ncrystal-python 4.4.2__tar.gz → 4.4.6__tar.gz

{ncrystal_python-4.4.2/src/ncrystal_python.egg-info → ncrystal_python-4.4.6}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: ncrystal-python
-Version: 4.4.2
+Version: 4.4.6
 Summary: Library for thermal neutron transport in crystals and other materials.
 Author: NCrystal developers (Thomas Kittelmann, Xiao Xiao Cai)
 License: 

{ncrystal_python-4.4.2 → ncrystal_python-4.4.6}/src/NCrystal/__init__.py

@@ -55,7 +55,7 @@ For detailed usage conditions and licensing of this open source project, see:
 
 #NB: Synchronize meta-data below with fields in setup.py+template_setup.py.in meta data:
 __license__ = "Apache 2.0, http://www.apache.org/licenses/LICENSE-2.0"
-__version__ = '4.4.2'
+__version__ = '4.4.6'
 __status__ = "Production"
 __author__ = "NCrystal developers (Thomas Kittelmann, Xiao Xiao Cai)"
 __copyright__ = "Copyright 2015-2024 %s"%__author__

{ncrystal_python-4.4.2 → ncrystal_python-4.4.6}/src/NCrystal/_cliimpl.py

@@ -80,8 +80,8 @@ def create_ArgumentParser( *args, **kwargs ):
         f(parser)
 
     thepyversion = _pyversion()
-    if thepyversion < (3,13) and hasattr(parser,'_check_value'):
-        #Monkey patch object to have same _check_value as in 3.13
+    if thepyversion < (3,14) and hasattr(parser,'_check_value'):
+        #Monkey patch object to have same _check_value as in 3.14
         def _check_value( action, value):
             # converted value must be one of the choices (if specified)
             choices = action.choices
@@ -90,7 +90,8 @@ def create_ArgumentParser( *args, **kwargs ):
                     choices = iter(choices)
                 if value not in choices:
                     args = {'value': str(value),
-                            'choices': ', '.join(map(str, action.choices))}
+                            'choices': ', '.join(repr(str(choice))
+                                                 for choice in action.choices)}
                     from gettext import gettext as _
                     msg = _('invalid choice: %(value)r'
                             ' (choose from %(choices)s)')

{ncrystal_python-4.4.2 → ncrystal_python-4.4.6}/src/NCrystal/_ncmat2endf_impl.py

@@ -567,7 +567,7 @@ class NuclearData():
                 # contain numbers that cannot be represented
                 # as distinct FORTRAN reals in the ENDF-6 file
                 #
-                sab.shape = (beta.size, alpha.size)
+                sab = sab.reshape(beta.size, alpha.size)
                 sab_int = _interp2d(self._elems[sym].alpha*T0/T,
                           self._elems[sym].beta_total*T0/T,
                           alpha, beta, sab.transpose()).transpose()
@@ -762,7 +762,7 @@ class EndfFile():
                 # S(a,b) for negative beta
                 # get negative branch of S(a,b)
                 sab_sym2 = sab_total[_np.where(beta_grid<=0)]
-                sab_sym2.shape = (len(beta), len(alpha))
+                sab_sym2 = sab_sym2.reshape(len(beta), len(alpha))
                 sab_sym3 = sab_sym2[::-1,:]  # Invert S(a,b) for negative beta
                 sab_data.append(sab_sym3.transpose())
                 continue
@@ -776,7 +776,7 @@ class EndfFile():
                 sab_sym = sab_total*detailed_balance_factor
                 # get negative branch of S(a,b)
                 sab_sym2 = sab_sym[_np.where(beta_grid<=0)]
-                sab_sym2.shape = (len(beta), len(alpha))
+                sab_sym2 = sab_sym2.reshape(len(beta), len(alpha))
                 # Invert S(a,b) for negative beta
                 sab_sym3 = sab_sym2[::-1,:]
                 sab_data.append(sab_sym3.transpose())

{ncrystal_python-4.4.2 → ncrystal_python-4.4.6}/src/NCrystal/_ncmatimpl.py

@@ -2062,14 +2062,21 @@ def _cifdata_via_ase( data_or_file, ase_format = None, quiet = False ):
                 ase_format = 'cif'
         assert isinstance(ase_format,str)
         prfct('Attempting to load data via ASE')
-        if dof_str:
-            assert isinstance(dof_str,str)
-            with io.StringIO(dof_str) as memfile:
-                ase_obj = ase_io.read( memfile, format = ase_format )
-        else:
-            assert isinstance(dof_bytes,bytes)
-            with io.BytesIO(dof_bytes) as memfile:
-                ase_obj = ase_io.read( memfile, format = ase_format )
+        #Temporary workaround to quiet a DeprecationWarning from Numpy 2.5+
+        #(jun2026) triggered by ASE. We can remove it again in a few years:
+        import warnings
+        with warnings.catch_warnings():
+            warnings.filterwarnings( "ignore", category=DeprecationWarning,
+                                     message=('.*Setting the shape on a NumPy'
+                                              ' array has been deprecated.*'))
+            if dof_str:
+                assert isinstance(dof_str,str)
+                with io.StringIO(dof_str) as memfile:
+                    ase_obj = ase_io.read( memfile, format = ase_format )
+            else:
+                assert isinstance(dof_bytes,bytes)
+                with io.BytesIO(dof_bytes) as memfile:
+                    ase_obj = ase_io.read( memfile, format = ase_format )
 
     assert ase_obj is not None
 

{ncrystal_python-4.4.2 → ncrystal_python-4.4.6/src/ncrystal_python.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: ncrystal-python
-Version: 4.4.2
+Version: 4.4.6
 Summary: Library for thermal neutron transport in crystals and other materials.
 Author: NCrystal developers (Thomas Kittelmann, Xiao Xiao Cai)
 License: