt

[peastman]

I'm not sure what's going on. /usr/local/cuda doesn't appear anywhere in your CMakeCache.txt, so it isn't getting it from there. It's also significant that the error occurs while building libOpenMMTorch.so, which shouldn't be linking to CUDA at all. Any CUDA dependencies should be in libOpenMMTorchCUDA.so.

Could this be an indirect dependency coming from PyTorch? That is, libOpenMMTorch.so requires libTorch, which in turn needs to link to CUDA?