CMake: Revise ABACUS executable naming logic (deepmodeling#7792)

* CMake: Revise ABACUS executable naming logic

* Refactor device selection logic and deprecate USE_ROCM

Updated CMakeLists.txt to clarify device selection and mark USE_ROCM as deprecated.

* Update CMakeLists.txt

* Drop duplication

---------

Co-authored-by: Levi Zhou <31941107+ZhouXY-PKU@users.noreply.github.com>

Author: Growl1234

CMakeLists.txt

@@ -184,71 +184,52 @@ if(COMMIT_INFO)
   endif()
 endif()
 
-# Different exe files of ABACUS
-unset(ABACUS_BIN_NAME CACHE)
+# Determine the ABACUS executable name.
+if(NOT ENABLE_LCAO)
+  set(_abacus_bin_level "pw")
+# TODO: Not well-defined now.
+elseif(ENABLE_LIBRI AND ENABLE_MLALGO)
+  set(_abacus_bin_level "max")
+elseif(ENABLE_LIBRI)
+  set(_abacus_bin_level "std")
+# TODO: Not well-defined now.
+elseif(ENABLE_MLALGO)
+  set(_abacus_bin_level "ml")
+else()
+  set(_abacus_bin_level "basic")
+endif()
 
-# Case : LCAO or PW
-if(ENABLE_LCAO)
-  # Case: CUDA is enabled (suffix with 'g' for GPU)
-  if(USE_CUDA)
-    if(ENABLE_MPI)
-      if(NOT ENABLE_LIBRI AND NOT ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_basic_gpu)
-      elseif(ENABLE_LIBRI AND NOT ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_std_gpu)
-      elseif(NOT ENABLE_LIBRI AND ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_ml_gpu)
-      elseif(ENABLE_LIBRI AND ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_max_gpu)
-      endif()
-    endif()
-  # Case: CPU is enabled (suffix with 'p' for parallel) 
-  else()
-    if(ENABLE_MPI)
-      if(NOT ENABLE_LIBRI AND NOT ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_basic_para)
-      elseif(ENABLE_LIBRI AND NOT ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_std_para)
-      elseif(NOT ENABLE_LIBRI AND ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_ml_para)
-      elseif(ENABLE_LIBRI AND ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_max_para)
-      endif()
-    else()
-      if(NOT ENABLE_LIBRI AND NOT ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_basic_ser)
-      elseif(ENABLE_LIBRI AND NOT ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_std_ser)
-      elseif(NOT ENABLE_LIBRI AND ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_ml_ser)
-      elseif(ENABLE_LIBRI AND ENABLE_MLALGO)
-        set(ABACUS_BIN_NAME abacus_max_ser)
-      endif()
-    endif()
-  endif()
-# Case : PW only
+if(ENABLE_MPI)
+  set(_abacus_bin_para "para")
+elseif(ENABLE_OPENMP)
+  set(_abacus_bin_para "omp")
 else()
-  if(USE_CUDA)
-    if(ENABLE_MPI)
-      set(ABACUS_BIN_NAME abacus_pw_gpu)
-    endif()
-  else()
-    if(ENABLE_MPI)
-      set(ABACUS_BIN_NAME abacus_pw_para)
-    else()
-      set(ABACUS_BIN_NAME abacus_pw_ser)
-    endif()
-  endif()
+  set(_abacus_bin_para "ser")
+endif()
+
+if(USE_CUDA OR USE_ROCM)
+  set(_abacus_bin_device "gpu")
+elseif(USE_CUDA_ON_DCU)
+  set(_abacus_bin_device "dcu")
+elseif(USE_DSP)
+  set(_abacus_bin_device "dsp")
+elseif(USE_SW)
+  set(_abacus_bin_device "sw")
 endif()
 
+# if(USE_KML)
+#  set(_abacus_bin_device "kp")
+# endif()
+
+if(_abacus_bin_device)
+  set(ABACUS_BIN_NAME "abacus_${_abacus_bin_level}_${_abacus_bin_device}")
+else()
+  set(ABACUS_BIN_NAME "abacus_${_abacus_bin_level}_${_abacus_bin_para}")
+endif()
 
 # Use DSP hardware
-if (USE_DSP)
-  if(ENABLE_ELPA)
-    message(WARNING USE_DSP is incompatible with ELPA; switching off ENABLE_ELPA)
-    set(ENABLE_ELPA OFF)
-  endif()
-  set(ABACUS_BIN_NAME abacus_dsp)
+if(USE_DSP AND ENABLE_ELPA)
+  message(FATAL_ERROR "USE_DSP is incompatible with ELPA.")
 endif()
 
 list(APPEND CMAKE_MODULE_PATH
@@ -499,6 +480,9 @@ endif()
 # version. Use cmake with AMD-ROCm:
 # https://rocmdocs.amd.com/en/latest/Installation_Guide/Using-CMake-with-AMD-ROCm.html
 if(USE_ROCM)
+  message(
+    DEPRECATION
+    "Option USE_ROCM is deprecated and will be ignored in a future release. ")
   cmake_minimum_required(VERSION 3.18)
   if(NOT DEFINED ROCM_PATH)
     set(ROCM_PATH