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CMakeLists.txt
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CMakeLists.txt
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#---------------------------------------------------
# OpenMM PyTorch Plugin
#----------------------------------------------------
# The version number is set here and copied to anywhere it is needed.
SET(OPENMM_TORCH_VERSION 1.5 CACHE STRING "The version of OpenMM-Torch that will be built." FORCE)
CMAKE_MINIMUM_REQUIRED(VERSION 3.5)
# We need to know where OpenMM is installed so we can access the headers and libraries.
SET(OPENMM_DIR "/usr/local/openmm" CACHE PATH "Where OpenMM is installed")
INCLUDE_DIRECTORIES("${OPENMM_DIR}/include")
LINK_DIRECTORIES("${OPENMM_DIR}/lib" "${OPENMM_DIR}/lib/plugins")
# We need to know where LibTorch is installed so we can access the headers and libraries.
SET(PYTORCH_DIR "" CACHE PATH "Where the PyTorch C++ API is installed")
SET(CMAKE_PREFIX_PATH "${PYTORCH_DIR}")
FIND_PACKAGE(Torch REQUIRED)
# Specify the C++ version we are building for.
SET (CMAKE_CXX_STANDARD 17)
# Set flags for linking on mac
IF(APPLE)
SET (CMAKE_INSTALL_NAME_DIR "@rpath")
SET(EXTRA_COMPILE_FLAGS "-stdlib=libc++")
ENDIF(APPLE)
# Select where to install
IF(${CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT})
IF(WIN32)
SET(CMAKE_INSTALL_PREFIX "$ENV{ProgramFiles}/OpenMM" CACHE PATH "Where to install the plugin" FORCE)
ELSE(WIN32)
SET(CMAKE_INSTALL_PREFIX "/usr/local/openmm" CACHE PATH "Where to install the plugin" FORCE)
ENDIF(WIN32)
ENDIF(${CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT})
# Put all the tests and libraries in a single output directory.
IF(NOT EXECUTABLE_OUTPUT_PATH)
SET(EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}
CACHE INTERNAL "Single output directory for building all executables.")
ENDIF()
IF(NOT LIBRARY_OUTPUT_PATH)
SET(LIBRARY_OUTPUT_PATH ${PROJECT_BINARY_DIR}
CACHE INTERNAL "Single output directory for building all libraries.")
ENDIF()
SET(${PROJECT_NAME}_EXECUTABLE_DIR ${EXECUTABLE_OUTPUT_PATH}/${CMAKE_CFG_INTDIR})
SET(${PROJECT_NAME}_LIBRARY_DIR ${LIBRARY_OUTPUT_PATH}/${CMAKE_CFG_INTDIR})
# The source is organized into subdirectories, but we handle them all from
# this CMakeLists file rather than letting CMake visit them as SUBDIRS.
SET(NN_PLUGIN_SOURCE_SUBDIRS openmmapi serialization)
# Set the library name
SET(NN_LIBRARY_NAME OpenMMTorch)
SET(SHARED_NN_TARGET ${NN_LIBRARY_NAME})
# These are all the places to search for header files which are to be part of the API.
SET(API_INCLUDE_DIRS "openmmapi/include" "openmmapi/include/internal")
# Locate header files.
SET(API_INCLUDE_FILES)
FOREACH(dir ${API_INCLUDE_DIRS})
FILE(GLOB fullpaths ${dir}/*.h)
SET(API_INCLUDE_FILES ${API_INCLUDE_FILES} ${fullpaths})
ENDFOREACH(dir)
# Collect up source files
SET(SOURCE_FILES) # empty
SET(SOURCE_INCLUDE_FILES)
FOREACH(subdir ${NN_PLUGIN_SOURCE_SUBDIRS})
FILE(GLOB src_files ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*.cpp)
FILE(GLOB incl_files ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*.h)
SET(SOURCE_FILES ${SOURCE_FILES} ${src_files}) #append
SET(SOURCE_INCLUDE_FILES ${SOURCE_INCLUDE_FILES} ${incl_files})
## Make sure we find these locally before looking in OpenMM/include if
## OpenMM was previously installed there.
INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include)
ENDFOREACH(subdir)
