ion-CSP 2.1.5__py3-none-any.whl → 2.1.9__py3-none-any.whl

ion_CSP/vasp_processing.py

@@ -4,6 +4,7 @@ import json
 import yaml
 import shutil
 import logging
+import importlib.resources
 from ase.io import ParseError
 from ase.io.vasp import read_vasp_out
 from dpdispatcher import Machine, Resources, Task, Submission
@@ -13,12 +14,18 @@ from ion_CSP.identify_molecules import identify_molecules, molecules_information
 
 class VaspProcessing:
     def __init__(self, work_dir: str):
+        """
+        This directory is used to store all the files related to VASP optimizations.
+
+        :params
+            work_dir: The working directory where VASP optimization files will be stored.
+        """
         redirect_dpdisp_logging(os.path.join(work_dir, "dpdispatcher.log"))
         self.base_dir = work_dir
         os.chdir(self.base_dir)
         self.for_vasp_opt_dir = f"{work_dir}/3_for_vasp_opt"
         self.vasp_optimized_dir = f"{work_dir}/4_vasp_optimized"
-        self.param_dir = os.path.join(os.path.dirname(__file__), "../../param")
+        self.param_dir = importlib.resources.files("ion_CSP.param")
 
     def dpdisp_vasp_optimization_tasks(
         self,
@@ -28,6 +35,10 @@ class VaspProcessing:
     ):
         """
         Based on the dpdispatcher module, prepare and submit files for optimization on remote server or local machine.
+        :params
+            machine: The machine configuration file, which can be in JSON or YAML format.
+            resources: The resources configuration file, which can be in JSON or YAML format.
+            nodes: The number of nodes to distribute the optimization tasks across.
         """
         # 调整工作目录，减少错误发生
         os.chdir(self.for_vasp_opt_dir)
@@ -79,7 +90,7 @@ class VaspProcessing:
             task_dir = os.path.join(self.for_vasp_opt_dir, f"{parent}pop{pop}")
             os.makedirs(task_dir, exist_ok=True)
             for file in forward_files:
-                shutil.copyfile(f"{self.param_dir}/{file}", f"{task_dir}/{file}")
+                shutil.copyfile(self.param_dir.joinpath(file), f"{task_dir}/{file}")
             for job_i in node_jobs[pop]:
                 # 将分配好的POSCAR文件添加到对应的上传文件中
                 forward_files.append(mlp_contcar_files[job_i])
@@ -146,7 +157,11 @@ class VaspProcessing:
         nodes: int = 1,
     ):
         """
-        Based on the dpdispatcher module, prepare and submit files for optimization on remote server or local machine.
+        Based on the dpdispatcher module, prepare and submit files for VASP relaxation on remote server or local machine.
+        :params
+            machine: The machine configuration file, which can be in JSON or YAML format.
+            resources: The resources configuration file, which can be in JSON or YAML format.
+            nodes: The number of nodes to distribute the optimization tasks across.
         """
         # 调整工作目录，减少错误发生
         os.chdir(self.vasp_optimized_dir)
@@ -199,19 +214,20 @@ class VaspProcessing:
             task_dir = os.path.join(self.vasp_optimized_dir, f"{parent}pop{pop}")
             os.makedirs(task_dir, exist_ok=True)
             for file in forward_files:
-                shutil.copyfile(f"{self.param_dir}/{file}", f"{task_dir}/{file}")
+                shutil.copyfile(self.param_dir.joinpath(file), f"{task_dir}/{file}")
             for job_i in node_jobs[pop]:
                 # 将分配好的POSCAR文件添加到对应的上传文件中
                 vasp_dir = vasp_optimized_folders[job_i]
                 fine_optimized_file = f"{vasp_dir}/fine/CONTCAR"
-                forward_files.append(fine_optimized_file)
-                os.makedirs(
-                    os.path.dirname(f"{task_dir}/{fine_optimized_file}"), exist_ok=True
-                )
-                shutil.copyfile(
-                    f"{self.vasp_optimized_dir}/{fine_optimized_file}",
-                    f"{task_dir}/{fine_optimized_file}",
-                )
+                if os.path.exists(fine_optimized_file):
+                    forward_files.append(fine_optimized_file)
+                    os.makedirs(
+                        os.path.dirname(f"{task_dir}/{fine_optimized_file}"), exist_ok=True
+                    )
+                    shutil.copyfile(
+                        f"{self.vasp_optimized_dir}/{fine_optimized_file}",
+                        f"{task_dir}/{fine_optimized_file}",
+                    )
                 # 每个POSCAR文件在优化后都取回对应的CONTCAR和OUTCAR输出文件
