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CMake: Decouple ELPA dependency from LCAO #7842

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CMake: Decouple ELPA dependency from LCAO #7842

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2 changes: 1 addition & 1 deletion .github/workflows/build_test_cmake.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -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: ""
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20 changes: 9 additions & 11 deletions CMakeLists.txt
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Expand Up @@ -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)
Expand Down Expand Up @@ -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)
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14 changes: 7 additions & 7 deletions cmake/CollectBuildInfoVars.cmake
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Expand Up @@ -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")
Expand Down Expand Up @@ -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)
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7 changes: 4 additions & 3 deletions source/CMakeLists.txt
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Expand Up @@ -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(
${ABACUS_BIN_NAME}
Expand All @@ -702,9 +706,6 @@ if(ENABLE_LCAO)
if(ENABLE_LIBRI)
target_link_libraries(${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()
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2 changes: 1 addition & 1 deletion source/source_hsolver/CMakeLists.txt
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Expand Up @@ -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()

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