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Merge remote-tracking branch 'origin/develop' into python_use_setuptools

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This commit is contained in:
Richard Berger
2022-02-02 11:47:13 -05:00
parent d9c51ca124 172f88a0d5
commit 82ac7c9e12
1747 changed files with 14406 additions and 11299 deletions
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47
unittest/python/CMakeLists.txt
View File

@ -12,7 +12,7 @@ if(NOT BUILD_SHARED_LIBS)
endif()
if(CMAKE_VERSION VERSION_LESS 3.12)
find_package(PythonInterp 3.5) # Deprecated since version 3.12
find_package(PythonInterp 3.6) # Deprecated since version 3.12
if(PYTHONINTERP_FOUND)
set(Python_EXECUTABLE ${PYTHON_EXECUTABLE})
endif()
@ -28,25 +28,34 @@ 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 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}:$ENV{PYTHONPATH};PYTHONUNBUFFERED=1")
add_test(NAME PythonPackage COMMAND test_python_package)
# build list of environment variables for testing python functionality
if(WIN32)
set(PYTHON_TEST_ENVIRONMENT PYTHONPATH=${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 ${CMAKE_BINARY_DIR}/$<CONFIG>)
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")
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}:$ENV{LD_LIBRARY_PATH}")
endif()
set_tests_properties(PythonPackage PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}")
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})
get_property(BUILD_IS_MULTI_CONFIG GLOBAL PROPERTY GENERATOR_IS_MULTI_CONFIG)
if(BUILD_IS_MULTI_CONFIG)
set(LAMMPS_LIB_PATH ${CMAKE_BINARY_DIR}/$<CONFIG>)
else()
set(LAMMPS_LIB_PATH ${CMAKE_BINARY_DIR})
endif()
list(APPEND PYTHON_TEST_ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
list(APPEND PYTHON_TEST_ENVIRONMENT "TEST_INPUT_DIR=${CMAKE_CURRENT_SOURCE_DIR}")
if(APPLE)
list(APPEND PYTHON_TEST_ENVIRONMENT "DYLD_LIBRARY_PATH=${LAMMPS_LIB_PATH}:$ENV{DYLD_LIBRARY_PATH};LAMMPS_CMAKE_CACHE=${CMAKE_BINARY_DIR}/CMakeCache.txt")
else()
list(APPEND PYTHON_TEST_ENVIRONMENT "LD_LIBRARY_PATH=${LAMMPS_LIB_PATH}:$ENV{LD_LIBRARY_PATH};LAMMPS_CMAKE_CACHE=${CMAKE_BINARY_DIR}/CMakeCache.txt")
endif()
list(APPEND PYTHON_TEST_ENVIRONMENT "LAMMPS_CMAKE_CACHE=${CMAKE_BINARY_DIR}/CMakeCache.txt")
if(LAMMPS_MACHINE)
# convert from '_machine' to 'machine'
string(SUBSTRING ${LAMMPS_MACHINE} 1 -1 LAMMPS_MACHINE_NAME)
@ -89,10 +98,14 @@ if(Python_EXECUTABLE)
WORKING_DIRECTORY ${EXECUTABLE_OUTPUT_PATH})
set_tests_properties(PythonCapabilities PROPERTIES ENVIRONMENT "${PYTHON_TEST_ENVIRONMENT}")
if(CMAKE_SYSTEM_NAME STREQUAL "Windows")
message(STATUS "Skipping Tests for PyLammps Module: not yet ported to Windows")
else()
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 PythonFormats
COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-formats.py -v

12
unittest/python/test_python_package.cpp
View File

@ -43,9 +43,9 @@ bool verbose = false;
using LAMMPS_NS::utils::split_words;
namespace LAMMPS_NS {
using ::testing::ContainsRegex;
using ::testing::Eq;
using ::testing::HasSubstr;
using ::testing::MatchesRegex;
using ::testing::StrEq;
class PythonPackageTest : public LAMMPSTest {
@ -89,7 +89,7 @@ TEST_F(PythonPackageTest, InvokeFunctionFromFile)
auto output = CAPTURE_OUTPUT([&]() {
command("python printnum invoke");
});
ASSERT_THAT(output, HasSubstr("2.25\n"));
ASSERT_THAT(output, HasSubstr("2.25"));
}
#if defined(TEST_HAVE_PYTHON_DEVELOPMENT)
@ -210,7 +210,7 @@ TEST_F(PythonPackageTest, InvokeOtherFunctionFromFile)
auto output = CAPTURE_OUTPUT([&] {
command("python printtxt invoke");
});
ASSERT_THAT(output, HasSubstr("sometext\n"));
ASSERT_THAT(output, HasSubstr("sometext"));
}
TEST_F(PythonPackageTest, InvokeFunctionThatUsesLAMMPSModule)
@ -224,7 +224,7 @@ TEST_F(PythonPackageTest, InvokeFunctionThatUsesLAMMPSModule)
auto output = CAPTURE_OUTPUT([&] {
command("python getidxvar invoke");
});
ASSERT_THAT(output, HasSubstr("2.25\n"));
ASSERT_THAT(output, HasSubstr("2.25"));
}
TEST_F(PythonPackageTest, python_variable)
@ -238,7 +238,7 @@ TEST_F(PythonPackageTest, python_variable)
std::string output = CAPTURE_OUTPUT([&] {
command("print \"${sq}\"");
});
ASSERT_THAT(output, MatchesRegex("print.*2.25.*"));
ASSERT_THAT(output, ContainsRegex("print.*\n.*2.25.*"));
}
TEST_F(PythonPackageTest, InlineFunction)
@ -309,7 +309,7 @@ TEST_F(FixPythonInvokeTest, end_of_step)
auto output = CAPTURE_OUTPUT([&] {
command("run 50");
});
fprintf(stderr,"lines: %s\n",output.c_str());
auto lines = utils::split_lines(output);
int count = 0;