                 backward_files.append(f"{vasp_dir}/*")
                 backward_files.append(f"{vasp_dir}/fine/*")
@@ -311,7 +327,7 @@ class VaspProcessing:
             task_dir = os.path.join(self.for_vasp_opt_dir, f"{parent}pop{pop}")
             os.makedirs(task_dir, exist_ok=True)
             for file in forward_files:
-                shutil.copyfile(f"{self.param_dir}/{file}", f"{task_dir}/{file}")
+                shutil.copyfile(self.param_dir.joinpath(file), f"{task_dir}/{file}")
             for job_i in node_jobs[pop]:
                 # 将分配好的POSCAR文件添加到对应的上传文件中
                 forward_files.append(mlp_contcar_files[job_i])
@@ -622,6 +638,11 @@ class VaspProcessing:
             with open(csv_file_path, "r") as csvfile:
                 reader = csv.reader(csvfile)
                 # 跳过表头读取第一行结构序号，即符合结构筛选要求的最大密度结构
+                header = next(reader)
+                if header[0] != "Number":
+                    raise KeyError(
+                        "The first column of the CSV file is not 'Number', please check the file format."
+                    )
                 first_row = next(reader)
                 structure_number = str(first_row[0])
             # 根据结构序号构建要查找的文件夹路径
@@ -632,24 +653,27 @@ class VaspProcessing:
                     structure_number
                 ):
                     # 查找 CONTCAR 文件
-                    final_contcar_path = os.path.join(
-                        vasp_folder_path, "fine", "final", "CONTCAR"
-                    )
+                    # final_contcar_path = os.path.join(
+                    #     vasp_folder_path, "fine", "final", "CONTCAR"
+                    # )
+                    # print(f"Trying to get the final structure from {vasp_folder_path}")
+                    # logging.info(
+                    #     f"Trying to get the final structure from {vasp_folder_path}"
+                    # )
+                    # if os.path.exists(final_contcar_path):
+                    #     # 复制 CONTCAR 文件到 combo_n 文件夹并重命名为 POSCAR
+                    #     shutil.copy(
+                    #         final_contcar_path, os.path.join(self.base_dir, "POSCAR")
+                    #     )
+                    #     print(f"Renamed CONTCAR to POSCAR in {self.base_dir}, copied from {final_contcar_path}")
+                    #     logging.info(
+                    #         f"Renamed CONTCAR to POSCAR in {self.base_dir}, copied from {final_contcar_path}"
+                    #     )
                     fine_contcar_path = os.path.join(
                         vasp_folder_path, "fine", "CONTCAR"
                     )
-                    logging.info(
-                        f"Trying to get the final structure from {vasp_folder_path}"
-                    )
-                    if os.path.exists(final_contcar_path):
-                        # 复制 CONTCAR 文件到 combo_n 文件夹并重命名为 POSCAR
-                        shutil.copy(
-                            final_contcar_path, os.path.join(self.base_dir, "POSCAR")
-                        )
-                        logging.info(
-                            f"Renamed CONTCAR to POSCAR in {self.base_dir}, copied from {final_contcar_path}"
-                        )
-                    elif os.path.exists(fine_contcar_path):
+                    if os.path.exists(fine_contcar_path):
+                        print(f"CONTCAR not found in {os.path.join(vasp_folder_path, 'fine', 'final')}")
                         logging.info(
                             f"CONTCAR not found in {os.path.join(vasp_folder_path, 'fine', 'final')}"
                         )
@@ -657,10 +681,15 @@ class VaspProcessing:
                         shutil.copy(
                             fine_contcar_path, os.path.join(self.base_dir, "POSCAR")
                         )
+                        print(f"Renamed CONTCAR to POSCAR in {self.base_dir}, copied from {fine_contcar_path}")
                         logging.info(
                             f"Renamed CONTCAR to POSCAR in {self.base_dir}, copied from {fine_contcar_path}"
                         )
                     else:
                         print(f"Eligible CONTCAR not found in {vasp_folder_path}")
+                        logging.info(
+                            f"Eligible CONTCAR not found in {vasp_folder_path}"
+                        )
         else:
+            print(f"CSV file not found in {self.base_dir}")
             logging.info(f"CSV file not found in {self.base_dir}")

