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Load correct library name #121

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Load correct library name #121

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4 changes: 2 additions & 2 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -32,12 +32,12 @@ set(SRC_FILES src/ani/CpuANISymmetryFunctions.cpp
# Build the library
set(LIBRARY ${NAME}PyTorch)
add_library(${LIBRARY} SHARED ${SRC_FILES})
set_property(TARGET ${LIBRARY} PROPERTY CXX_STANDARD 14)
set_property(TARGET ${LIBRARY} PROPERTY CXX_STANDARD 17)
target_include_directories(${LIBRARY} PRIVATE ${Python3_INCLUDE_DIRS}
src/ani src/pytorch src/schnet)
target_link_libraries(${LIBRARY} ${TORCH_LIBRARIES} ${Python3_LIBRARIES})
if(ENABLE_CUDA)
set_property(TARGET ${LIBRARY} PROPERTY CUDA_STANDARD 14)
set_property(TARGET ${LIBRARY} PROPERTY CUDA_STANDARD 17)
target_compile_definitions(${LIBRARY} PRIVATE ENABLE_CUDA)
endif(ENABLE_CUDA)

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9 changes: 8 additions & 1 deletion src/pytorch/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,16 @@
High-performance PyTorch operations for neural network potentials
'''
import os.path
import platform
import torch

torch.ops.load_library(os.path.join(os.path.dirname(__file__), 'libNNPOpsPyTorch.so'))
if platform.system() == 'Darwin':
libname = 'libNNPOpsPyTorch.dylib'
elif platform.system() == 'Windows':
libname = 'NNPOpsPyTorch.dll'
else:
libname = 'libNNPOpsPyTorch.so'
torch.ops.load_library(os.path.join(os.path.dirname(__file__), libname))


from NNPOps.OptimizedTorchANI import OptimizedTorchANI
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