# -*- CMake -*- file for tests calling Python from LAMMPS (and importing # the LAMMPS module inside those functions). This can do an "anonymous" # import of symbols from the executable, so the shared library is not # needed. The availability of the PYTHON package is tested for inside # the tester. set(TEST_INPUT_FOLDER ${CMAKE_CURRENT_SOURCE_DIR}) # we must have shared libraries enabled for testing the python module if(NOT BUILD_SHARED_LIBS) message(STATUS "Skipping Tests for the LAMMPS Python Module: must enable BUILD_SHARED_LIBS") return() endif() find_package(Python 3.6 COMPONENTS Interpreter Development) if(PKG_PYTHON) add_executable(test_python_package test_python_package.cpp) target_link_libraries(test_python_package PRIVATE lammps GTest::GMock) target_compile_definitions(test_python_package PRIVATE -DTEST_INPUT_FOLDER=${TEST_INPUT_FOLDER}) if(Python_Development_FOUND) target_compile_definitions(test_python_package PRIVATE -DTEST_HAVE_PYTHON_DEVELOPMENT=1) target_link_libraries(test_python_package PRIVATE Python::Python) endif() add_test(NAME PythonPackage COMMAND test_python_package) endif() # build list of environment variables for testing python functionality if(WIN32) set(PYTHON_TEST_ENVIRONMENT PYTHONPATH=${LAMMPS_PYTHON_DIR}) else() set(PYTHON_TEST_ENVIRONMENT PYTHONPATH=${LAMMPS_PYTHON_DIR}:$ENV{PYTHONPATH}) endif() get_property(BUILD_IS_MULTI_CONFIG GLOBAL PROPERTY GENERATOR_IS_MULTI_CONFIG) if(BUILD_IS_MULTI_CONFIG) set(LAMMPS_LIB_PATH ${CMAKE_BINARY_DIR}/$) else() set(LAMMPS_LIB_PATH ${CMAKE_BINARY_DIR}) endif() list(APPEND PYTHON_TEST_ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}") list(APPEND PYTHON_TEST_ENVIRONMENT "PYTHONUNBUFFERED=1") list(APPEND PYTHON_TEST_ENVIRONMENT "PYTHONDONTWRITEBYTECODE=1") if(APPLE) list(APPEND PYTHON_TEST_ENVIRONMENT "DYLD_LIBRARY_PATH=${LAMMPS_LIB_PATH}:$ENV{DYLD_LIBRARY_PATH}") elseif(WIN32) list(APPEND PYTHON_TEST_ENVIRONMENT "LAMMPSDLLPATH=${LAMMPS_LIB_PATH}") else() list(APPEND PYTHON_TEST_ENVIRONMENT "LD_LIBRARY_PATH=${LAMMPS_LIB_PATH}:$ENV{LD_LIBRARY_PATH}") endif() if(PKG_PYTHON) set_tests_properties(PythonPackage PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") endif() if(Python_EXECUTABLE) list(APPEND PYTHON_TEST_ENVIRONMENT "TEST_INPUT_DIR=${CMAKE_CURRENT_SOURCE_DIR}") list(APPEND PYTHON_TEST_ENVIRONMENT "LAMMPS_CMAKE_CACHE=${CMAKE_BINARY_DIR}/CMakeCache.txt") if(LAMMPS_MACHINE) # convert from '_machine' to 'machine' string(SUBSTRING ${LAMMPS_MACHINE} 1 -1 LAMMPS_MACHINE_NAME) list(APPEND PYTHON_TEST_ENVIRONMENT LAMMPS_MACHINE_NAME=${LAMMPS_MACHINE_NAME}) endif() if(ENABLE_COVERAGE) find_program(COVERAGE_BINARY coverage) find_package_handle_standard_args(COVERAGE DEFAULT_MSG COVERAGE_BINARY) if(COVERAGE_FOUND) set(PYTHON_TEST_RUNNER ${Python_EXECUTABLE} -u ${COVERAGE_BINARY} run --rcfile=${CMAKE_BINARY_DIR}/.coveragerc) else() set(PYTHON_TEST_RUNNER ${Python_EXECUTABLE} -u) endif() else() set(PYTHON_TEST_RUNNER ${Python_EXECUTABLE} -u) endif() add_test(NAME PythonOpen COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-open.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonOpen PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") add_test(NAME PythonCommands COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-commands.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonCommands PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") # randomly failing on macOS with python 3.12 if(NOT APPLE) add_test(NAME PythonNumpy COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-numpy.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonNumpy PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") endif() add_test(NAME PythonCapabilities COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-capabilities.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonCapabilities PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") # randomly failing on macOS with python 3.12 if(NOT APPLE) add_test(NAME PythonPyLammps COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-pylammps.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonPyLammps PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") endif() add_test(NAME PythonCmdWrapper COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-cmdwrapper.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonCmdWrapper PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") add_test(NAME PythonFormats COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-formats.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonFormats PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") add_test(NAME PythonPizza COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-pizza.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonPizza PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") add_test(NAME PythonFixExternal COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-fix-external.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonFixExternal PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") add_test(NAME PythonScatterGather COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-scatter-gather.py -v WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH}) set_tests_properties(PythonScatterGather PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}") else() message(STATUS "Skipping Tests for the LAMMPS Python Module: no suitable Python interpreter") endif()