{ion_csp-2.1.5.dist-info → ion_csp-2.1.9.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: ion_CSP
-Version: 2.1.5
+Version: 2.1.9
 Summary: Crystal Structure Design Software Based on Molecular/Ionic Configuration.
 Home-page: https://github.com/bagabaga007/ion_CSP
 Author: Ze Yang
@@ -28,13 +28,16 @@ Dynamic: home-page
 Dynamic: license-file
 Dynamic: requires-python
 
-# Crystal Structure Design Software V2.1
+# 基于分子/离子构型的晶体结构设计软件 V2.1
 
 ## 项目概述
+
 基于分子/离子构型的晶体结构设计软件通过结合经验公式、机器学习势函数微调、第一性原理分步优化和分子/离子识别技术，实现了从分子/离子构型出发的高效晶体结构设计。该软件采用模块化设计，支持全流程自动化材料筛选，在保证预测精度的同时显著提升计算效率。
 
 ## 功能特性
+
 ### 核心功能
+
 - **双模块工作流**  
   - **EE模块**：基于经验评估的离子组合生成  
   - **CSP模块**：基于离子晶体结构预测的优化筛选  
@@ -48,13 +51,16 @@ Dynamic: requires-python
   - 软链接解析显示实际路径
 
 ### 技术特性
+
 - 跨平台支持（Linux/Docker）
 - 基于Python 3.11+的面向对象架构
 - 集成psutil进程管理
 - 结构化日志记录系统
 
 ## 安装指南
+
 ### 环境要求
+
 | 组件        | 最低版本 |
 |-------------|----------|
 | Python      | 3.11     |
@@ -71,10 +77,13 @@ Dynamic: requires-python
 | rdkit       | 2024.03.3|
 
 ### 安装步骤
+
 ```bash
 pip install ion-csp
 ```
+
 或
+
 ```bash
 # 创建虚拟环境
 python -m venv venv
@@ -87,29 +96,39 @@ pip install -e .
 ```
 
 ## 快速入门
+
 ### 交互模式
+
 ```bash
 ion-csp
 ```
+
 启动交互式命令行界面，支持以下操作：
+
 - 模块选择
 - 日志查看
 - 进程管理
 
 ### 脚本调用
+
 #### EE模块示例
+
 ```bash
 ./scripts/main_EE.sh examples/example_1
 ```
+
 从SMILES表格生成离子组合
 
 #### CSP模块示例
+
 ```bash
 ./scripts/main_CSP.sh examples/example_2
 ```
+
 从离子组合生成并优化晶体结构
 
 ## 技术架构
+
 ```mermaid
 graph TD
     A[用户界面] --> B[任务管理器]
@@ -118,34 +137,32 @@ graph TD
     B --> E[日志系统]
     B --> F[任务调度]
     C --> G[经验评估引擎]
-    D --> H[晶体预测引擎]
+    D --> H[离子晶体结构预测引擎]
     E --> I[结构化日志]
     F --> J[进程终止]
 ```
 
 ## 贡献指南
+
 1. Fork仓库并创建特性分支
 2. 编写单元测试覆盖新功能
 3. 提交Pull Request时注明关联Issue
 4. 遵循PEP8代码规范
 
 ## 许可证
-本项目采用MIT许可证，详见LICENSE文件。
 
-## 技术支持
-- **文档更新**：2025年6月
-- **最新版本**：v2.1.5
-- **问题追踪**：https://github.com/bagabaga007/ion_CSP/issues
+本项目采用MIT许可证，详见LICENSE文件。
 
 ---
 
-# Crystal Structure Design Software V2.1
-
 ## Project Overview
+
 This software enables efficient crystal structure design from molecular/ion configurations by integrating empirical formulas, tuned machine learning potentials, stepwise first-principles optimization, and molecular/ion recognition techniques. The modular architecture ensures extensibility and maintainability while maintaining prediction accuracy.
 
