# Test 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() if(CMAKE_VERSION VERSION_LESS 3.12) find_package(PythonInterp 3.5) # Deprecated since version 3.12 if(PYTHONINTERP_FOUND) set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) endif() else() find_package(Python3 COMPONENTS Interpreter Development) endif() add_executable(test_python_package test_python_package.cpp) target_link_libraries(test_python_package PRIVATE lammps GTest::GMock GTest::GTest) target_compile_definitions(test_python_package PRIVATE -DTEST_INPUT_FOLDER=${TEST_INPUT_FOLDER}) # this requires CMake 3.12. don't care to add backward compatibility for this. if(Python3_Development_FOUND) target_compile_definitions(test_python_package PRIVATE -DTEST_HAVE_PYTHON_DEVELOPMENT=1) target_link_libraries(test_python_package PRIVATE Python3::Python) endif() add_test(NAME PythonPackage COMMAND test_python_package WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) set_tests_properties(PythonPackage PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}:${LAMMPS_PYTHON_DIR}:$ENV{PYTHONPATH};PYTHONUNBUFFERED=1") if(Python_EXECUTABLE) # prepare to augment the environment so that the LAMMPS python module and the shared library is found. set(PYTHON_TEST_ENVIRONMENT PYTHONPATH=${LAMMPS_PYTHON_DIR}:$ENV{PYTHONPATH}) list(APPEND PYTHON_TEST_ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}") list(APPEND PYTHON_TEST_ENVIRONMENT "TEST_INPUT_DIR=${CMAKE_CURRENT_SOURCE_DIR}") if(APPLE) list(APPEND PYTHON_TEST_ENVIRONMENT "DYLD_LIBRARY_PATH=${CMAKE_BINARY_DIR}:$ENV{DYLD_LIBRARY_PATH};LAMMPS_CMAKE_CACHE=${CMAKE_BINARY_DIR}/CMakeCache.txt") else() list(APPEND PYTHON_TEST_ENVIRONMENT "LD_LIBRARY_PATH=${CMAKE_BINARY_DIR}:$ENV{LD_LIBRARY_PATH};LAMMPS_CMAKE_CACHE=${CMAKE_BINARY_DIR}/CMakeCache.txt") endif() 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}") # some of the tests in this file will fail without exceptions enabled if(LAMMPS_EXCEPTIONS) 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}") endif() 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}") 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}") 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}") 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 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()