kim-tools 0.3.12__py3-none-any.whl → 0.3.14__py3-none-any.whl

kim_tools/__init__.py

@@ -1,4 +1,4 @@
-__version__ = "0.3.12"
+__version__ = "0.3.14"
 
 from .aflow_util import *
 from .aflow_util import __all__ as aflow_all

kim_tools/test_driver/core.py

@@ -63,7 +63,6 @@ from kim_property import (
 )
 from kim_property.modify import STANDARD_KEYS_SCLAR_OR_WITH_EXTENT
 from kim_query import raw_query
-from lammps import lammps
 
 from ..aflow_util import (
     AFLOW,
@@ -116,6 +115,8 @@ def get_supported_lammps_atom_style(model: str) -> str:
     """
     Get the supported LAMMPS atom_style of a KIM model
     """
+    from lammps import lammps
+
     candidate_atom_styles = ("atomic", "charge", "full")
     banned_species = "electron"  # Species in KIM models not understood by ASE
     supported_species = get_model_supported_species(model)
@@ -394,8 +395,15 @@ def _add_property_instance(
                                 property_name = path_str
                                 found_custom_property = True
                                 break
-                    except Exception:
-                        pass
+                    except Exception as e:
+                        msg = (
+                            "MESSAGE: Trying to load a property from the .edn file at\n"
+                            f"{path}\n"
+                            "failed with the following exception:\n"
+                            f"{repr(e)}"
+                        )
+                        logger.info(msg)
+                        print(msg)
 
         if not found_custom_property:
             raise KIMTestDriverError(

{kim_tools-0.3.12.dist-info → kim_tools-0.3.14.dist-info}/METADATA

@@ -1,8 +1,8 @@
 Metadata-Version: 2.4
 Name: kim-tools
-Version: 0.3.12
+Version: 0.3.14
 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>
+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>, Navaneeth Mohan <mohan227@umn.edu>
 Maintainer-email: ilia Nikiforov <nikif002@umn.edu>
 Project-URL: Homepage, https://kim-tools.readthedocs.io
 Project-URL: Issues, https://github.com/openkim/kim-tools/issues

{kim_tools-0.3.12.dist-info → kim_tools-0.3.14.dist-info}/RECORD

@@ -1,4 +1,4 @@
-kim_tools/__init__.py,sha256=XRHmB1BHWaanuFE2Vv5PlYWkHy7vTHPIhkbVMO6edXk,434
+kim_tools/__init__.py,sha256=AuqIorzhd0c8dO9U86Y76UJf7a0jVLH1TgRsPHpUnAY,434
 kim_tools/kimunits.py,sha256=jOxBv9gRVhxPE6ygAIUxOzCAfPI6tT6sBaF_FNl9m-M,5387
 kim_tools/aflow_util/__init__.py,sha256=lJnQ8fZCma80QVRQeKvY4MQ87oCWu-9KATV3dKJfpDc,80
 kim_tools/aflow_util/core.py,sha256=mMS2r9ayJJ6ApOFTAIkCZ72Dg3g1EnREbrqe2YEipMo,81273
@@ -2023,11 +2023,11 @@ kim_tools/symmetry_util/data/wyck_pos_xform_under_normalizer.json,sha256=6g1YuYh
 kim_tools/symmetry_util/data/wyckoff_multiplicities.json,sha256=qG2RPBd_-ejDIfz-E4ZhkHyRpIboxRy7oiXkdDf5Eg8,32270
 kim_tools/symmetry_util/data/wyckoff_sets.json,sha256=f5ZpHKDHo6_JWki1b7KUGoYLlhU-44Qikw_-PtbLssw,9248
 kim_tools/test_driver/__init__.py,sha256=KOiceeZNqkfrgZ66CiRiUdniceDrCmmDXQkOw0wXaCQ,92
-kim_tools/test_driver/core.py,sha256=kAsYuF8ofpv1BstxIP6VXtwD4NBIDPkYfq24L4igoro,101256
+kim_tools/test_driver/core.py,sha256=3UUru2HfDZMD4zeA6lxVnUPr5KjQQhFAbRS1XA-WngY,101610
 kim_tools/vc/__init__.py,sha256=zXjhxXCKVMLBMXXWYG3if7VOpBnsFrn_RjVpnohDm5c,74
 kim_tools/vc/core.py,sha256=BIjzEExnQAL2S90a_npptRm3ACqAo4fZBtvTDBMWMdw,13963
-kim_tools-0.3.12.dist-info/licenses/LICENSE.CDDL,sha256=I2luEED_SHjuZ01B4rYG-AF_135amL24JpHvZ1Jhqe8,16373
-kim_tools-0.3.12.dist-info/METADATA,sha256=jTOFzRUe1CiqdyC6-If1svbA2JSxPQ2zCm-Q4965oKY,2033
-kim_tools-0.3.12.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-kim_tools-0.3.12.dist-info/top_level.txt,sha256=w_YCpJ5ERigj9te74ln7k64tqj1VumOzM_s9dsalIWY,10
-kim_tools-0.3.12.dist-info/RECORD,,
+kim_tools-0.3.14.dist-info/licenses/LICENSE.CDDL,sha256=I2luEED_SHjuZ01B4rYG-AF_135amL24JpHvZ1Jhqe8,16373
+kim_tools-0.3.14.dist-info/METADATA,sha256=wlncCjqUZ4fXHQeGIM4pdIw5NMUfqxUaJzM60fSfsL4,2069
+kim_tools-0.3.14.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+kim_tools-0.3.14.dist-info/top_level.txt,sha256=w_YCpJ5ERigj9te74ln7k64tqj1VumOzM_s9dsalIWY,10
+kim_tools-0.3.14.dist-info/RECORD,,