Add utility dependency to libmdrun_test_infrastructure

[alexxy/gromacs.git] / src / programs / mdrun / tests / CMakeLists.txt

diff --git a/src/programs/mdrun/tests/CMakeLists.txt b/src/programs/mdrun/tests/CMakeLists.txt
index 357882bb4843d9ed2b35854e8cdc0c725cbf6ff1..74c4b9c3568cb0f8270bdaaa45c743d51aa17523 100644 (file)
--- a/src/programs/mdrun/tests/CMakeLists.txt
+++ b/src/programs/mdrun/tests/CMakeLists.txt
@@ -2,7 +2,7 @@
 # This file is part of the GROMACS molecular simulation package.
 #
 # Copyright (c) 2013,2014,2015,2016,2017 The GROMACS development team.
-# Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+# Copyright (c) 2018,2019,2020,2021, 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.
@@ -47,7 +47,7 @@ gmx_add_unit_test_library(mdrun_test_infrastructure
     $<TARGET_OBJECTS:mdrun_objlib>
     )
 target_include_directories(mdrun_test_infrastructure SYSTEM PRIVATE ${PROJECT_SOURCE_DIR}/src/external)
-target_link_libraries(mdrun_test_infrastructure PUBLIC legacy_api)
+target_link_libraries(mdrun_test_infrastructure PUBLIC legacy_api utility)
 
 # 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
@@ -110,6 +110,7 @@ gmx_add_gtest_executable(${exename}
         orires.cpp
         swapcoords.cpp
         tabulated_bonded_interactions.cpp
+        freezegroups.cpp
         # pseudo-library for code for mdrun
         $<TARGET_OBJECTS:mdrun_objlib>
     )
@@ -172,15 +173,56 @@ gmx_add_gtest_executable(${exename} MPI
         domain_decomposition.cpp
         minimize.cpp
         mimic.cpp
+        pmetest.cpp
+        # pseudo-library for code for mdrun
+        $<TARGET_OBJECTS:mdrun_objlib>
+        )
+target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
+gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
+
+# Multi sim only makes sense with real MPI, and ideally at least 4 ranks,
+# to allow for multiple simulations (>= 2 sims) each using DD (>= 2 ranks per sim)
+set(testname "MdrunMultiSimTests")
+set(exename "mdrun-multisim-test")
+
+gmx_add_gtest_executable(${exename} MPI
+    CPP_SOURCE_FILES
+        # files with code for tests
         multisim.cpp
         multisimtest.cpp
+        # pseudo-library for code for mdrun
+        $<TARGET_OBJECTS:mdrun_objlib>
+        )
+target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
+gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 4 INTEGRATION_TEST IGNORE_LEAKS)
+
+set(testname "MdrunMultiSimReplexTests")
+set(exename "mdrun-multisim-replex-test")
+
+gmx_add_gtest_executable(${exename} MPI
+    CPP_SOURCE_FILES
+        # files with code for tests
+       multisimtest.cpp
         replicaexchange.cpp
-        pmetest.cpp
         # pseudo-library for code for mdrun
         $<TARGET_OBJECTS:mdrun_objlib>
         )
 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
-gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
+gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 4 INTEGRATION_TEST IGNORE_LEAKS)
+
+set(testname "MdrunMultiSimReplexEquivalenceTests")
+set(exename "mdrun-multisim-replex-equivalence-test")
+
+gmx_add_gtest_executable(${exename} MPI
+    CPP_SOURCE_FILES
+        # files with code for tests
+       multisimtest.cpp
+        replicaexchange_equivalence.cpp
+        # pseudo-library for code for mdrun
+        $<TARGET_OBJECTS:mdrun_objlib>
+        )
+target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
+gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 4 INTEGRATION_TEST IGNORE_LEAKS)
 