 ## Key Features
+
 ### Core Functionalities
+
 - **Dual-Module Workflow**
   - **EE Module**: Empirical evaluation-based ion combination generation
   - **CSP Module**: Ion crystal structure prediction and optimization
@@ -159,13 +176,16 @@ This software enables efficient crystal structure design from molecular/ion conf
   - Symlink resolution for actual log paths
 
 ### Technical Specifications
+
 - Cross-platform support (Linux/Docker)
 - Object-oriented architecture with Python 3.11+
 - Integrated process management via psutil
 - Structured logging system
 
 ## Installation
+
 ### Prerequisites
+
 | Component   | Min Version |
 |-------------|-------------|
 | Python      | 3.11     |
@@ -182,6 +202,7 @@ This software enables efficient crystal structure design from molecular/ion conf
 | rdkit       | 2024.03.3|
 
 ### Installation Steps
+
 ```bash
 # Create virtual environment
 python -m venv venv
@@ -194,29 +215,39 @@ pip install -e .
 ```
 
 ## Quick Start
+
 ### Interactive Mode
+
 ```bash
 ion-csp
 ```
+
 Launches CLI interface with:
+
 - Module selection
 - Log management
 - Process control
 
 ### Script Execution
+
 #### EE Module Example
+
 ```bash
 ./scripts/main_EE.sh examples/example_1
 ```
+
 Generates ion combinations from SMILES tables
 
 #### CSP Module Example
+
 ```bash
 ./scripts/main_CSP.sh examples/example_2
 ```
+
 Optimizes crystal structures from ion combinations
 
 ## Technical Architecture
+
 ```mermaid
 graph TD
     A[User Interface] --> B[Task Manager]
@@ -225,21 +256,18 @@ graph TD
     B --> E[Log System]
     B --> F[Task Scheduler]
     C --> G[Empirical Evaluation Engine]
-    D --> H[Crystal Prediction Engine]
+    D --> H[Ionic Crystal Structure Prediction Engine]
     E --> I[Structured Logs]
     F --> J[Process Termination]
 ```
 
 ## Contribution Guide
+
 1. Fork repository and create feature branch
 2. Write unit tests for new features
 3. Submit PR with issue reference
 4. Follow PEP8 coding standards
 
 ## License
-MIT License, see LICENSE file.
 
-## Support
-- Documentation last updated: June 2025
-- Latest version: v2.1.5
-- Issue tracker: https://github.com/bagabaga007/ion_CSP/issues
+MIT License, see LICENSE file.

