# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 2015,2019,2020,2021, by the GROMACS development team, led by # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, # and including many others, as listed in the AUTHORS file in the # top-level source directory and at http://www.gromacs.org. # # GROMACS is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License # as published by the Free Software Foundation; either version 2.1 # of the License, or (at your option) any later version. # # GROMACS is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with GROMACS; if not, see # http://www.gnu.org/licenses, or write to the Free Software Foundation, # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # If you want to redistribute modifications to GROMACS, please # consider that scientific software is very special. Version # control is crucial - bugs must be traceable. We will be happy to # consider code for inclusion in the official distribution, but # derived work must not be called official GROMACS. Details are found # in the README & COPYING files - if they are missing, get the # official version at http://www.gromacs.org. # # To help us fund GROMACS development, we humbly ask that you cite # the research papers on the package. Check out http://www.gromacs.org. # Set up the module library add_library(mdtypes INTERFACE) file(GLOB MDTYPES_SOURCES awh_history.cpp checkpointdata.cpp df_history.cpp energyhistory.cpp forcebuffers.cpp group.cpp iforceprovider.cpp inputrec.cpp interaction_const.cpp md_enums.cpp multipletimestepping.cpp observableshistory.cpp observablesreducer.cpp state.cpp threaded_force_buffer.cpp) if(GMX_GPU) gmx_add_libgromacs_sources( state_propagator_data_gpu_impl_gpu.cpp ) if(GMX_GPU_CUDA) _gmx_add_files_to_property(CUDA_SOURCES state_propagator_data_gpu_impl_gpu.cpp ) endif() if(GMX_GPU_SYCL) _gmx_add_files_to_property(SYCL_SOURCES state_propagator_data_gpu_impl_gpu.cpp ) endif() else() gmx_add_libgromacs_sources( state_propagator_data_gpu_impl.cpp ) endif() # Source files have the following private module dependencies. target_link_libraries(mdtypes PRIVATE # gmxlib # math # mdtypes # tng_io ) # Public interface for modules, including dependencies and interfaces #target_include_directories(mdtypes PUBLIC target_include_directories(mdtypes INTERFACE $) #target_link_libraries(mdtypes PUBLIC target_link_libraries(mdtypes INTERFACE legacy_api ) # TODO: when fileio is an OBJECT target #target_link_libraries(mdtypes PUBLIC legacy_api) #target_link_libraries(mdtypes PRIVATE common) # Module dependencies # fileio interfaces convey transitive dependence on these modules. #target_link_libraries(mdtypes PUBLIC target_link_libraries(mdtypes INTERFACE utility ) # Source files have the following private module dependencies. #target_link_libraries(mdtypes PRIVATE tng_io) # TODO: Explicitly link specific modules. #target_link_libraries(mdtypes PRIVATE legacy_modules) if (BUILD_TESTING) add_subdirectory(tests) endif() set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${MDTYPES_SOURCES} PARENT_SCOPE) if(GMX_INSTALL_LEGACY_API) install(FILES inputrec.h md_enums.h DESTINATION include/gromacs/mdtypes) endif()