nep框架重构 04.predict

src/workflow.py

@@ -4,7 +4,7 @@ import shutil
 import logging
 import subprocess
 import re
-from src.utils import load_yaml, run_cmd_with_log, parse_time_to_steps
+from src.utils import load_yaml, run_cmd_with_log, parse_time_to_steps,Notifier
 from src.machine import MachineManager
 from src.state import StateTracker  # 新增
 from src.steps import MDStep, SelectStep, SCFStep, TrainStep
@@ -21,7 +21,7 @@ class Workflow:
         self.template_dir = os.path.join(root_dir, "template")
 
         self.logger = logging.getLogger()
-
+        self.notifier = Notifier()
         # 初始化状态追踪
         os.makedirs(self.workspace, exist_ok=True)
         self.tracker = StateTracker(self.workspace)