# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 2013,2014,2015,2016,2017,2018, 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. # Make an "object library" for test infrastructure code that we re-use # in multiple test executables. add_library(mdrun_test_objlib OBJECT energyreader.cpp energycomparison.cpp moduletest.cpp terminationhelper.cpp trajectorycomparison.cpp trajectoryreader.cpp ) set(testname "MdrunTests") set(exename "mdrun-test") gmx_add_gtest_executable( ${exename} # files with code for tests compressed_x_output.cpp grompp.cpp initialconstraints.cpp interactiveMD.cpp pmetest.cpp swapcoords.cpp tabulated_bonded_interactions.cpp termination.cpp trajectory_writing.cpp mimic.cpp # pseudo-library for code for testing mdrun $ # pseudo-library for code for mdrun $ ) gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST) # To avoid running into test timeouts, some end-to-end tests of mdrun # functionality are split off. This can be rearranged in future as we # see fit. set(testname "MdrunNonIntegratorTests") set(exename "mdrun-non-integrator-test") gmx_add_gtest_executable( ${exename} # files with code for tests minimize.cpp normalmodes.cpp rerun.cpp # pseudo-library for code for testing mdrun $ # pseudo-library for code for mdrun $ ) gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST) # To permit other end-to-end tests to run with multiple OpenMP # threads, test cases that still use the group scheme are separated. set(testname "LegacyGroupSchemeMdrunTests") set(exename "legacy-mdrun-test") gmx_add_gtest_executable( ${exename} # When TPI supports the Verlet scheme, move this into # MdrunNonIntegratorTest tpitest.cpp # pseudo-library for code for testing mdrun $ # pseudo-library for code for mdrun $ ) gmx_register_gtest_test(${testname} ${exename} INTEGRATION_TEST) # Tests that only make sense to run with multiple ranks and/or real # MPI are implemented here. set(testname "MdrunMpiTests") set(exename "mdrun-mpi-test") gmx_add_gtest_executable( ${exename} MPI # files with code for tests domain_decomposition.cpp minimize.cpp mimic.cpp multisim.cpp multisimtest.cpp pmetest.cpp replicaexchange.cpp # pseudo-library for code for testing mdrun $ # pseudo-library for code for mdrun $ ) gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST)