Files
openmm-torch/python/CMakeLists.txt
Peter Eastman 9ef733c071 Changes for PyPI wheels (#161)
* Changes needed for wheels

* Remove version pin

* Update version number

* Set version number in CMake

* Store version number in CMake cache

* Fixed typo
2024-11-11 15:41:08 -08:00

31 lines
1.0 KiB
CMake

set(WRAP_FILE TorchPluginWrapper.cpp)
set(MODULE_NAME openmmtorch)
# Execute SWIG to generate source code for the Python module.
foreach(dir ${TORCH_INCLUDE_DIRS})
set(torchincs "${torchincs}" "-I${dir}")
endforeach()
add_custom_command(
OUTPUT "${WRAP_FILE}"
COMMAND "${SWIG_EXECUTABLE}"
-python -c++
-o "${WRAP_FILE}"
"-I${OPENMM_DIR}/include"
${torchincs}
"${CMAKE_CURRENT_SOURCE_DIR}/openmmtorch.i"
DEPENDS "${CMAKE_CURRENT_SOURCE_DIR}/openmmtorch.i"
WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}"
)
# Compile the Python module.
add_custom_target(PythonInstall DEPENDS "${WRAP_FILE}" "${CMAKE_CURRENT_SOURCE_DIR}/setup.py")
set(NN_PLUGIN_HEADER_DIR "${CMAKE_SOURCE_DIR}/openmmapi/include")
set(NN_PLUGIN_LIBRARY_DIR "${CMAKE_BINARY_DIR}")
configure_file(${CMAKE_CURRENT_SOURCE_DIR}/setup.py ${CMAKE_CURRENT_BINARY_DIR}/setup.py)
add_custom_command(TARGET PythonInstall
COMMAND "${PYTHON_EXECUTABLE}" -m pip install .
WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}"
)