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35 # \author Victor Holanda <victor.holanda@cscs.ch>
36 # \author Joe Jordan <ejjordan@kth.se>
37 # \author Prashanth Kanduri <kanduri@cscs.ch>
38 # \author Sebastian Keller <keller@cscs.ch>
41 set(TESTUTILS_DIR ${PROJECT_SOURCE_DIR}/src/testutils)
43 if(NOT GMX_DEVELOPER_BUILD)
44 set(UNITTEST_TARGET_OPTIONS EXCLUDE_FROM_ALL)
46 include(${TESTUTILS_DIR}/TestMacros.cmake)
49 add_custom_target(nblib-tests
50 COMMENT "Target to build all nblib tests including samples"
52 # Ensure that "make tests" builds all nblib tests so the top-level
53 # "make check" will work.
55 add_dependencies(tests nblib-tests)
57 # this allows all nblib tests to be run with "make check-nblib"
58 add_custom_target(check-nblib
59 COMMAND ${CMAKE_CTEST_COMMAND} --output-on-failure -R NbLib
60 COMMENT "Running nblib tests"
61 USES_TERMINAL VERBATIM)
62 add_dependencies(check-nblib nblib-tests)
67 set(NBLIB_RELEASE ${NBLIB_MAJOR}.${NBLIB_MINOR}.0)
70 set_target_properties(nblib PROPERTIES
71 VERSION_MAJOR ${NBLIB_MAJOR}
72 VERSION_MINOR ${NBLIB_MINOR}
73 SOVERSION ${NBLIB_MAJOR}
74 RELEASE ${NBLIB_RELEASE}
75 VERSION ${NBLIB_RELEASE}
80 if(${CMAKE_VERSION} VERSION_LESS "3.17.0")
82 target_include_directories(nblib PRIVATE "${CUDA_INCLUDE_DIRS}")
84 find_package(CUDAToolkit)
85 target_link_libraries(nblib PRIVATE CUDA::cudart)
107 gmx_target_compile_options(nblib)
109 target_link_libraries(nblib PRIVATE libgromacs)
110 target_include_directories(nblib SYSTEM BEFORE PRIVATE ${PROJECT_SOURCE_DIR}/src/external/thread_mpi/include)
111 target_include_directories(nblib PRIVATE ${PROJECT_SOURCE_DIR}/api)
112 include_directories(BEFORE ${CMAKE_SOURCE_DIR}/api)
113 target_link_libraries(nblib PRIVATE common)
114 # There are transitive dependencies on the legacy GROMACS headers.
115 target_link_libraries(nblib PUBLIC legacy_api)
116 # TODO: Explicitly link specific modules.
117 target_link_libraries(nblib PRIVATE legacy_modules)
119 target_link_libraries(nblib PUBLIC OpenMP::OpenMP_CXX)
122 install(TARGETS nblib
124 LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
125 RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
126 ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}
127 INCLUDES DESTINATION include
130 if(GMX_INSTALL_NBLIB_API)
145 DESTINATION include/nblib)
148 add_subdirectory(listed_forces)
149 add_subdirectory(samples)
150 add_subdirectory(util)
153 add_subdirectory(tests)