Revise cmake/CollectBuildInfoVars.cmake

- Output crucial information as a build summary
- Make MPI implementation detection valid (at least for non-cross build)
- Use version of MPI standard one MPI implementation follows [RFC]

Author: Growl1234

cmake/CollectBuildInfoVars.cmake

@@ -66,52 +66,16 @@ set(ABACUS_MPI_IMPLEMENTATION "no")
 set(ABACUS_MPI_VERSION "no")
 set(ABACUS_CUDA_AWARE_MPI "no")
 if(ENABLE_MPI)
-    execute_process(COMMAND ${MPI_CXX_COMPILER} --version OUTPUT_VARIABLE MPI_VERSION_OUTPUT OUTPUT_STRIP_TRAILING_WHITESPACE ERROR_QUIET)
-    if(MPI_VERSION_OUTPUT MATCHES "Intel")
+    if("${MPI_CXX_LIBRARY_VERSION_STRING}" MATCHES "Intel")
         set(ABACUS_MPI_IMPLEMENTATION "Intel MPI")
-        string(REGEX MATCH "Intel\\(R\\) oneAPI DPC\\+\\+/C\\+\\+ Compiler ([0-9]+\\.[0-9]+\\.[0-9]+)" _ "${MPI_VERSION_OUTPUT}")
-        if(CMAKE_MATCH_1) 
-	        set(MPI_DETECTED_VERSION "${CMAKE_MATCH_1}")
-        else()
-            string(REGEX MATCH "icpc \\(ICC\\) ([0-9]+\\.[0-9]+\\.[0-9]+)" _ "${MPI_VERSION_OUTPUT}")
-            if(CMAKE_MATCH_1)
-	            set(MPI_DETECTED_VERSION "${CMAKE_MATCH_1}")
-            endif()
-        endif()
-    elseif(MPI_VERSION_OUTPUT MATCHES "Open MPI")
+    elseif("${MPI_CXX_LIBRARY_VERSION_STRING}" MATCHES "Open MPI")
         set(ABACUS_MPI_IMPLEMENTATION "OpenMPI")
-    elseif(MPI_VERSION_OUTPUT MATCHES "MPICH")
+    elseif("${MPI_CXX_LIBRARY_VERSION_STRING}" MATCHES "MPICH")
         set(ABACUS_MPI_IMPLEMENTATION "MPICH")
     else()
         set(ABACUS_MPI_IMPLEMENTATION "Unknown")
     endif()
-    # Fallback: try mpirun/mpiexec
-    if(NOT MPI_DETECTED_VERSION)
-        find_program(MPIRUN_EXECUTABLE mpirun)
-        if(MPIRUN_EXECUTABLE)
-            execute_process(COMMAND ${MPIRUN_EXECUTABLE} --version OUTPUT_VARIABLE MPIRUN_VERSION_OUTPUT OUTPUT_STRIP_TRAILING_WHITESPACE ERROR_QUIET)
-            if(MPIRUN_VERSION_OUTPUT MATCHES "Open MPI")
-                set(ABACUS_MPI_IMPLEMENTATION "OpenMPI")
-                string(REGEX MATCH "Open MPI ([0-9]+\\.[0-9]+\\.[0-9]+)" _ "${MPIRUN_VERSION_OUTPUT}")
-                if(CMAKE_MATCH_1)
-                    set(MPI_DETECTED_VERSION "${CMAKE_MATCH_1}")
-                endif()
-            elseif(MPIRUN_VERSION_OUTPUT MATCHES "MPICH")
-                set(ABACUS_MPI_IMPLEMENTATION "MPICH")
-                string(REGEX MATCH "MPICH Version: ([0-9]+\\.[0-9]+\\.[0-9]+)" _ "${MPIRUN_VERSION_OUTPUT}")
-                if(CMAKE_MATCH_1)
-                    set(MPI_DETECTED_VERSION "${CMAKE_MATCH_1}")
-                endif()
-            endif()
-        endif()
-    endif()
-    if(MPI_DETECTED_VERSION)
-        set(ABACUS_MPI_VERSION "yes (v${MPI_DETECTED_VERSION})")
-    elseif(MPI_VERSION)
-        set(ABACUS_MPI_VERSION "yes (v${MPI_VERSION})")
-    else()
-        set(ABACUS_MPI_VERSION "yes (version unknown)")
-    endif()
+    set(ABACUS_MPI_VERSION "(MPI standard: ${MPI_CXX_VERSION})")
     if(USE_CUDA)           
         # OpenMPI hint
         find_program(OMPI_INFO_EXECUTABLE ompi_info)
@@ -144,6 +108,12 @@ else()
     set(ABACUS_OPENMP_VERSION "no")
 endif()
 
+if(ENABLE_LCAO)
+    set(ABACUS_LCAO_ENABLED "True")
+else()
+    set(ABACUS_LCAO_ENABLED "False")
+endif()
+
 # Core Math Libraries
 if(ENABLE_LCAO AND ENABLE_ELPA)
     set(ABACUS_ELPA_VERSION "yes (version unknown)")
@@ -410,3 +380,31 @@ list(APPEND CMAKE_FIND_PACKAGES_LIST "  LibRI Found=${LIBRI_FOUND}")
 foreach(package_line ${CMAKE_FIND_PACKAGES_LIST})
     set(ABACUS_CMAKE_FIND_PACKAGES "${ABACUS_CMAKE_FIND_PACKAGES}${package_line}")
 endforeach()
+
+# ==============================================================================
+# Print Build Summary
+# ==============================================================================
+message(STATUS "===================================================================")
+message(STATUS "                      ABACUS Build Summary                         ")
+message(STATUS "===================================================================")
+message(STATUS "Build Type        : ${ABACUS_BUILD_TYPE}")
+message(STATUS "Platform          : ${ABACUS_PLATFORM_NAME}")
+message(STATUS "Compiler          : ${ABACUS_CXX_COMPILER_ID} ${ABACUS_CXX_COMPILER_VERSION}")
+message(STATUS "-------------------------------------------------------------------")
+message(STATUS "MPI Support       : ${ABACUS_MPI_IMPLEMENTATION} ${ABACUS_MPI_VERSION}")
+message(STATUS "CUDA-Aware MPI    : ${ABACUS_CUDA_AWARE_MPI}")
+message(STATUS "OpenMP Support    : ${ABACUS_OPENMP_VERSION}")
+message(STATUS "-------------------------------------------------------------------")
+message(STATUS "LCAO Enabled      : ${ABACUS_LCAO_ENABLED}")
+message(STATUS "-------------------------------------------------------------------")
+message(STATUS "Math Libraries    : MKL    = ${ABACUS_MKL_SUPPORT}")
+message(STATUS "                    FFTW   = ${ABACUS_FFTW_VERSION}")
+message(STATUS "                    ELPA   = ${ABACUS_ELPA_VERSION}")
+message(STATUS "Accelerators      : CUDA   = ${ABACUS_CUDA_VERSION}")
+message(STATUS "                    ROCm   = ${ABACUS_ROCM_VERSION}")
+message(STATUS "Machine Learning  : Torch  = ${ABACUS_LIBTORCH_VERSION}")
+message(STATUS "                    DeePMD = ${ABACUS_DEEPMD_VERSION}")
+message(STATUS "                    NEP    = ${ABACUS_NEP_VERSION}")
+message(STATUS "Features          : Libxc  = ${ABACUS_LIBXC_VERSION}")
+message(STATUS "                    LibRI  = ${ABACUS_LIBRI_VERSION}")
+message(STATUS "===================================================================")