PyPI - mat3ra-esse - Versions diffs - 2024.4.9.post0__py3-none-any.whl → 2024.4.19.post1__py3-none-any.whl - Mend

mat3ra-esse 2024.4.9.post0py3-none-any.whl → 2024.4.19.post1py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Potentially problematic release.

This version of mat3ra-esse might be problematic. Click here for more details.

Files changed (13) hide show

mat3ra/esse/models/methods_category/physical/qm/wf/psp.py CHANGED Viewed

@@ -28,6 +28,7 @@ class SlugifiedEntryOrSlug(Enum):
 class SlugifiedEntryOrSlug213(Enum):
     us = "us"
     nc = "nc"
+    nc_fr = "nc-fr"
     paw = "paw"
     coulomb = "coulomb"

mat3ra/esse/models/methods_directory/physical/psp/__init__.py CHANGED Viewed

@@ -28,6 +28,7 @@ class SlugifiedEntryOrSlug(Enum):
 class SlugifiedEntryOrSlug209(Enum):
     us = "us"
     nc = "nc"
+    nc_fr = "nc-fr"
     paw = "paw"
     coulomb = "coulomb"
@@ -70,6 +71,7 @@ class Slug(Enum):
 class Type(Enum):
     us = "us"
     nc = "nc"
+    nc_fr = "nc-fr"
     paw = "paw"
     coulomb = "coulomb"

mat3ra/esse/models/methods_directory/physical/psp/file.py CHANGED Viewed

@@ -17,6 +17,7 @@ class Slug(Enum):
 class Type(Enum):
     us = "us"
     nc = "nc"
+    nc_fr = "nc-fr"
     paw = "paw"
     coulomb = "coulomb"

mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py CHANGED Viewed

@@ -13,6 +13,7 @@ from pydantic import BaseModel, Field, confloat, conint, constr
 class Type(Enum):
     us = "us"
     nc = "nc"
+    nc_fr = "nc-fr"
     paw = "paw"
     coulomb = "coulomb"

mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/db_entry.py CHANGED Viewed

@@ -41,7 +41,7 @@ class NISTJARVISAtomsSchema(BaseModel):
     """
-class NISTJARVISAtomsSchema1(BaseModel):
+class NISTJARVISDbEntrySchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
     )

{mat3ra_esse-2024.4.9.post0.dist-info → mat3ra_esse-2024.4.19.post1.dist-info}/METADATA RENAMED Viewed

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: mat3ra-esse
-Version: 2024.4.9.post0
+Version: 2024.4.19.post1
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE
@@ -28,9 +28,10 @@ Description-Content-Type: text/markdown
 License-File: LICENSE.md
 Requires-Dist: exabyte-json-include >=2023.12.23.post0
 Requires-Dist: jsonschema >=2.6.0
-Requires-Dist: datamodel-code-generator >=0.25.5
 Provides-Extra: all
-Requires-Dist: mat3ra-esse[tests] ; extra == 'all'
+Requires-Dist: mat3ra-esse[dev,tests] ; extra == 'all'
+Provides-Extra: dev
+Requires-Dist: datamodel-code-generator >=0.25.5 ; extra == 'dev'
 Provides-Extra: tests
 Requires-Dist: coverage[toml] >=5.3 ; extra == 'tests'
 Requires-Dist: parameterized >=0.9.0 ; extra == 'tests'

{mat3ra_esse-2024.4.9.post0.dist-info → mat3ra_esse-2024.4.19.post1.dist-info}/RECORD RENAMED Viewed

