ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Merge branch 'develop' into cmake-3.16

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-08-04 04:26:30 -04:00
parent 2305c4cb30 e87bbf4edb
commit ecb28e8e2e
60 changed files with 3337 additions and 3429 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
unittest/c-library/CMakeLists.txt
View File

@ -47,13 +47,6 @@ else()
endif()
list(APPEND TEST_CONFIG_DEFS -DLAMMPS_HAS_MPI=${HAS_MPI})
if(LAMMPS_EXCEPTIONS)
set(HAS_EXCEPTIONS 1)
else()
set(HAS_EXCEPTIONS 0)
endif()
list(APPEND TEST_CONFIG_DEFS -DLAMMPS_HAS_EXCEPTIONS=${HAS_EXCEPTIONS})
foreach(WITH "JPEG" "PNG" "GZIP" "FFMPEG")
if(WITH_${WITH})
set(HAS_${WITH} 1)

2
unittest/c-library/test_library_config.cpp
View File

@ -195,7 +195,7 @@ TEST_F(LibraryConfig, force_timeout)
TEST(LAMMPSConfig, exceptions)
{
EXPECT_EQ(lammps_config_has_exceptions(), LAMMPS_HAS_EXCEPTIONS);
EXPECT_EQ(lammps_config_has_exceptions(), 1);
};
TEST(LAMMPSConfig, mpi_support)

3
unittest/c-library/test_library_properties.cpp
View File

@ -518,9 +518,6 @@ TEST_F(LibraryProperties, neighlist)
TEST_F(LibraryProperties, has_error)
{
// need errors to throw exceptions to be able to intercept them.
if (!lammps_config_has_exceptions()) GTEST_SKIP();
EXPECT_EQ(lammps_has_error(lmp), 0);
// trigger an error, but hide output

3
unittest/commands/test_compute_chunk.cpp
View File

@ -402,9 +402,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_compute_global.cpp
View File

@ -393,9 +393,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_delete_atoms.cpp
View File

@ -161,9 +161,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_groups.cpp
View File

@ -469,9 +469,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_kim_commands.cpp
View File

@ -683,9 +683,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_labelmap.cpp
View File

@ -299,9 +299,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_lattice_region.cpp
View File

@ -632,9 +632,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_regions.cpp
View File

@ -285,9 +285,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_reset_atoms.cpp
View File

@ -806,9 +806,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_set_property.cpp
View File

@ -460,9 +460,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_simple_commands.cpp
View File

@ -560,9 +560,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/commands/test_variables.cpp
View File

@ -774,9 +774,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/cplusplus/test_advanced_utils.cpp
View File

@ -224,9 +224,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/cplusplus/test_error_class.cpp
View File

@ -125,9 +125,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (LAMMPS_NS::platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);

3
unittest/formats/test_file_operations.cpp
View File

@ -618,9 +618,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = split_words(var);

3
unittest/formats/test_molecule_file.cpp
View File

@ -409,9 +409,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = split_words(var);

3
unittest/formats/test_potential_file_reader.cpp
View File

@ -323,9 +323,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = split_words(var);

3
unittest/formats/test_text_file_reader.cpp
View File

@ -166,9 +166,6 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (platform::mpi_vendor() == "Open MPI" && !Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. Death tests will be skipped\n";
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = split_words(var);

3
unittest/fortran/wrap_properties.cpp
View File

@ -123,9 +123,6 @@ TEST_F(LAMMPS_properties, extract_setting)
TEST_F(LAMMPS_properties, has_error)
{
// need errors to throw exceptions to be able to intercept them.
if (!lammps_config_has_exceptions()) GTEST_SKIP();
EXPECT_EQ(f_lammps_has_error(), lammps_has_error(lmp));
EXPECT_EQ(f_lammps_has_error(), 0);

