# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 2018,2019,2020, 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. add_library(mdrun INTERFACE) gmx_add_libgromacs_sources( legacymdrunoptions.cpp legacysimulator.cpp md.cpp mdmodules.cpp membedholder.cpp mimic.cpp minimize.cpp replicaexchange.cpp rerun.cpp runner.cpp shellfc.cpp simulationcontext.cpp simulationinput.cpp simulationinputhandle.cpp simulatorbuilder.cpp tpi.cpp ) # Source files have the following private module dependencies. target_link_libraries(mdrun PRIVATE # gmxlib # math # mdtypes # tng_io ) # Public interface for modules, including dependencies and interfaces #target_include_directories(mdrun PUBLIC target_include_directories(mdrun INTERFACE $) #target_link_libraries(mdrun PUBLIC target_link_libraries(mdrun INTERFACE legacy_api ) # TODO: when mdrun is an OBJECT target #target_link_libraries(mdrun PUBLIC legacy_api) #target_link_libraries(mdrun PRIVATE common) # Module dependencies # mdrun interfaces convey transitive dependence on these modules. #target_link_libraries(mdrun PUBLIC target_link_libraries(mdrun INTERFACE utility ) # Source files have the following private module dependencies. #target_link_libraries(mdrun PRIVATE tng_io) # TODO: Explicitly link specific modules. #target_link_libraries(mdrun PRIVATE legacy_modules) # TODO: Find a home for this header and a scheme for installation. # This header straddles the installed libraries and is a transitive interface # from libgromacs to libgmxapi to libgmxapi clients. Near term efforts are # planned to consolidate these libraries and refine the public interface. # In the mean time, this is kept out of the gmxapi to avoid circular dependencies # between the libraries. It can be moved to a separate interface-only target, # but that is beyond the scope of issue #3379, which introduces the header. # Ref #3152 and #3652 install(FILES simulationinputhandle.h DESTINATION include/gromacs/mdrun) if (BUILD_TESTING) # TODO import this from src/programs/mdrun/tests # add_subdirectory(tests) endif()