From 4ac351eba630c3155e5c90956025bc966a575602 Mon Sep 17 00:00:00 2001
From: Richard Berger <richard.berger@temple.edu>
Date: Fri, 19 Nov 2021 09:09:56 -0500
Subject: [PATCH] Add tags to force-style tests

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.
---
 unittest/force-styles/CMakeLists.txt         | 25 ++++++++++++++++++++
 unittest/force-styles/test_config.h          | 15 ++++++++++++
 unittest/force-styles/test_config_reader.cpp | 11 +++++++++
 unittest/force-styles/test_config_reader.h   |  1 +
 unittest/force-styles/test_main.cpp          |  3 +++
 5 files changed, 55 insertions(+)

diff --git a/unittest/force-styles/CMakeLists.txt b/unittest/force-styles/CMakeLists.txt
index 39730e6aeb..464cd9426a 100644
--- a/unittest/force-styles/CMakeLists.txt
+++ b/unittest/force-styles/CMakeLists.txt
@@ -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()
diff --git a/unittest/force-styles/test_config.h b/unittest/force-styles/test_config.h
index bf4f867f3b..ef4d911b60 100644
--- a/unittest/force-styles/test_config.h
+++ b/unittest/force-styles/test_config.h
@@ -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 &){};
 };
diff --git a/unittest/force-styles/test_config_reader.cpp b/unittest/force-styles/test_config_reader.cpp
index 65e9e4b0f6..e6cf73f10e 100644
--- a/unittest/force-styles/test_config_reader.cpp
+++ b/unittest/force-styles/test_config_reader.cpp
@@ -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));
+    }
+}
diff --git a/unittest/force-styles/test_config_reader.h b/unittest/force-styles/test_config_reader.h
index bf69f149fe..1f0de8df0a 100644
--- a/unittest/force-styles/test_config_reader.h
+++ b/unittest/force-styles/test_config_reader.h
@@ -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
diff --git a/unittest/force-styles/test_main.cpp b/unittest/force-styles/test_main.cpp
index 1ad0b79455..2680804fdf 100644
--- a/unittest/force-styles/test_main.cpp
+++ b/unittest/force-styles/test_main.cpp
@@ -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));