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nep框架重构 04.predict

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koko
2025-12-10 19:36:13 +08:00
parent 518264eb60
commit 2e35ad3f8f
1 changed files with 2 additions and 2 deletions
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4
src/workflow.py
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@@ -4,7 +4,7 @@ import shutil
import logging import logging
import subprocess import subprocess
import re 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.machine import MachineManager
from src.state import StateTracker # 新增 from src.state import StateTracker # 新增
from src.steps import MDStep, SelectStep, SCFStep, TrainStep from src.steps import MDStep, SelectStep, SCFStep, TrainStep
@@ -21,7 +21,7 @@ class Workflow:
self.template_dir = os.path.join(root_dir, "template") self.template_dir = os.path.join(root_dir, "template")
self.logger = logging.getLogger() self.logger = logging.getLogger()
self.notifier = Notifier()
# 初始化状态追踪 # 初始化状态追踪
os.makedirs(self.workspace, exist_ok=True) os.makedirs(self.workspace, exist_ok=True)
self.tracker = StateTracker(self.workspace) self.tracker = StateTracker(self.workspace)