kim-tools 0.3.10__tar.gz → 0.3.11__tar.gz

{kim_tools-0.3.10/kim_tools.egg-info → kim_tools-0.3.11}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: kim-tools
-Version: 0.3.10
+Version: 0.3.11
 Summary: Base classes and helper routines for writing KIM Tests
 Author-email: ilia Nikiforov <nikif002@umn.edu>, Ellad Tadmor <tadmor@umn.edu>, Claire Waters <bwaters@umn.edu>, "Daniel S. Karls" <karl0100umn@gmail.com>, Matt Bierbaum <matt.bierbaum@gmail.com>, Eric Fuemmeler <efuemmel@umn.edu>, Philipp Hoellmer <ph2484@nyu.edu>, Guanming Zhang <gz2241@nyu.edu>, Tom Egg <tje3676@nyu.edu>
 Maintainer-email: ilia Nikiforov <nikif002@umn.edu>

{kim_tools-0.3.10 → kim_tools-0.3.11}/kim_tools/__init__.py

@@ -1,4 +1,4 @@
-__version__ = "0.3.10"
+__version__ = "0.3.11"
 
 from .aflow_util import *
 from .aflow_util import __all__ as aflow_all

{kim_tools-0.3.10 → kim_tools-0.3.11}/kim_tools/aflow_util/core.py

@@ -1642,9 +1642,21 @@ class AFLOW:
         ]
 
         if match_library_proto:
-            library_prototype_label, short_name = (
-                self.get_library_prototype_label_and_shortname_from_atoms(atoms)
-            )
+            try:
+                library_prototype_label, short_name = (
+                    self.get_library_prototype_label_and_shortname_from_atoms(atoms)
+                )
+            except subprocess.CalledProcessError:
+                library_prototype_label = None
+                short_name = None
+                msg = (
+                    "WARNING: aflow --compare2prototypes returned error, skipping "
+                    "library matching"
+                )
+                print()
+                print(msg)
+                print()
+                logger.warning(msg)
 
         # NOTE: Because of below, this only works if the provided prototype label is
         # correctly alphabetized. Change this?

{kim_tools-0.3.10 → kim_tools-0.3.11}/kim_tools/test_driver/core.py

@@ -777,8 +777,9 @@ class KIMTestDriver(ABC):
         Args:
             filename: path to write the file
         """
-        kim_property_dump(self._get_serialized_property_instances(), filename)
         filename_parent = Path(filename).parent.resolve()
+        os.makedirs(filename_parent, exist_ok=True)
+        kim_property_dump(self._get_serialized_property_instances(), filename)
         if filename_parent != Path("output").resolve():
             for file_in_output in glob.glob("output/*"):
                 file_in_output_name = str(Path(file_in_output).name)

{kim_tools-0.3.10 → kim_tools-0.3.11/kim_tools.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: kim-tools
-Version: 0.3.10
+Version: 0.3.11
 Summary: Base classes and helper routines for writing KIM Tests
 Author-email: ilia Nikiforov <nikif002@umn.edu>, Ellad Tadmor <tadmor@umn.edu>, Claire Waters <bwaters@umn.edu>, "Daniel S. Karls" <karl0100umn@gmail.com>, Matt Bierbaum <matt.bierbaum@gmail.com>, Eric Fuemmeler <efuemmel@umn.edu>, Philipp Hoellmer <ph2484@nyu.edu>, Guanming Zhang <gz2241@nyu.edu>, Tom Egg <tje3676@nyu.edu>
 Maintainer-email: ilia Nikiforov <nikif002@umn.edu>