From 38ba5f6b82cc4532385ef2eb2cce85523cabc71c Mon Sep 17 00:00:00 2001
From: SY Wang <uwsy1059@qq.com>
Date: Thu, 20 Aug 2026 20:40:57 +0800
Subject: [PATCH] CMake: Decouple ELPA dependency from LCAO

---
 .github/workflows/build_test_cmake.yml |  2 +-
 CMakeLists.txt                         | 20 +++++++++-----------
 cmake/CollectBuildInfoVars.cmake       | 14 +++++++-------
 source/CMakeLists.txt                  |  7 ++++---
 source/source_hsolver/CMakeLists.txt   |  2 +-
 5 files changed, 22 insertions(+), 23 deletions(-)

diff --git a/.github/workflows/build_test_cmake.yml b/.github/workflows/build_test_cmake.yml
index 1eaa2fd56a..44a943f0b8 100644
--- a/.github/workflows/build_test_cmake.yml
+++ b/.github/workflows/build_test_cmake.yml
@@ -41,7 +41,7 @@ jobs:
             name: "Build without LCAO"
           - tag: gnu
             external_toolchain_args: ""
-            build_args: "-DUSE_ELPA=OFF "
+            build_args: "-DENABLE_ELPA=OFF "
             name: "Build without ELPA"
           - tag: gnu
             external_toolchain_args: ""
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 05af8265e9..33b852f0cd 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -65,7 +65,7 @@ option(ENABLE_RAPIDJSON "Enable rapid-json usage" OFF)
 option(ENABLE_CNPY "Enable cnpy usage" OFF)
 
 # Options requiring MPI and LCAO
-cmake_dependent_option(ENABLE_ELPA "Enable ELPA for LCAO" ON "ENABLE_LCAO;ENABLE_MPI" OFF)
+cmake_dependent_option(ENABLE_ELPA "Enable ELPA eigensolver" ON "ENABLE_MPI" OFF)
 cmake_dependent_option(ENABLE_LIBRI "Enable LibRI for hybrid functional"
                        OFF "ENABLE_LCAO;ENABLE_MPI" OFF)
 cmake_dependent_option(ENABLE_PEXSI "Enable PEXSI for LCAO" OFF "ENABLE_LCAO;ENABLE_MPI" OFF)
@@ -304,17 +304,15 @@ if(CMAKE_CXX_COMPILER_ID MATCHES Intel)
   set(ENABLE_ABACUS_LIBM OFF)
 endif()
 
-if(ENABLE_LCAO)
-  if(ENABLE_ELPA)
-    find_package(ELPA REQUIRED)
-  endif()
-  if(ENABLE_PEXSI)
-    find_package(PEXSI REQUIRED CONFIG)
-    if(PEXSI_VERSION VERSION_LESS "2.0.0")
-      message(FATAL_ERROR "PEXSI >= 2.0.0 is required")
-    endif()
-    set(CMAKE_CXX_STANDARD 14)
+if(ENABLE_ELPA)
+  find_package(ELPA REQUIRED)
+endif()
+if(ENABLE_PEXSI)
+  find_package(PEXSI REQUIRED CONFIG)
+  if(PEXSI_VERSION VERSION_LESS "2.0.0")
+    message(FATAL_ERROR "PEXSI >= 2.0.0 is required")
   endif()
+  set(CMAKE_CXX_STANDARD 14)
 endif()
 
 if(ENABLE_MPI)
diff --git a/cmake/CollectBuildInfoVars.cmake b/cmake/CollectBuildInfoVars.cmake
index 028406bbe4..8fc2603c32 100644
--- a/cmake/CollectBuildInfoVars.cmake
+++ b/cmake/CollectBuildInfoVars.cmake
@@ -126,13 +126,6 @@ else()
   set(ABACUS_LCAO_ENABLED "False")
 endif()
 
-# Core Math Libraries
-if(ENABLE_LCAO AND ENABLE_ELPA)
-    set(ABACUS_ELPA_VERSION "yes (v${ELPA_VERSION})")
-else()
-    set(ABACUS_ELPA_VERSION "no")
-endif()
-
 # BLAS and FFTW libraries
 if(MKL_FOUND)
   set(ABACUS_BLAS_VENDOR "MKL")
@@ -179,6 +172,13 @@ else()
   endif()
 endif()
 
+# ELPA eigensolver
+if(ENABLE_ELPA)
+    set(ABACUS_ELPA_VERSION "yes (v${ELPA_VERSION})")
+else()
+    set(ABACUS_ELPA_VERSION "no")
+endif()
+
 if(ENABLE_LIBXC AND Libxc_VERSION)
     set(ABACUS_LIBXC_VERSION "yes (v${Libxc_VERSION})")
 elseif(ENABLE_LIBXC)
diff --git a/source/CMakeLists.txt b/source/CMakeLists.txt
index d5a2d5704e..bad5987651 100644
--- a/source/CMakeLists.txt
+++ b/source/CMakeLists.txt
@@ -687,6 +687,10 @@ target_link_libraries(
     device
     base)
 
+if(ENABLE_ELPA)
+  target_link_libraries(${ABACUS_BIN_NAME} PRIVATE genelpa)
+endif()
+
 if(ENABLE_LCAO)
   target_link_libraries(
     ${ABACUS_BIN_NAME}
@@ -702,9 +706,6 @@ if(ENABLE_LCAO)
   if(ENABLE_LIBRI)
     target_link_libraries(${ABACUS_BIN_NAME} PRIVATE bse)
   endif()
-  if(ENABLE_ELPA)
-    target_link_libraries(${ABACUS_BIN_NAME} PRIVATE genelpa)
-  endif()
   if(ENABLE_PEXSI)
     target_link_libraries(${ABACUS_BIN_NAME} PRIVATE pexsi)
   endif()
diff --git a/source/source_hsolver/CMakeLists.txt b/source/source_hsolver/CMakeLists.txt
index bf67c01f28..a9f1f9142e 100644
--- a/source/source_hsolver/CMakeLists.txt
+++ b/source/source_hsolver/CMakeLists.txt
@@ -80,7 +80,7 @@ if(ENABLE_COVERAGE)
   add_coverage(hsolver)
 endif()
 
-if(ENABLE_LCAO AND ENABLE_ELPA)
+if(ENABLE_ELPA)
   add_subdirectory(module_genelpa)
 endif()