Fix: standalone FindBLAS.cmake, mislink to global-visible lib

CMakeLists.txt

@@ -396,10 +396,21 @@ if(MKLROOT)
     list(APPEND math_libs -lifcore)
   endif()
 else()
+  # In compatibility to builtin FindLAPACK.cmake before v3.5.4
+  if(DEFINED LAPACK_DIR)
+    string(APPEND CMAKE_PREFIX_PATH ";${LAPACK_DIR}")
+  endif()
+  if(DEFINED LAPACK_LIBRARY)
+    set(LAPACK_LIBRARIES ${LAPACK_LIBRARY})
+  endif()
+  if(DEFINED BLAS_DIR)
+    string(APPEND CMAKE_PREFIX_PATH ";${BLAS_DIR}")
+  endif()
+
   find_package(FFTW3 REQUIRED)
   find_package(LAPACK REQUIRED)
   include_directories(${FFTW3_INCLUDE_DIRS})
-  list(APPEND math_libs FFTW3::FFTW3 LAPACK::LAPACK)
+  list(APPEND math_libs FFTW3::FFTW3 LAPACK::LAPACK BLAS::BLAS)
 
   if(ENABLE_LCAO)
     find_package(ScaLAPACK REQUIRED)
@@ -733,4 +744,4 @@ endif()
 if(ENABLE_RAPIDJSON)
   target_link_libraries(${ABACUS_BIN_NAME}
     json_output)
-endif()
+endif()

cmake/FindELPA.cmake

@@ -9,11 +9,27 @@
 
 find_package(PkgConfig)
 
+# Compatible layer towards old manual routines
+if(DEFINED ELPA_INCLUDE_DIR)
+  set(ELPA_INCLUDE_DIRS ${ELPA_INCLUDE_DIR})
+endif()
+if(DEFINED ELPA_LIBRARIES)
+  set(ELPA_LINK_LIBRARIES ${ELPA_LIBRARIES})
+endif()
+
 find_path(ELPA_INCLUDE_DIRS
     elpa/elpa.h
     HINTS ${ELPA_DIR}
     PATH_SUFFIXES "include" "include/elpa"
     )
+# Fix #3589
+# First if judges if ELPA dir specified
+if(ELPA_INCLUDE_DIRS MATCHES "^/usr/include/elpa/.*")
+  # Second if judges if global visible ELPA header found
+  if(DEFINED ELPA_DIR OR CMAKE_PREFIX_PATH MATCHES ".*elpa.*")
+    unset(ELPA_INCLUDE_DIRS)
+  endif()
+endif()
 if(USE_OPENMP)
     find_library(ELPA_LINK_LIBRARIES
     NAMES elpa_openmp elpa
@@ -28,6 +44,9 @@ else()
     )
 endif()
 
+# Incompatible with ELPA earlier than 2021.11.001
+# Before ELPA 2021.11.001, its pkg-config file 
+# is named like "elpa-2021.05.002.pc".
 if(NOT ELPA_INCLUDE_DIRS AND PKG_CONFIG_FOUND)
   if(DEFINED ELPA_DIR)
     string(APPEND CMAKE_PREFIX_PATH ";${ELPA_DIR}")

cmake/FindLibxc.cmake

@@ -3,21 +3,24 @@ include(FindPackageHandleStandardArgs)
 if(DEFINED Libxc_DIR)
   string(APPEND CMAKE_PREFIX_PATH ";${Libxc_DIR}")
 endif()
-# Using CMake interface as default.
+# Using pkg-config interface as default, to
+# avoid linking to wrong global visible Libxc instead of
+# specified one.
 # NO REQUIRED here, otherwhile it would throw error
 # with no LibXC found.
-find_package(Libxc HINTS
+find_package(PkgConfig)
+if(PKG_CONFIG_FOUND)
+  pkg_search_module(Libxc IMPORTED_TARGET GLOBAL libxc)
+  find_package_handle_standard_args(Libxc DEFAULT_MSG Libxc_LINK_LIBRARIES Libxc_INCLUDE_DIRS)
+endif()
+if(NOT Libxc_FOUND)
+  find_package(Libxc REQUIRED HINTS
     ${Libxc_DIR}/share/cmake/Libxc
     ${Libxc_DIR}/lib/cmake/Libxc
     ${Libxc_DIR}/lib64/cmake/Libxc
   )
-if(NOT TARGET Libxc::xc)
-  find_package(PkgConfig REQUIRED)
-  pkg_search_module(Libxc REQUIRED IMPORTED_TARGET GLOBAL libxc)
-  find_package_handle_standard_args(Libxc DEFAULT_MSG Libxc_LINK_LIBRARIES Libxc_INCLUDE_DIRS)
 endif()
 
-
 # Copy the results to the output variables and target.
 # if find_package() above works, Libxc::xc would be present and
 # below would be skipped.