fix issue with temp files

sparc/io.py

@@ -7,7 +7,9 @@
 ase.io.trajectory
 
 """
+import itertools
 import os
+import re
 from pathlib import Path
 from warnings import warn
 
@@ -336,7 +338,14 @@ def read_raw_results(self, include_all_files=False):
             self.raw_results (dict or List): the same as the return value
         """
         # Find the max output index
-        last_out = sorted(self.directory.glob(f"{self.label}.out*"), reverse=True)
+        out_files = self.directory.glob(f"{self.label}.out*")
+        valid_out_files = [
+            f
+            for f in out_files
+            if (re.fullmatch(r"^\.out(?:_\d+)?$", f.suffix) is not None)
+        ]
+        # Combine and sort the file lists
+        last_out = sorted(valid_out_files, reverse=True)
         # No output file, only ion / inpt
         if len(last_out) == 0:
             self.last_image = -1

tests/test_bundle_to_calc.py

@@ -1,4 +1,5 @@
 import os
+import re
 import tempfile
 from pathlib import Path
 
@@ -11,6 +12,20 @@
 test_output_dir = curdir / "outputs"
 
 
+def test_files_glob():
+    """Only match the re part"""
+    pattern = r"^\.out(?:_\d+)?$"
+    assert re.fullmatch(pattern, ".out")
+    assert re.fullmatch(pattern, ".out_0")
+    assert re.fullmatch(pattern, ".out_01")
+    assert re.fullmatch(pattern, ".out_009")
+    assert re.fullmatch(pattern, ".out_") is None
+    assert re.fullmatch(pattern, ".out_00_") is None
+    assert re.fullmatch(pattern, ".out#") is None
+    assert re.fullmatch(pattern, ".out~") is None
+    assert re.fullmatch(pattern, ".out_01~") is None
+
+
 def test_bundle_convert():
     from sparc.io import SparcBundle