Merge pull request #21 from molssi-seamm/dev

Better support for rerunning/restarting jobs
molssi-seamm · Apr 24, 2023 · aa44a41 · aa44a41
2 parents d8b92c9 + 70b8f5f
commit aa44a41
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diff --git a/HISTORY.rst b/HISTORY.rst
@@ -2,6 +2,9 @@
 History
 =======
 
+2023.4.24 -- Better support for rerunning/restarting jobs
+    * Remove 'iteration.out' if it already exists.
+
 2023.2.15 -- Starting to add loops over structures in the database
 
 * Reorganized the documentation and changed to the standard MolSSI theme.

diff --git a/loop_step/loop.py b/loop_step/loop.py
@@ -579,7 +579,9 @@ def run(self):
                 if self._file_handler is not None:
                     self._file_handler.close()
                     job.removeHandler(self._file_handler)
-                self._file_handler = logging.FileHandler(iter_dir / "iteration.out")
+                path = iter_dir / "iteration.out"
+                path.unlink(missing_ok=True)
+                self._file_handler = logging.FileHandler(path)
                 self._file_handler.setLevel(printing.NORMAL)
                 formatter = logging.Formatter(fmt="{message:s}", style="{")
                 self._file_handler.setFormatter(formatter)