Fix: Move math library doscovery before most other dependencies

Author: Growl1234

CMakeLists.txt

@@ -238,16 +238,6 @@ if(NOT DEFINED CMAKE_CXX_STANDARD)
 endif()
 set(CMAKE_CXX_STANDARD_REQUIRED ON)
 
-if(ENABLE_DFTD4)
-  # DFTD4 requires enabling C and Fortran to work
-  enable_language(C)
-  enable_language(Fortran)
-  # Avoid custom-lapack fallback when resolving DFT-D4 dependencies
-  find_package(BLAS REQUIRED)
-  find_package(LAPACK REQUIRED)
-  find_package(dftd4 4.2.0 REQUIRED)
-endif()
-
 macro(set_if_higher VARIABLE VALUE)
   if(${VARIABLE} LESS ${VALUE})
     set(${VARIABLE} ${VALUE})
@@ -308,6 +298,50 @@ if(WIN32)
   abacus_add_feature_definitions(_USE_MATH_DEFINES NOMINMAX _CRT_SECURE_NO_WARNINGS)
 endif()
 
+if(DEFINED ENV{MKLROOT} AND NOT DEFINED MKLROOT)
+  set(MKLROOT "$ENV{MKLROOT}")
+endif()
+if(USE_KML)
+  set(_kml_components BLAS LAPACK FFTW3)
+  if(ENABLE_MPI)
+    list(APPEND _kml_components ScaLAPACK)
+  endif()
+  if(ENABLE_FLOAT_FFTW)
+    list(APPEND _kml_components FFTW3_FLOAT)
+  endif()
+
+  find_package(KML REQUIRED COMPONENTS ${_kml_components})
+  abacus_add_feature_definitions(__KML)
+elseif(MKLROOT OR MKL_ROOT)
+  find_package(MKL REQUIRED)
+  abacus_add_feature_definitions(__MKL)
+elseif(NOT USE_SW)
+  find_package(Lapack REQUIRED)
+  # ScaLAPACK is a distributed-memory library and is only needed for the
+  # MPI build. A serial build (e.g. the native Windows serial version)
+  # must not require it.
+  if(ENABLE_MPI)
+    find_package(ScaLAPACK REQUIRED)
+  endif()
+  if(NOT CMAKE_CXX_COMPILER_ID MATCHES "GNU|Intel|Clang")
+    message(WARNING "Cannot determine the required Fortran runtime.")
+  endif()
+endif()
+
+if(NOT USE_KML AND NOT MKL_FOUND AND NOT USE_SW)
+  find_package(FFTW3 REQUIRED)
+endif()
+
+if(ENABLE_FLOAT_FFTW)
+  abacus_add_feature_definitions(__ENABLE_FLOAT_FFTW)
+endif()
+
+if(ENABLE_DFTD4)
+  enable_language(C)
+  enable_language(Fortran)
+  find_package(dftd4 4.2.0 REQUIRED)
+endif()
+
 if(ENABLE_LCAO)
   find_package(cereal CONFIG REQUIRED)
   abacus_add_feature_definitions(__LCAO)
@@ -350,8 +384,6 @@ if (USE_DSP)
   abacus_add_feature_definitions(__DSP)
 endif()
 
-
-
 if (USE_SW)
   abacus_add_feature_definitions(__SW)
   set(SW ON)
@@ -534,44 +566,6 @@ if(ENABLE_ASAN)
   add_link_options(-fsanitize=address)
 endif()
 
-if(DEFINED ENV{MKLROOT} AND NOT DEFINED MKLROOT)
-  set(MKLROOT "$ENV{MKLROOT}")
-endif()
-if(USE_KML)
-  set(_kml_components BLAS LAPACK FFTW3)
-  if(ENABLE_MPI)
-    list(APPEND _kml_components ScaLAPACK)
-  endif()
-  if(ENABLE_FLOAT_FFTW)
-    list(APPEND _kml_components FFTW3_FLOAT)
-  endif()
-
-  find_package(KML REQUIRED COMPONENTS ${_kml_components})
-  abacus_add_feature_definitions(__KML)
-elseif(MKLROOT OR MKL_ROOT)
-  find_package(MKL REQUIRED)
-  abacus_add_feature_definitions(__MKL)
-elseif(NOT USE_SW)
-  find_package(Lapack REQUIRED)
-  # ScaLAPACK is a distributed-memory library and is only needed for the
-  # MPI build. A serial build (e.g. the native Windows serial version)
-  # must not require it.
-  if(ENABLE_MPI)
-    find_package(ScaLAPACK REQUIRED)
-  endif()
-  if(NOT CMAKE_CXX_COMPILER_ID MATCHES "GNU|Intel|Clang")
-    message(WARNING "Cannot determine the required Fortran runtime.")
-  endif()
-endif()
-
-if(NOT USE_KML AND NOT MKL_FOUND AND NOT USE_SW)
-  find_package(FFTW3 REQUIRED)
-endif()
-
-if(ENABLE_FLOAT_FFTW)
-  abacus_add_feature_definitions(__ENABLE_FLOAT_FFTW)
-endif()
-
 if(ENABLE_MLALGO)
   find_path(libnpy_SOURCE_DIR npy.hpp HINTS ${libnpy_INCLUDE_DIR})
   if(NOT libnpy_SOURCE_DIR)