ion_csp-2.1.9.dist-info/RECORD

@@ -0,0 +1,43 @@
+ion_CSP/__init__.py,sha256=3in4RkuAl_VL3kDHDz_CHQn3zEBtH1Z-H8aFniQbQI8,356
+ion_CSP/__main__.py,sha256=XlNCx5eMSrL7yld9ddSYXhjXvg2ZYGD_uk9LdqNabvs,74
+ion_CSP/convert_SMILES.py,sha256=HAexqf6HXZAqRuMww5BKmU68MIO3d7XIaUtPKv_QwMs,15595
+ion_CSP/empirical_estimate.py,sha256=oqZ-yPbcFCgc0MkOu2PU7JWRNm3fXHm6YRq-bozCZoo,37776
+ion_CSP/gen_opt.py,sha256=F_gEopuOO-b-tHfS0V4OMeThktY2QvPGWCVRXOCemfk,21605
+ion_CSP/identify_molecules.py,sha256=GxDWq815Bk_Fq_SR8fe-dbrbEi1YgATVa7UINw3hAu4,5535
+ion_CSP/log_and_time.py,sha256=Db53LAM2KH_ty6M9_5FF8xDGiULgExh7pcKOvFtS7DQ,11697
+ion_CSP/mlp_opt.py,sha256=uJaqjNYLzc4dRogNcGIP_Ukta_fMd5YdYVf9cNweOA4,7029
+ion_CSP/read_mlp_density.py,sha256=KwVgniroT46uFQ7_HROd5Fk9YxJCMip1jnufWvHHEiw,12104
+ion_CSP/steps_opt_monitor.sh,sha256=1klPjnK0gqkDbvI9PtjdK5qidJ5G0Mo8q1SfrlLW5xM,3330
+ion_CSP/task_manager.py,sha256=JglPNDKpsv-bjbCm42D4k6GegDkSylX4oDWAdFa-oSU,16569
+ion_CSP/upload_download.py,sha256=HXxVQMUydEoHe2vV89wR7De4Ut1lEte6pmp8Q82decI,23800
+ion_CSP/vasp_processing.py,sha256=YhZxEg03n2lwDtoYzpXdUn329QzfOvp4XXm-qTIIIMA,33337
+ion_CSP/model/model.pt,sha256=5D9HTP5b7jUOv3kHltT71ORzhgt5p96awjbqC4oZVjQ,24649402
+ion_CSP/model/options/README.md,sha256=ifoeNXF2CfwqUjt3Xmh5qUl-e4hfP4eMV4EkqV7GU30,182
+ion_CSP/model/options/model.ckpt-4000000.pt,sha256=5D9HTP5b7jUOv3kHltT71ORzhgt5p96awjbqC4oZVjQ,24649402
+ion_CSP/param/INCAR_0,sha256=qh0cOez9-Lv0wVyf6bCrQ92kWiioOsx-tXthcx2GXtE,295
+ion_CSP/param/INCAR_1,sha256=GhWmKUcG01XYISIBOoPRSEEtTgbLeZd7-VeZE5WvXnY,351
+ion_CSP/param/INCAR_2,sha256=951-1SxWO3pZjXmTWcOeDAnaSpUuepyn2FzOXegwRIU,319
+ion_CSP/param/INCAR_3,sha256=zX6W-oX2xTYc8OEkbfzJiyapI2-uBrMpAJcyyypRJ1E,319
+ion_CSP/param/POTCAR_C,sha256=BygEoI0xTgy87Xvqko948Rfj5Nw-qAkwhfd5CvJQ5yA,209530
+ion_CSP/param/POTCAR_H,sha256=ypnE6_RSPVdygq79elXWiZ7gIj6rGVP2VeRXbzY6c74,142686
+ion_CSP/param/POTCAR_N,sha256=n9-vHqk9sJ6A3C3e1yTw9r9SZKDJc1mArgcfdJ0APA4,213434
+ion_CSP/param/POTCAR_O,sha256=S5LYsbk2ZWoDj6hLxRucM48wNHgf7BQcCylgwGdL4hA,222698
+ion_CSP/param/g16_sub.sh,sha256=WOxXhBiPjpZ8eJwdLdLtCfVsWPWh0USxrBbX9u3cunk,519
+ion_CSP/param/sub_final.sh,sha256=jQSEgNThM8UJT4Vd6AzBFeccn-xoqG-fpSTiXmwzZhM,3222
+ion_CSP/param/sub_ori.sh,sha256=JBERlc-VOVCNaKGwiJR8oq7Nyf0KV4JpHEVT5sE5s8E,2497
+ion_CSP/param/sub_supple.sh,sha256=23cam7WyW7-80J8O-Bs45qYkabk3mxZDgiHZvf48KBM,1887
+ion_CSP/run/__init__.py,sha256=_9EAXp4cv41ARbxahCkihwqY4F00Y18tBeTauWeD9mw,186
+ion_CSP/run/main_CSP.py,sha256=UaYHlh7BSxar4uGppPi-V0cFDpB14212Oy6gta59LfA,5898
+ion_CSP/run/main_EE.py,sha256=8TFlJx7QhJKGc4qZ2O0ESRYrlySp3r1WjeGLkUBeL5k,6217
+ion_CSP/run/run_convert_SMILES.py,sha256=85a8-UXPxPo3Yw_iYED_QF47yNTvYRnJHm3PC1d-d_Q,2056
+ion_CSP/run/run_empirical_estimate.py,sha256=U_yvQ5gMiBkDEabHXLJSAEm0EzGHhSKs6xmWoEC_gjc,2831
+ion_CSP/run/run_gen_opt.py,sha256=_Zcsu0FkuZTfiGKSWNaK17LiyQ3qrP30F66UN5QemCo,2727
+ion_CSP/run/run_read_mlp_density.py,sha256=aSJjWS1jH-D7qzx7RnpMPSTH7KEZp2b35dg1b2OQSCM,1864
+ion_CSP/run/run_upload_download.py,sha256=wuTAdy4bgdduD7TJtgHwo_fTpHKlkAwmgRknClDLYDo,2436
+ion_CSP/run/run_vasp_processing.py,sha256=hziE4cZwmIWvVaZtwHn9Dl35apYSLlMvSVIbCyd5mFg,1612
+ion_csp-2.1.9.dist-info/licenses/LICENSE,sha256=yeL9PshY_rGAt3GKqn8U7NafHifpmZipb-Owu0DDrHo,1070
+ion_csp-2.1.9.dist-info/METADATA,sha256=OM9yIEVI-_77HaYxgA4qIfed2BRTs34mNgJbfLHYyFg,6314
+ion_csp-2.1.9.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+ion_csp-2.1.9.dist-info/entry_points.txt,sha256=NexQJDs9f69kJA2DgoU6tsA3V8a66nadJRem1U_c_6g,54
+ion_csp-2.1.9.dist-info/top_level.txt,sha256=aYZa43dDebjLpWPN6bDIlBb6BVwA8gk4ajEjDDK9b9I,8
+ion_csp-2.1.9.dist-info/RECORD,,