 # Tests that only make sense to run with multiple ranks and/or real
 # MPI are implemented here. Special case for slow PME tests
@@ -198,30 +240,67 @@ target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 
 # Slow-running tests that target testing multiple-rank coordination behaviors
-set(exename "mdrun-mpi-coordination-test")
+# These tests are extremely slow without optimization or OpenMP, so only run them for
+# build types like Release or RelWithDebInfo and if the build has been configured
+# with OpenMP enabled
+set(exename "mdrun-mpi-coordination-basic-test")
 gmx_add_gtest_executable(${exename} MPI
     CPP_SOURCE_FILES
         # files with code for tests
         periodicactions.cpp
+       periodicactions_basic.cpp
         # pseudo-library for code for mdrun
         $<TARGET_OBJECTS:mdrun_objlib>
         )
 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 
-# These tests are extremely slow without optimization or OpenMP, so only run them for
-# build types like Release or RelWithDebInfo and if the build has been configured
-# with OpenMP enabled.
 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
-    set(testname "MdrunMpiCoordinationTestsOneRank")
+    set(testname "MdrunMpiCoordinationBasicTestsOneRank")
     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
-    set(testname "MdrunMpiCoordinationTestsTwoRanks")
+    set(testname "MdrunMpiCoordinationBasicTestsTwoRanks")
+    gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
+endif()
+
+set(exename "mdrun-mpi-coordination-coupling-test")
+gmx_add_gtest_executable(${exename} MPI
+    CPP_SOURCE_FILES
+        # files with code for tests
+        periodicactions.cpp
+       periodicactions_coupling.cpp
+        # pseudo-library for code for mdrun
+        $<TARGET_OBJECTS:mdrun_objlib>
+        )
+target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
+
+if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
+    set(testname "MdrunMpiCoordinationCouplingTestsOneRank")
+    gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
+    set(testname "MdrunMpiCoordinationCouplingTestsTwoRanks")
+    gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
+endif()
+
+set(exename "mdrun-mpi-coordination-constraints-test")
+gmx_add_gtest_executable(${exename} MPI
+    CPP_SOURCE_FILES
+        # files with code for tests
+        periodicactions.cpp
+       periodicactions_constraints.cpp
+        # pseudo-library for code for mdrun
+        $<TARGET_OBJECTS:mdrun_objlib>
+        )
+target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
+
+if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
+    set(testname "MdrunMpiCoordinationConstraintsTestsOneRank")
+    gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
+    set(testname "MdrunMpiCoordinationConstraintsTestsTwoRanks")
     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
 endif()
 
 # Keeping the FEP tests separate for now to be able to judge runtime more easily
 # Can be included in mdrun tests later
 set(testname "MdrunFEPTests")
-set(exename "mdrunfep-test")
+set(exename "mdrun-fep-test")
 
 gmx_add_gtest_executable(${exename}
         CPP_SOURCE_FILES
@@ -232,6 +311,21 @@ gmx_add_gtest_executable(${exename}
 )
 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 # TODO: Link specific modules: topology
+
+# End-to-end test for pull functionality
+target_link_libraries(${exename} PRIVATE legacy_modules)
+gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
+set(testname "MdrunPullTests")
+set(exename "mdrun-pull-test")
+
+gmx_add_gtest_executable(${exename}
+        CPP_SOURCE_FILES
+        # files with code for tests
+        pull.cpp
+        # pseudo-library for code for mdrun
+        $<TARGET_OBJECTS:mdrun_objlib>
+)
+target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 target_link_libraries(${exename} PRIVATE legacy_modules)
 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 
@@ -248,3 +342,17 @@ gmx_add_gtest_executable(${exename}
         )
 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
+
+# Tests checking virtual sites - we want to run them with multiple ranks
+set(testname "MdrunVirtualSiteTests")
+set(exename "mdrun-vsites-test")
+
+gmx_add_gtest_executable(${exename} MPI
+        CPP_SOURCE_FILES
+        # files with code for tests
+        virtualsites.cpp
+        # pseudo-library for code for mdrun
+        $<TARGET_OBJECTS:mdrun_objlib>
+        )
+target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
+gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 INTEGRATION_TEST IGNORE_LEAKS)