@@ -2,9 +2,9 @@ mat3ra/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 mat3ra/esse/__init__.py,sha256=nN0dOkxbOK6sWOTNr8aBGi9bQsI9sy6B2nn0UP29-sI,1244
 mat3ra/esse/utils.py,sha256=-FexdtkOYGEWmwJUwWDuJferibc7M1YzUH738Bffuxo,1727
 mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-mat3ra/esse/data/examples.py,sha256=foCkPV0bI0Mu3aoNB8ot6W6moANpdD8-3l6DxSg1w1s,45982
-mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
-mat3ra/esse/data/schemas.py,sha256=bNnrHiSmecFxtG_zFr3EvRNx_8cgPzknB4oyViT0PSk,1711404
+mat3ra/esse/data/examples.py,sha256=UhY-gekJp5W0P6wOha0iyQSiTuk1OyKQghHZotAwTaQ,50220
+mat3ra/esse/data/properties.py,sha256=kkA3X6cm8JAeR4dtSla0luukw9QT5LMBCxX2ckc_e6Y,6499
+mat3ra/esse/data/schemas.py,sha256=yOG_lwr1tfyDGn3AdJ60DKbJSGpJVMc7p3scfmfX104,1768555
 mat3ra/esse/models/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/element.py,sha256=zS58bFByO5oJ4V0jy-JVxFHkNxt0Mw_BJeqYqFIBWyU,1399
 mat3ra/esse/models/project.py,sha256=jIXh7TYx80gi2cBoI4gDbkSbxa6lJopE3OFZEQcdjok,1959
@@ -157,7 +157,7 @@ mat3ra/esse/models/methods_category/physical/qm/__init__.py,sha256=gZV3-eLbzTbkJ
 mat3ra/esse/models/methods_category/physical/qm/enum_options.py,sha256=vtB95CW2IL-rOijhaj8pL7TaNtB9SPg4hJW6lyAqGf0,254
 mat3ra/esse/models/methods_category/physical/qm/wf/__init__.py,sha256=sZbg3EgyLM9BvhY7mXzWYgj701vPhv9s4ot7HOQNm7g,1530
 mat3ra/esse/models/methods_category/physical/qm/wf/enum_options.py,sha256=r57BJlWm16kNzIDvWdv6ukljAnCGivauPXfOGGFwtao,257
-mat3ra/esse/models/methods_category/physical/qm/wf/psp.py,sha256=a58kDBvLwaEsY-USzOE2WtU_BBQOztMo7XQ6CW6upXs,1730
+mat3ra/esse/models/methods_category/physical/qm/wf/psp.py,sha256=7tszMfMa733OCxkM-ExH9QYapruCd6L5fg7KgvR1JYk,1750
 mat3ra/esse/models/methods_category/physical/qm/wf/pw.py,sha256=nC7S8OozJ1GHonn7rBcK8-JhFTqpjIDNDRfguSKSAoI,1594
 mat3ra/esse/models/methods_category/physical/qm/wf/smearing.py,sha256=YKqnzGzGU_DVhmsgL-hmrYC-43hyykwJQxda4D_6iuo,1825
 mat3ra/esse/models/methods_category/physical/qm/wf/tetrahedron.py,sha256=A1_VtHjGhZq5i0MPnL2Kk5Sz88aR3Oi5nW3EhiM-Mvg,1789
@@ -192,9 +192,9 @@ mat3ra/esse/models/methods_directory/physical/ao/dunning.py,sha256=LOTs84LTCiAvv
 mat3ra/esse/models/methods_directory/physical/ao/enum_options.py,sha256=24LQXbhPhUuC_B047_L5NqqciDa4YavgCvMootXt3yo,255
 mat3ra/esse/models/methods_directory/physical/ao/other.py,sha256=LJcXoSp8mcrnSswwxjDB-b0wH59U2V6DRVvRIyKMeP4,2870
 mat3ra/esse/models/methods_directory/physical/ao/pople.py,sha256=zmnVD8v5CZnmnU7QVaZIT7U4UbpN53l5Bd0vw1h4dA8,2692
-mat3ra/esse/models/methods_directory/physical/psp/__init__.py,sha256=F1V08Fzfm7_0bS0n4ionNRKilMFxCZtK1kaoRzfpz4w,4792
-mat3ra/esse/models/methods_directory/physical/psp/file.py,sha256=wmzACjZ1QnLJOfPD04sG-IucRaZBJJexPZR-4x_oYrI,2494
-mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py,sha256=4ed78CYl6SW3P5bygLhZ2bjEJ6Ys1NLYYhuv87fPjtE,2107
+mat3ra/esse/models/methods_directory/physical/psp/__init__.py,sha256=EAw1ubCD0_E8xzQhDMpEPEA6daR-lnCje5O_QuA9HrU,4832