{ion_csp-2.1.5.dist-info → ion_csp-2.1.9.dist-info}/licenses/LICENSE

@@ -1,4 +1,4 @@
-MIT License
+# MIT License
 
 Copyright (c) [2025] [ion_CSP]
 

{ion_csp-2.1.5.dist-info → ion_csp-2.1.9.dist-info}/top_level.txt

@@ -1,2 +1 @@
 ion_CSP
-run

ion_csp-2.1.5.dist-info/RECORD

@@ -1,44 +0,0 @@
-ion_CSP/__init__.py,sha256=L5DyCHC4xoiu_KnOW1rVheNbNVooNtuyr75m1z6YbkU,374
-ion_CSP/__main__.py,sha256=XlNCx5eMSrL7yld9ddSYXhjXvg2ZYGD_uk9LdqNabvs,74
-ion_CSP/convert_SMILES.py,sha256=4fndMcuIEypYtkXWBoS7W7uEXkZXVLeMDshdXEIk5kY,13864
-ion_CSP/empirical_estimate.py,sha256=_U5VRWSIAiJGcxnP3mnCHn8zKzviFEQhQwN7TjPTnCU,29089
-ion_CSP/gen_opt.py,sha256=e_B0OIRb7nnrNGKuM8PttuRdwOkOH1YtZwBkP7GIZv8,19660
-ion_CSP/identify_molecules.py,sha256=hFKXS0Jjd7LyMsYGc9RmnoRPu1ibXF9fYO_9lR3wTfo,4634
-ion_CSP/log_and_time.py,sha256=-RCycW1VB7sa3bjQZiF7c8i73iam8S41qgJxlHRqJaw,9406
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-ion_CSP/read_mlp_density.py,sha256=3N7kgM2RCe1gbP8QxpgtwYRaj77w4niNglWA5VDoQsk,11209
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run/update_changelog.py

@@ -1,68 +0,0 @@
-import subprocess
-
-
-def get_commit_details():
-    # 获取提交信息，包括哈希、日期和消息
-    result = subprocess.run(
-        ["git", "log", "--pretty=format:%h %ad %s", "--date=short"],
-        capture_output=True,
-        text=True,
-    )
-    return result.stdout.splitlines()
-
-
-def get_commit_tags():
-    # 获取每个提交的标签信息
-    tags = {}
-    commits = get_commit_details()
-    for commit in commits:
-        hash_value = commit.split(" ")[0]
-        result = subprocess.run(
-            ["git", "tag", "--points-at", hash_value], capture_output=True, text=True
-        )
-        tag_list = result.stdout.strip().splitlines()
-        tags[hash_value] = tag_list
-    return tags
-
-
-def generate_changelog(commit_details, tags):
-    changelog_path = "CHANGELOG.md"
-
-    # 生成变更日志内容
-    new_changelog_content = []
-
-    # 添加标题
-    new_changelog_content.append("# Changelog\n\n")
-
-    # 添加每个提交的详细信息
-    for detail in commit_details:
-        hash_value, date, *message = detail.split(" ")
-        message = " ".join(message)  # 重新组合提交信息
-
-        # 检查是否有标签
-        if tags.get(hash_value):
-            # 添加标签信息
-            for tag in tags[hash_value]:
-                new_changelog_content.append(f"## {tag}\n")
-
-            # 添加提交信息
-            new_changelog_content.append(f"### {hash_value} ({date})\n")
-            new_changelog_content.append(f"{message}\n\n")
-        else:
-            # 如果没有标签，直接添加提交信息
-            new_changelog_content.append(f"### {hash_value} ({date})\n")
-            new_changelog_content.append(f"{message}\n\n")
-
-    # 写入 CHANGELOG.md
-    with open(changelog_path, "w") as file:
-        file.writelines(new_changelog_content)
-
-
-if __name__ == "__main__":
-    commit_details = get_commit_details()
-    tags = get_commit_tags()  # 获取每个提交的标签信息
-    if commit_details:
-        generate_changelog(commit_details, tags)
-        print("CHANGELOG.md has been updated.")
-    else:
-        print("No new commits found.")