ncrystal-python 4.4.4__py3-none-any.whl → 4.4.6__py3-none-any.whl

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__ = '4.4.4'
+__version__ = '4.4.6'
 __status__ = "Production"
 __author__ = "NCrystal developers (Thomas Kittelmann, Xiao Xiao Cai)"
 __copyright__ = "Copyright 2015-2024 %s"%__author__

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/_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-4.4.4.dist-info → ncrystal_python-4.4.6.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: ncrystal-python
-Version: 4.4.4
+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-4.4.4.dist-info → ncrystal_python-4.4.6.dist-info}/RECORD

@@ -1,4 +1,4 @@
-NCrystal/__init__.py,sha256=YKxRrxhOyeKGk27SeCYjh8nGTSXLVOwOSNG9SDEDlug,4151
+NCrystal/__init__.py,sha256=Ci1KrYeZh-D-bpb3Ls00qRCQHVTSBwJw4ZV3eitbnoE,4151
 NCrystal/__main__.py,sha256=oYk085KH-byQDyHDFiJ9eI_h5tvwN8yJ8CgjIqZSpbw,3624
 NCrystal/_chooks.py,sha256=ntNys5hOUYgKwq95J8ny-EUMKf5PF35SKuAvPMoLiaw,45242
 NCrystal/_cli_cif2ncmat.py,sha256=YaCHkN5qTQsRtftmayv-QQBnvjZ2x1Rs6F_LHJ6qZCw,14787
@@ -28,8 +28,8 @@ NCrystal/_mmc_doc.py,sha256=JF0PgyD4BJADJv3wN8vX-v5rIEEaMXXd6vToLt96Nuk,19458
 NCrystal/_mmc_impl.py,sha256=ogBq9WyjSLlYvVRHEYwt3iNL7F315e8Hq6o6uYUSJBo,17582
 NCrystal/_msg.py,sha256=E4oO1AtTiGa6Osa46n8WX9mUmi6PR3Wsg_6unS8zf1U,2624
 NCrystal/_ncmat2cpp_impl.py,sha256=_kEeOVTPT-E2kIF2Eccy4o-1htJjmXlkM9dQbwOBalk,18383
-NCrystal/_ncmat2endf_impl.py,sha256=dAVAwo29EuTRsiyCGw4eqlesSrOB5E2GCxR5wjahV6g,62918
-NCrystal/_ncmatimpl.py,sha256=gwJ4gYl3PR_7Mr7QMcTroyh9Pj6zaZvaJ5E9C6awFPE,96188
+NCrystal/_ncmat2endf_impl.py,sha256=qJykhTnVYxoaYNlgK2Pzhz1I0KqijcY65oPazDWwqKc,62943
+NCrystal/_ncmatimpl.py,sha256=rlsSxasE-2odsfsW4uc4KWVRfvF8DjbOJa6YiKWWlKQ,96670
 NCrystal/_numpy.py,sha256=Mfu2orb5f-q18-ccop6wiswZNGuQzqLCOzmFuDv-WGg,2924
 NCrystal/_sabutils.py,sha256=yTmr6cIsSqTQEItJqytWJ4dwweO_8uMSy4nTstJMpVw,4798
 NCrystal/_testimpl.py,sha256=ATMUoCJnolTXYwxnF_k7D4VLPYtHmNKeY-6xOaqDock,21743
@@ -57,9 +57,9 @@ NCrystal/plot.py,sha256=zndm1GT5VBVyKHHEVyJoccnfuGkHDRvs2PsblxGUEK4,28473
 NCrystal/plugins.py,sha256=jdyNHHjS6qJtisy1tqeWBidCSX1UX797hQFNEmqN50Y,2440
 NCrystal/test.py,sha256=ogLLfvXoTR_KiX0SWAFkqXSUDAzlgH_0cDPIVdqU2y8,2731
 NCrystal/vdos.py,sha256=PzP0abjpj9vW1JWSh-qY0_LSYSTwRXVvYrnkQOa9IfQ,47332
-ncrystal_python-4.4.4.dist-info/licenses/LICENSE,sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA,11358
-ncrystal_python-4.4.4.dist-info/METADATA,sha256=GGhZqEl5uIeK_QM6CVuJmlxxNZJN-tyQ88_kXGLmDkw,16274
-ncrystal_python-4.4.4.dist-info/WHEEL,sha256=aeYiig01lYGDzBgS8HxWXOg3uV61G9ijOsup-k9o1sk,91
-ncrystal_python-4.4.4.dist-info/entry_points.txt,sha256=GPVTPLWJz1NCRMTEA0SjBrn8d-o0G57uzz885qA54Uc,642
-ncrystal_python-4.4.4.dist-info/top_level.txt,sha256=VIJdIQMfLIbKpFXA8xm0fKY5okz8s5IHrZTYDSH18y0,9
-ncrystal_python-4.4.4.dist-info/RECORD,,
+ncrystal_python-4.4.6.dist-info/licenses/LICENSE,sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA,11358
+ncrystal_python-4.4.6.dist-info/METADATA,sha256=reNC_Tif2vpv9l4_mebd6nXoYNXJeMKsppiyuxxRTc8,16274
+ncrystal_python-4.4.6.dist-info/WHEEL,sha256=aeYiig01lYGDzBgS8HxWXOg3uV61G9ijOsup-k9o1sk,91
+ncrystal_python-4.4.6.dist-info/entry_points.txt,sha256=GPVTPLWJz1NCRMTEA0SjBrn8d-o0G57uzz885qA54Uc,642
+ncrystal_python-4.4.6.dist-info/top_level.txt,sha256=VIJdIQMfLIbKpFXA8xm0fKY5okz8s5IHrZTYDSH18y0,9
+ncrystal_python-4.4.6.dist-info/RECORD,,