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cmake: imc-multi test now works without gmx
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@junghans
junghans committed Aug 20, 2020
1 parent 1e38d23 commit 7d999cb
Showing 1 changed file with 21 additions and 23 deletions.
44 changes: 21 additions & 23 deletions src/tools/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -199,29 +199,27 @@ if(ENABLE_TESTING)
set_tests_properties(integration_Compare_csg_imc_solve_reg_output_4 PROPERTIES DEPENDS integration_Run_csg_imc_solve_reg)
set_tests_properties(integration_Compare_csg_imc_solve_reg_output_4 PROPERTIES LABELS "csg;tools;votca;integration")

if(GMX_FOUND)
set(RUNPATH ${CMAKE_CURRENT_BINARY_DIR}/Run_csg_stat_imc_multi)
set(REFPATH ${CMAKE_CURRENT_SOURCE_DIR}/references/LJ1-LJ2/smaller_system)
file(MAKE_DIRECTORY ${RUNPATH})
execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink ${REFPATH}/LJ1-LJ1.dist.tgt ${RUNPATH}/LJ1-LJ1.dist.tgt)
execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink ${REFPATH}/LJ1-LJ2.dist.tgt ${RUNPATH}/LJ1-LJ2.dist.tgt)
execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink ${REFPATH}/LJ2-LJ2.dist.tgt ${RUNPATH}/LJ2-LJ2.dist.tgt)
add_test(NAME integration_Run_csg_stat_imc_multi
COMMAND csg_stat --top ${REFPATH}/topol.xml --trj ${REFPATH}/traj.gro --do-imc
--options ${REFPATH}/settings_imc.xml
WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Run_csg_stat_imc_multi PROPERTIES LABELS "csg;tools;votca;integration")
set_tests_properties(integration_Run_csg_stat_imc_multi PROPERTIES DEPENDS integration_Run_gmx_mdrun_multi)
add_test(NAME integration_Compare_csg_stat-imc_multi_output COMMAND $<TARGET_FILE:VOTCA::votca_compare> --etol ${REGRESSIONTEST_TOLERANCE} -f1 all.imc -f2 ${REFPATH}/all.imc WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Compare_csg_stat-imc_multi_output PROPERTIES DEPENDS integration_Run_csg_stat-imc)
set_tests_properties(integration_Compare_csg_stat-imc_multi_output PROPERTIES LABELS "csg;tools;votca;integration")
add_test(NAME integration_Compare_csg_stat-imc_multi_output_2 COMMAND $<TARGET_FILE:VOTCA::votca_compare> --etol ${REGRESSIONTEST_TOLERANCE} -f1 all.gmc -f2 ${REFPATH}/all.gmc WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_2 PROPERTIES DEPENDS integration_Run_csg_stat-imc)
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_2 PROPERTIES LABELS "csg;tools;votca;integration")
add_test(NAME integration_Compare_csg_stat-imc_multi_output_3 COMMAND ${CMAKE_COMMAND} -E compare_files all.idx ${REFPATH}/all.idx WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_3 PROPERTIES DEPENDS integration_Run_csg_stat-imc)
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_3 PROPERTIES LABELS "csg;tools;votca;integration")
endif()
set(RUNPATH ${CMAKE_CURRENT_BINARY_DIR}/Run_csg_stat_imc_multi)
set(REFPATH ${CMAKE_CURRENT_SOURCE_DIR}/references/LJ1-LJ2/smaller_system)
file(MAKE_DIRECTORY ${RUNPATH})
execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink ${REFPATH}/LJ1-LJ1.dist.tgt ${RUNPATH}/LJ1-LJ1.dist.tgt)
execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink ${REFPATH}/LJ1-LJ2.dist.tgt ${RUNPATH}/LJ1-LJ2.dist.tgt)
execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink ${REFPATH}/LJ2-LJ2.dist.tgt ${RUNPATH}/LJ2-LJ2.dist.tgt)
add_test(NAME integration_Run_csg_stat_imc_multi
COMMAND csg_stat --top ${REFPATH}/topol.xml --trj ${REFPATH}/traj.gro --do-imc
--options ${REFPATH}/settings_imc.xml
WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Run_csg_stat_imc_multi PROPERTIES LABELS "csg;tools;votca;integration")
set_tests_properties(integration_Run_csg_stat_imc_multi PROPERTIES DEPENDS integration_Run_gmx_mdrun_multi)
add_test(NAME integration_Compare_csg_stat-imc_multi_output COMMAND $<TARGET_FILE:VOTCA::votca_compare> --etol ${REGRESSIONTEST_TOLERANCE} -f1 all.imc -f2 ${REFPATH}/all.imc WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Compare_csg_stat-imc_multi_output PROPERTIES DEPENDS integration_Run_csg_stat-imc)
set_tests_properties(integration_Compare_csg_stat-imc_multi_output PROPERTIES LABELS "csg;tools;votca;integration")
add_test(NAME integration_Compare_csg_stat-imc_multi_output_2 COMMAND $<TARGET_FILE:VOTCA::votca_compare> --etol ${REGRESSIONTEST_TOLERANCE} -f1 all.gmc -f2 ${REFPATH}/all.gmc WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_2 PROPERTIES DEPENDS integration_Run_csg_stat-imc)
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_2 PROPERTIES LABELS "csg;tools;votca;integration")
add_test(NAME integration_Compare_csg_stat-imc_multi_output_3 COMMAND ${CMAKE_COMMAND} -E compare_files all.idx ${REFPATH}/all.idx WORKING_DIRECTORY ${RUNPATH})
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_3 PROPERTIES DEPENDS integration_Run_csg_stat-imc)
set_tests_properties(integration_Compare_csg_stat-imc_multi_output_3 PROPERTIES LABELS "csg;tools;votca;integration")

set(RUNPATH ${CMAKE_CURRENT_BINARY_DIR}/Run_csg_resample)
set(REFPATH ${CMAKE_CURRENT_SOURCE_DIR}/references/csg_resample)
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