From a8725da04f63a5ea0770c5514d93da12f83ef6ae Mon Sep 17 00:00:00 2001
From: MoseyQAQ <admin@aleeqaq.cc>
Date: Tue, 23 Dec 2025 18:41:38 +0800
Subject: [PATCH] refactor(NEP):  Update the name of `NEP` class, and modify
 the makefile

Recently, the NEP_CPU has relesaed a breaking change related to the `qNEP`, the original API has been changed:
1. reaname the `NEP3` to `NEP`
2. add the `ewald.cpp` and `neighbor.cpp`.
---
 source/source_esolver/esolver_nep.h     | 2 +-
 toolchain/scripts/stage4/install_nep.sh | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/source/source_esolver/esolver_nep.h b/source/source_esolver/esolver_nep.h
index 82432d2e45..dfec17a83c 100644
--- a/source/source_esolver/esolver_nep.h
+++ b/source/source_esolver/esolver_nep.h
@@ -90,7 +90,7 @@ class ESolver_NEP : public ESolver
      * @note These variables are only defined if the __NEP preprocessor macro is defined.
      */
 #ifdef __NEP
-    NEP3 nep; ///< NEP3 object for NEP calculations
+    NEP nep; ///< NEP object for NEP calculations
 #endif
 
     std::string nep_file;                ///< directory of NEP model file
diff --git a/toolchain/scripts/stage4/install_nep.sh b/toolchain/scripts/stage4/install_nep.sh
index 3a5ad8eb6f..a4b659abcb 100755
--- a/toolchain/scripts/stage4/install_nep.sh
+++ b/toolchain/scripts/stage4/install_nep.sh
@@ -63,7 +63,7 @@ CXXFLAGS = -O2 -fPIC -std=c++11
 INCLUDES = -I./src
 
 # Source files
-SRCS = ./src/nep.cpp
+SRCS = ./src/nep.cpp ./src/ewald.cpp ./src/neighbor.cpp
 
 # Object files
 OBJS = \$(SRCS:.cpp=.o)
@@ -91,7 +91,7 @@ install:
 	mkdir -p \$(PREFIX)/lib
 	mkdir -p \$(PREFIX)/include
 	cp \$(TARGET) \$(PREFIX)/lib/
-	cp src/nep.h \$(PREFIX)/include/
+	cp src/*.h \$(PREFIX)/include/
 EOF
 
         make > make.log 2>&1 || tail -n ${LOG_LINES} make.log