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Add tags to force-style tests

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Adds an optional "tags" entry in the force style test YAML. This is a
comma-separated list of keywords, which are parsed by CMake and added as labels
for CTest.  This allows more fine-grained filtering of tests. Any
newly-generated YAML file automatically adds the "generated" tag.
This commit is contained in:
Richard Berger
2021-11-19 09:09:56 -05:00
parent 229ce0a61b
commit 4ac351eba6
5 changed files with 55 additions and 0 deletions
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25
unittest/force-styles/CMakeLists.txt
View File

@ -12,6 +12,13 @@ if(NOT YAML_FOUND)
add_library(Yaml::Yaml ALIAS yaml)
endif()
function(extract_tags out yaml_file)
file(STRINGS ${yaml_file} TAGS_LINE REGEX "^tags:")
string(REPLACE "tags:" "" TAGS_LINE "${TAGS_LINE}")
string(REGEX MATCHALL "[^, \t\r\n]+" TAGS "${TAGS_LINE}")
set(${out} "${TAGS}" PARENT_SCOPE)
endfunction()
if(CMAKE_VERSION VERSION_LESS 3.12)
# adjust so we find Python 3 versions before Python 2 on old systems with old CMake
set(Python_ADDITIONAL_VERSIONS 3.8 3.7 3.6 3.5)
@ -73,24 +80,30 @@ if(FFT_SINGLE)
endif()
foreach(TEST ${MOL_PAIR_TESTS})
string(REGEX REPLACE "^.*mol-pair-(.*)\.yaml" "MolPairStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# tests for metal-like atomic systems and related pair styles
file(GLOB ATOMIC_PAIR_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/atomic-pair-*.yaml)
foreach(TEST ${ATOMIC_PAIR_TESTS})
string(REGEX REPLACE "^.*atomic-pair-(.*)\.yaml" "AtomicPairStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# tests for Si-like manybody systems and related pair styles
file(GLOB MANYBODY_PAIR_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/manybody-pair-*.yaml)
foreach(TEST ${MANYBODY_PAIR_TESTS})
string(REGEX REPLACE "^.*manybody-pair-(.*)\.yaml" "ManybodyPairStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# bond style tester
@ -100,8 +113,10 @@ target_link_libraries(test_bond_style PRIVATE lammps style_tests)
file(GLOB BOND_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/bond-*.yaml)
foreach(TEST ${BOND_TESTS})
string(REGEX REPLACE "^.*bond-(.*)\.yaml" "BondStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_bond_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# angle style tester
@ -111,8 +126,10 @@ target_link_libraries(test_angle_style PRIVATE lammps style_tests)
file(GLOB ANGLE_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/angle-*.yaml)
foreach(TEST ${ANGLE_TESTS})
string(REGEX REPLACE "^.*angle-(.*)\.yaml" "AngleStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_angle_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# kspace style tester, currently uses the pair style tool
@ -123,8 +140,10 @@ if(FFT_SINGLE)
endif()
foreach(TEST ${KSPACE_TESTS})
string(REGEX REPLACE "^.*kspace-(.*)\.yaml" "KSpaceStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_pair_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# tester for timestepping fixes
@ -138,8 +157,10 @@ target_link_libraries(test_fix_timestep PRIVATE lammps style_tests)
file(GLOB FIX_TIMESTEP_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/fix-timestep-*.yaml)
foreach(TEST ${FIX_TIMESTEP_TESTS})
string(REGEX REPLACE "^.*fix-timestep-(.*)\.yaml" "FixTimestep:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_fix_timestep ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:${LAMMPS_PYTHON_DIR}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# dihedral style tester
@ -149,8 +170,10 @@ target_link_libraries(test_dihedral_style PRIVATE lammps style_tests)
file(GLOB DIHEDRAL_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/dihedral-*.yaml)
foreach(TEST ${DIHEDRAL_TESTS})
string(REGEX REPLACE "^.*dihedral-(.*)\.yaml" "DihedralStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_dihedral_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()
# improper style tester
@ -160,6 +183,8 @@ target_link_libraries(test_improper_style PRIVATE lammps style_tests)
file(GLOB IMPROPER_TESTS LIST_DIRECTORIES false ${TEST_INPUT_FOLDER}/improper-*.yaml)
foreach(TEST ${IMPROPER_TESTS})
string(REGEX REPLACE "^.*improper-(.*)\.yaml" "ImproperStyle:\\1" TNAME ${TEST})
extract_tags(TEST_TAGS ${TEST})
add_test(NAME ${TNAME} COMMAND test_improper_style ${TEST} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(${TNAME} PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${TEST_INPUT_FOLDER}:$ENV{PYTHONPATH}")
set_tests_properties(${TNAME} PROPERTIES LABELS "${TEST_TAGS}")
endforeach()

15
unittest/force-styles/test_config.h
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@ -16,6 +16,7 @@
#include <set>
#include <string>
#include <sstream>
#include <utility>
#include <vector>
@ -37,6 +38,7 @@ public:
std::vector<std::pair<std::string, std::string>> prerequisites;
std::vector<std::string> pre_commands;
std::vector<std::string> post_commands;
std::vector<std::string> tags;
std::string input_file;
std::string pair_style;
std::string bond_style;
@ -96,6 +98,19 @@ public:
}
virtual ~TestConfig(){};
std::string tags_line() const
{
if(tags.size() > 0) {
std::stringstream line;
line << tags[0];
for(size_t i = 1; i < tags.size(); i++) {
line << ", " << tags[i];
}
return line.str();
}
return "generated";
}
private:
TestConfig(const TestConfig &){};
};

11
unittest/force-styles/test_config_reader.cpp
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@ -27,10 +27,12 @@
#include <vector>
using LAMMPS_NS::utils::split_words;
using LAMMPS_NS::utils::trim;
TestConfigReader::TestConfigReader(TestConfig &config) : YamlReader(), config(config)
{
consumers["lammps_version"] = &TestConfigReader::lammps_version;
consumers["tags"] = &TestConfigReader::tags;
consumers["date_generated"] = &TestConfigReader::date_generated;
consumers["epsilon"] = &TestConfigReader::epsilon;
consumers["skip_tests"] = &TestConfigReader::skip_tests;
@ -367,3 +369,12 @@ void TestConfigReader::global_vector(const yaml_event_t &event)
config.global_vector.push_back(value);
}
}
void TestConfigReader::tags(const yaml_event_t &event)
{
std::stringstream data((char *)event.data.scalar.value);
config.tags.clear();
for (std::string tag; std::getline(data, tag, ','); ) {
config.tags.push_back(trim(tag));
}
}

1
unittest/force-styles/test_config_reader.h
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@ -58,6 +58,7 @@ public:
void run_energy(const yaml_event_t &event);
void global_scalar(const yaml_event_t &event);
void global_vector(const yaml_event_t &event);
void tags(const yaml_event_t &event);
};
#endif

3
unittest/force-styles/test_main.cpp
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@ -46,6 +46,9 @@ void write_yaml_header(YamlWriter *writer, TestConfig *cfg, const char *version)
// lammps_version
writer->emit("lammps_version", version);
// tags
writer->emit("tags", cfg->tags_line());
// date_generated
std::time_t now = time(nullptr);
std::string block = trim(ctime(&now));