# Create the library.
ADD_LIBRARY(${SHARED_NN_TARGET} SHARED ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_INCLUDE_FILES})
SET_TARGET_PROPERTIES(${SHARED_NN_TARGET}
PROPERTIES COMPILE_FLAGS "-DNN_BUILDING_SHARED_LIBRARY ${EXTRA_COMPILE_FLAGS}"
LINK_FLAGS "${EXTRA_COMPILE_FLAGS}")
TARGET_LINK_LIBRARIES(${SHARED_NN_TARGET} OpenMM)
TARGET_LINK_LIBRARIES(${SHARED_NN_TARGET} "${TORCH_LIBRARIES}")
INSTALL_TARGETS(/lib RUNTIME_DIRECTORY /lib ${SHARED_NN_TARGET})
# install headers
FILE(GLOB API_ONLY_INCLUDE_FILES "openmmapi/include/*.h")
INSTALL (FILES ${API_ONLY_INCLUDE_FILES} DESTINATION include)
FILE(GLOB API_ONLY_INCLUDE_FILES_INTERNAL "openmmapi/include/internal/*.h")
INSTALL (FILES ${API_ONLY_INCLUDE_FILES_INTERNAL} DESTINATION include/internal)
# Enable testing
ENABLE_TESTING()
ADD_SUBDIRECTORY(serialization/tests)
# Copy test files to the build directory.
file(GLOB_RECURSE TEST_FILES RELATIVE "${CMAKE_SOURCE_DIR}"
"${CMAKE_SOURCE_DIR}/tests/*.pt"
)
file(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/tests)
set(COPIED_TEST_FILES)
foreach(TEST_FILE ${TEST_FILES})
set(infile "${CMAKE_SOURCE_DIR}/${TEST_FILE}")
set(outfile "${CMAKE_BINARY_DIR}/${TEST_FILE}")
add_custom_command(
OUTPUT "${outfile}"
COMMAND "${CMAKE_COMMAND}" -E copy_if_different "${infile}" "${outfile}"
DEPENDS "${infile}"
COMMENT "CMake-copying file ${infile} to ${outfile}")
set(COPIED_TEST_FILES ${COPIED_TEST_FILES} "${outfile}")
endforeach()
add_custom_target(CopyTestFiles ALL DEPENDS ${COPIED_TEST_FILES})
# Build the implementations for different platforms
ADD_SUBDIRECTORY(platforms/reference)
SET(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_SOURCE_DIR}")
FIND_PACKAGE(OpenCL QUIET)
IF(OPENCL_FOUND)
SET(NN_BUILD_OPENCL_LIB ON CACHE BOOL "Build implementation for OpenCL")
ELSE(OPENCL_FOUND)
SET(NN_BUILD_OPENCL_LIB OFF CACHE BOOL "Build implementation for OpenCL")
ENDIF(OPENCL_FOUND)
IF(NN_BUILD_OPENCL_LIB)
ADD_SUBDIRECTORY(platforms/opencl)
ENDIF(NN_BUILD_OPENCL_LIB)
FIND_PACKAGE(CUDA QUIET)
IF(CUDA_FOUND)
SET(NN_BUILD_CUDA_LIB ON CACHE BOOL "Build implementation for CUDA")
ELSE(CUDA_FOUND)
SET(NN_BUILD_CUDA_LIB OFF CACHE BOOL "Build implementation for CUDA")
ENDIF(CUDA_FOUND)
IF(NN_BUILD_CUDA_LIB)
ADD_SUBDIRECTORY(platforms/cuda)
ENDIF(NN_BUILD_CUDA_LIB)
LIST(APPEND CMAKE_PREFIX_PATH $ENV{ROCM_PATH} /opt/rocm)
FIND_PACKAGE(HIP CONFIG QUIET)
IF(HIP_FOUND)
SET(NN_BUILD_HIP_LIB ON CACHE BOOL "Build implementation for HIP")
ELSE(HIP_FOUND)
SET(NN_BUILD_HIP_LIB OFF CACHE BOOL "Build implementation for HIP")
ENDIF(HIP_FOUND)
IF(NN_BUILD_HIP_LIB)
ADD_SUBDIRECTORY(platforms/hip)
ENDIF(NN_BUILD_HIP_LIB)
IF(NN_BUILD_OPENCL_LIB OR NN_BUILD_CUDA_LIB OR NN_BUILD_HIP_LIB)
ADD_SUBDIRECTORY(platforms/common)
ENDIF()
# Build the Python API
FIND_PROGRAM(PYTHON_EXECUTABLE python)
FIND_PROGRAM(SWIG_EXECUTABLE swig)
IF(PYTHON_EXECUTABLE AND SWIG_EXECUTABLE)
SET(NN_BUILD_PYTHON_WRAPPERS ON CACHE BOOL "Build wrappers for Python")
ELSE(PYTHON_EXECUTABLE AND SWIG_EXECUTABLE)
SET(NN_BUILD_PYTHON_WRAPPERS OFF CACHE BOOL "Build wrappers for Python")
ENDIF(PYTHON_EXECUTABLE AND SWIG_EXECUTABLE)
IF(NN_BUILD_PYTHON_WRAPPERS)
ADD_SUBDIRECTORY(python)
ENDIF(NN_BUILD_PYTHON_WRAPPERS)