CMake: Move __DFTD4 to global feature definitions

cmake/CollectBuildInfoVars.cmake

@@ -187,6 +187,12 @@ else()
     set(ABACUS_LIBXC_VERSION "no")
 endif()
 
+if(ENABLE_DFTD4)
+    set(ABACUS_DFTD4_VERSION "yes (v${dftd4_VERSION})")
+else()
+    set(ABACUS_DFTD4_VERSION "no")
+endif()
+
 # Accelerators
 if(USE_CUDA AND CUDAToolkit_VERSION)
     set(ABACUS_CUDA_VERSION "yes (v${CUDAToolkit_VERSION})")
@@ -451,6 +457,7 @@ message("                     LibRI          = ${ABACUS_LIBRI_VERSION}")
 if(ENABLE_EXX_DEV)
   message("                                      (EXX developing features enabled)")
 endif()
+message("                     DFT-D4         = ${ABACUS_DFTD4_VERSION}")
 message("                     RAPIDJSON      = ${ABACUS_RAPIDJSON_VERSION}")
 message("                     PEXSI          = ${ABACUS_PEXSI_VERSION}")
 message("                     CNPY           = ${ABACUS_CNPY_VERSION}")

source/CMakeLists.txt

@@ -67,6 +67,7 @@ set(_abacus_feature_definitions
   $<$<BOOL:${ENABLE_LIBRI}>:TEST_EXX_RADIAL=1>
   $<$<BOOL:${ENABLE_EXX_DEV}>:__EXX_DEV>
   $<$<BOOL:${ENABLE_LIBXC}>:__LIBXC>
+  $<$<BOOL:${ENABLE_DFTD4}>:__DFTD4>
   $<$<BOOL:${MATH_INFO}>:GATHER_INFO>)
 
 if(ABACUS_COMMIT_INFO_INCLUDE_DIR)

source/source_hamilt/module_vdw/CMakeLists.txt

@@ -17,7 +17,6 @@ add_library(vdw OBJECT ${vdw_sources})
 
 if(ENABLE_DFTD4)
   target_link_libraries(vdw PUBLIC dftd4::dftd4)
-  target_compile_definitions(vdw PUBLIC __DFTD4)
 endif()
 
 if(ENABLE_COVERAGE)

source/source_hamilt/module_vdw/test/CMakeLists.txt

@@ -12,6 +12,5 @@ AddTest(
 )
 
 if(ENABLE_DFTD4)
-  target_compile_definitions(MODULE_HAMILT_vdwTest PRIVATE __DFTD4)
   target_link_libraries(MODULE_HAMILT_vdwTest PRIVATE dftd4::dftd4)
 endif()

source/source_io/build_info.h.in

@@ -50,11 +50,14 @@
 #define ABACUS_NEP_VERSION "@ABACUS_NEP_VERSION@"
 #define ABACUS_TENSORFLOW_VERSION "@ABACUS_TENSORFLOW_VERSION@"
 
-// --- Testing & Other Libraries ---
-#define ABACUS_GTEST_VERSION "@ABACUS_GTEST_VERSION@"
-#define ABACUS_GOOGLEBENCH_VERSION "@ABACUS_GOOGLEBENCH_VERSION@"
+// --- Other Libraries ---
+#define ABACUS_DFTD4_VERSION "@ABACUS_DFTD4_VERSION@"
 #define ABACUS_RAPIDJSON_VERSION "@ABACUS_RAPIDJSON_VERSION@"
 #define ABACUS_PEXSI_VERSION "@ABACUS_PEXSI_VERSION@"
 #define ABACUS_CNPY_VERSION "@ABACUS_CNPY_VERSION@"
 
+// --- Testing ---
+#define ABACUS_GTEST_VERSION "@ABACUS_GTEST_VERSION@"
+#define ABACUS_GOOGLEBENCH_VERSION "@ABACUS_GOOGLEBENCH_VERSION@"
+
 #endif // SOURCE_IO_BUILD_INFO_H

source/source_io/parse_args.cpp

@@ -162,15 +162,18 @@ void print_build_info()
     print_info("NEP Support", ABACUS_NEP_VERSION);
     print_info("TensorFlow Support", ABACUS_TENSORFLOW_VERSION);
 
-    // --- 11. Testing & Other Libraries ---
-    print_section("Testing & Other Libraries");
-    print_info("GTest Support", ABACUS_GTEST_VERSION);
-    print_info("Google Benchmark", ABACUS_GOOGLEBENCH_VERSION);
+    // --- 11. Other Libraries ---
+    print_section("Other Libraries");
+    print_info("DFT-D4 Support", ABACUS_DFTD4_VERSION);
     print_info("RapidJSON Support", ABACUS_RAPIDJSON_VERSION);
     print_info("PEXSI Support", ABACUS_PEXSI_VERSION);
     print_info("cnpy Support", ABACUS_CNPY_VERSION);
 
-    std::cout << "----------------------------------------------------" << std::endl;
+    // --- 12. Testing ---
+    print_section("Testing");
+    print_info("GTest Support", ABACUS_GTEST_VERSION);
+    print_info("Google Benchmark", ABACUS_GOOGLEBENCH_VERSION);
+
     std::cout << std::endl;
 }