# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 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(nbnxm INTERFACE) add_subdirectory(kernels_simd_4xm) add_subdirectory(kernels_simd_2xmm) file(GLOB NBNXM_SOURCES # Source files atomdata.cpp freeenergydispatch.cpp grid.cpp gridset.cpp kernel_common.cpp kerneldispatch.cpp nbnxm.cpp nbnxm_geometry.cpp nbnxm_setup.cpp pairlist.cpp pairlistparams.cpp pairlistset.cpp pairlist_tuning.cpp pairsearch.cpp prunekerneldispatch.cpp # Reference kernel source files kernels_reference/kernel_gpu_ref.cpp kernels_reference/kernel_ref.cpp kernels_reference/kernel_ref_prune.cpp # Benchmark source files # TODO these should not be in libgromacs benchmark/bench_setup.cpp benchmark/bench_system.cpp ) if(GMX_GPU_CUDA) add_subdirectory(cuda) gmx_add_libgromacs_sources(nbnxm_gpu_data_mgmt.cpp nbnxm_gpu_buffer_ops.cpp) _gmx_add_files_to_property(CUDA_SOURCES nbnxm_gpu_data_mgmt.cpp nbnxm_gpu_buffer_ops.cpp ) endif() if(GMX_GPU_OPENCL) add_subdirectory(opencl) set(NBNXM_OPENCL_KERNELS ${NBNXM_OPENCL_KERNELS} PARENT_SCOPE) gmx_add_libgromacs_sources(nbnxm_gpu_data_mgmt.cpp nbnxm_gpu_buffer_ops.cpp) endif() if(GMX_GPU_SYCL) add_subdirectory(sycl) gmx_add_libgromacs_sources(nbnxm_gpu_data_mgmt.cpp nbnxm_gpu_buffer_ops.cpp) _gmx_add_files_to_property(SYCL_SOURCES nbnxm_gpu_data_mgmt.cpp nbnxm_gpu_buffer_ops.cpp nbnxm.cpp) endif() set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${NBNXM_SOURCES} PARENT_SCOPE) # Source files have the following private module dependencies. target_link_libraries(nbnxm PRIVATE ) # Public interface for modules, including dependencies and interfaces #target_include_directories(nbnxm PUBLIC target_include_directories(nbnxm INTERFACE $) #target_link_libraries(nbnxm PUBLIC target_link_libraries(nbnxm INTERFACE legacy_api ) # TODO: when nbnxm is an OBJECT target #target_link_libraries(nbnxm PUBLIC legacy_api) #target_link_libraries(nbnxm PRIVATE common) # Module dependencies # nbnxm interfaces convey transitive dependence on these modules. #target_link_libraries(nbnxm PUBLIC target_link_libraries(nbnxm INTERFACE utility ) if (BUILD_TESTING) add_subdirectory(tests) endif()