11
unittest/python/CMakeLists.txt
View File

@ -79,13 +79,10 @@ if(Python_EXECUTABLE)
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 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}")
add_test(NAME PythonNumpy
COMMAND ${PYTHON_TEST_RUNNER} ${CMAKE_CURRENT_SOURCE_DIR}/python-numpy.py -v

6
unittest/python/python-open.py
View File

@ -4,7 +4,7 @@ from lammps import lammps
has_mpi=False
has_mpi4py=False
has_exceptions=False
try:
from mpi4py import __version__ as mpi4py_version
# tested to work with mpi4py versions 2 and 3
@ -19,7 +19,6 @@ try:
machine = ""
lmp = lammps(name=machine)
has_mpi = lmp.has_mpi_support
has_exceptions = lmp.has_exceptions
lmp.close()
except:
pass
@ -79,7 +78,6 @@ class PythonOpen(unittest.TestCase):
self.assertEqual(lmp.opened,1)
lmp.close()
@unittest.skipIf(not has_exceptions,"Skipping death test since LAMMPS isn't compiled with exception support")
def testUnknownCommand(self):
lmp = lammps(name=self.machine)
@ -88,7 +86,6 @@ class PythonOpen(unittest.TestCase):
lmp.close()
@unittest.skipIf(not has_exceptions,"Skipping death test since LAMMPS isn't compiled with exception support")
def testUnknownCommandInList(self):
lmp = lammps(name=self.machine)
@ -97,7 +94,6 @@ class PythonOpen(unittest.TestCase):
lmp.close()
@unittest.skipIf(not has_exceptions,"Skipping death test since LAMMPS isn't compiled with exception support")
def testUnknownCommandInString(self):
lmp = lammps(name=self.machine)

21
unittest/testing/core.h
View File

@ -32,21 +32,12 @@ using LAMMPS_NS::LAMMPSException;
using ::testing::ContainsRegex;
#define TEST_FAILURE(errmsg, ...) \
if (Info::has_exceptions()) { \
::testing::internal::CaptureStdout(); \
ASSERT_ANY_THROW({__VA_ARGS__}); \
auto mesg = ::testing::internal::GetCapturedStdout(); \
ASSERT_THAT(mesg, ContainsRegex(errmsg)); \
} else { \
if (LAMMPS_NS::platform::mpi_vendor() != "Open MPI") { \
::testing::internal::CaptureStdout(); \
ASSERT_DEATH({__VA_ARGS__}, ""); \
auto mesg = ::testing::internal::GetCapturedStdout(); \
ASSERT_THAT(mesg, ContainsRegex(errmsg)); \
} else { \
std::cerr << "[ ] [ INFO ] Skipping death test (no exception support) \n"; \
} \
#define TEST_FAILURE(errmsg, ...) \
{ \
::testing::internal::CaptureStdout(); \
ASSERT_ANY_THROW({__VA_ARGS__}); \
auto mesg = ::testing::internal::GetCapturedStdout(); \
ASSERT_THAT(mesg, ContainsRegex(errmsg)); \
}
// whether to print verbose output (i.e. not capturing LAMMPS screen output).

16
unittest/utils/test_lepton.cpp
View File

@ -73,16 +73,14 @@ TEST_F(LeptonUtilsTest, substitute)
lmp->update->reset_timestep(100LL, false);
ASSERT_THAT(LeptonUtils::substitute("(2.5/v_pre)", lmp), StrEq("(2.5/0.1)"));
if (LAMMPS_NS::Info::has_exceptions()) {
bool caught = false;
try {
LeptonUtils::substitute("v_none", lmp);
} catch (std::exception &e) {
ASSERT_THAT(e.what(), StrEq("Variable none in expression v_none does not exist"));
caught = true;
}
ASSERT_TRUE(caught);
bool caught = false;
try {
LeptonUtils::substitute("v_none", lmp);
} catch (std::exception &e) {
ASSERT_THAT(e.what(), StrEq("Variable none in expression v_none does not exist"));
caught = true;
}
ASSERT_TRUE(caught);
}
// zbl() custom function