128 lines
6.2 KiB
CMake
128 lines
6.2 KiB
CMake
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find_package(YAML)
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if(NOT YAML_FOUND)
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message(STATUS "Skipping tests because libyaml is not found")
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return()
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endif()
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if(CMAKE_VERSION VERSION_LESS 3.12)
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# adjust so we find Python 3 versions before Python 2 on old systems with old CMake
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set(Python_ADDITIONAL_VERSIONS 3.8 3.7 3.6 3.5)
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find_package(PythonInterp) # Deprecated since version 3.12
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if(PYTHONINTERP_FOUND)
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set(Python_EXECUTABLE ${PYTHON_EXECUTABLE})
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endif()
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else()
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find_package(Python COMPONENTS Interpreter)
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endif()
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if (Python_EXECUTABLE)
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add_custom_target(check-tests
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${Python_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/check_tests.py
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-s ${LAMMPS_SOURCE_DIR} -t ${CMAKE_CURRENT_SOURCE_DIR}/tests
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COMMENT "Check completeness of force style tests")
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endif()
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set(TEST_INPUT_FOLDER ${CMAKE_CURRENT_SOURCE_DIR}/tests)
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add_library(style_tests STATIC yaml_writer.cpp error_stats.cpp test_config_reader.cpp test_main.cpp)
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target_compile_definitions(style_tests PRIVATE -DTEST_INPUT_FOLDER=${TEST_INPUT_FOLDER})
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target_include_directories(style_tests PRIVATE ${LAMMPS_SOURCE_DIR})
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target_link_libraries(style_tests PUBLIC GTest::GTest GTest::GMock Yaml::Yaml)
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if(BUILD_MPI)
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target_link_libraries(style_tests PUBLIC MPI::MPI_CXX)
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else()
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target_link_libraries(style_tests PUBLIC mpi_stubs)
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endif()
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# propagate sanitizer options to test tools
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if (NOT ENABLE_SANITIZER STREQUAL "none")
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if(CMAKE_VERSION VERSION_GREATER_EQUAL 3.13)
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target_compile_options(style_tests PUBLIC -fsanitize=${ENABLE_SANITIZER})
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target_link_options(style_tests PUBLIC -fsanitize=${ENABLE_SANITIZER})
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endif()
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endif()
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# unit test for error stats class
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add_executable(test_error_stats test_error_stats.cpp)
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target_include_directories(test_error_stats PRIVATE ${CMAKE_CURRENT_SOURCE_DIR} ${LAMMPS_SOURCE_DIR})
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target_link_libraries(test_error_stats PRIVATE GTest::GTestMain GTest::GTest)
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add_test(NAME ErrorStats COMMAND test_error_stats)
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# pair style tester
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add_executable(test_pair_style test_pair_style.cpp)
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target_link_libraries(test_pair_style PRIVATE lammps style_tests)
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if(FFT_SINGLE)
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target_compile_definitions(test_pair_style PRIVATE -DFFT_SINGLE)
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endif()
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# tests for a molecular systems and related pair styles
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file(GLOB MOL_PAIR_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/mol-pair-*.yaml)
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# cannot test MSM with single precision data
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if (FFT_SINGLE)
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list(FILTER MOL_PAIR_TESTS EXCLUDE REGEX "msm")
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endif()
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foreach(TEST ${MOL_PAIR_TESTS})
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string(REGEX REPLACE "^.*mol-pair-(.*)\.yaml" "MolPairStyle:\\1" TNAME ${TEST})
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add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
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endforeach()
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# tests for metal-like atomic systems and related pair styles
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file(GLOB ATOMIC_PAIR_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/atomic-pair-*.yaml)
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foreach(TEST ${ATOMIC_PAIR_TESTS})
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string(REGEX REPLACE "^.*atomic-pair-(.*)\.yaml" "AtomicPairStyle:\\1" TNAME ${TEST})
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add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
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endforeach()
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# tests for Si-like manybody systems and related pair styles
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file(GLOB MANYBODY_PAIR_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/manybody-pair-*.yaml)
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foreach(TEST ${MANYBODY_PAIR_TESTS})
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string(REGEX REPLACE "^.*manybody-pair-(.*)\.yaml" "ManybodyPairStyle:\\1" TNAME ${TEST})
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add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
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endforeach()
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# bond style tester
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add_executable(test_bond_style test_bond_style.cpp)
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target_link_libraries(test_bond_style PRIVATE lammps style_tests)
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file(GLOB BOND_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/bond-*.yaml)
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foreach(TEST ${BOND_TESTS})
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string(REGEX REPLACE "^.*bond-(.*)\.yaml" "BondStyle:\\1" TNAME ${TEST})
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add_test(NAME ${TNAME} COMMAND test_bond_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
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endforeach()
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# angle style tester
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add_executable(test_angle_style test_angle_style.cpp)
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target_link_libraries(test_angle_style PRIVATE lammps style_tests)
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file(GLOB IMPROPER_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/angle-*.yaml)
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foreach(TEST ${ANGLE_TESTS})
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string(REGEX REPLACE "^.*angle-(.*)\.yaml" "AngleStyle:\\1" TNAME ${TEST})
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add_test(NAME ${TNAME} COMMAND test_angle_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
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endforeach()
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# kspace style tester, currently uses the pair style tool
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file(GLOB KSPACE_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/kspace-*.yaml)
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# cannot test MSM with single precision data
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if (FFT_SINGLE)
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list(FILTER KSPACE_TESTS EXCLUDE REGEX "msm")
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endif()
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foreach(TEST ${KSPACE_TESTS})
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string(REGEX REPLACE "^.*kspace-(.*)\.yaml" "KSpaceStyle:\\1" TNAME ${TEST})
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add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
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endforeach()
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# improper style tester
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add_executable(test_improper_style test_improper_style.cpp)
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target_link_libraries(test_improper_style PRIVATE lammps style_tests)
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file(GLOB IMPROPER_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/improper-*.yaml)
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foreach(TEST ${IMPROPER_TESTS})
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string(REGEX REPLACE "^.*improper-(.*)\.yaml" "ImproperStyle:\\1" TNAME ${TEST})
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add_test(NAME ${TNAME} COMMAND test_improper_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
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set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
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endforeach()
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