+mat3ra/esse/models/methods_directory/physical/psp/file.py,sha256=_8B7F77YSNo7oM2rERuXSqCGBo9-UE3cMrSfV1Kl4LM,2514
+mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py,sha256=IVsuVRb1WJb86BwflzcbqeXFW6iGG31BsuqWEUyJwWs,2127
 mat3ra/esse/models/model/__init__.py,sha256=MvbFI-9V2i3XcIQRgvyyMgs2nw1SFjVno6jtuncMYGI,982
 mat3ra/esse/models/model/categorized_model.py,sha256=C8c_wAKTW2rbBYyg8DdfenNMN3waPstwIqZ6Zv72W0o,6271
 mat3ra/esse/models/model/model_parameters.py,sha256=AxtOeYZqxQUeOprMXCYodRQZrlu8c80sA7vlgg7ZNSM,3020
@@ -400,7 +400,7 @@ mat3ra/esse/models/system/timestampable.py,sha256=j2rfqgoqErB-EF0aysKzOL1RjNm1e3
 mat3ra/esse/models/system/use_values.py,sha256=cjd7PpR5R5u1KQU1nqtRkatWn9lIv26W4zmuXvLf9zE,264
 mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/atoms.py,sha256=YwJduUNwHdZh77fDqvPfQfwL8mpL2gc0jdEl88qMLYw,1452
-mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/db_entry.py,sha256=oGx1xMInU1lqFFc1Zh12vB38fbejjNm0q-tBv9oUT-k,1909
+mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/db_entry.py,sha256=dDz2tsrVagUgjlc9GMeIVo0dWHSB4PgE1YWz49Uhpfo,1910
 mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py,sha256=201el-nge_muLN6taPPS3AQCtddpTBsfwoArGYIstgk,74617
 mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py,sha256=D8v9-V9e_VUw8bNWLGJbfQZr_uvI3YsnR2LkmuJlIMY,1271
@@ -446,8 +446,8 @@ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=P8r
 mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=_sP19oWMA1EGFcQmOlH2bzFNQSPmBXofP-PBmj57AdU,354
 mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=cbr4N6MhbmePHgPFcFDW7Y7Tp9cC-szLmRDbo46NlTk,471
 mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=oYNxknQqD4tD9I-_L_wg12UOt4FyFm-q15-fObGk18w,943
-mat3ra_esse-2024.4.9.post0.dist-info/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
-mat3ra_esse-2024.4.9.post0.dist-info/METADATA,sha256=nOkjsjFrDOcWdKUtQV0XT45CoqTftH5xUdKZJfACVrc,8896
-mat3ra_esse-2024.4.9.post0.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
-mat3ra_esse-2024.4.9.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
-mat3ra_esse-2024.4.9.post0.dist-info/RECORD,,
+mat3ra_esse-2024.4.19.post1.dist-info/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
+mat3ra_esse-2024.4.19.post1.dist-info/METADATA,sha256=XPga_B5nNqSb9aRe7wkSF6OEYxFIuBTdsrXDy1CAeOE,8938
+mat3ra_esse-2024.4.19.post1.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
+mat3ra_esse-2024.4.19.post1.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
+mat3ra_esse-2024.4.19.post1.dist-info/RECORD,,

{mat3ra_esse-2024.4.9.post0.dist-info → mat3ra_esse-2024.4.19.post1.dist-info}/LICENSE.md RENAMED Viewed

File without changes

{mat3ra_esse-2024.4.9.post0.dist-info → mat3ra_esse-2024.4.19.post1.dist-info}/WHEEL RENAMED Viewed

File without changes

{mat3ra_esse-2024.4.9.post0.dist-info → mat3ra_esse-2024.4.19.post1.dist-info}/top_level.txt RENAMED Viewed

File without changes

mat3ra-esse 2024.4.9.post0__py3-none-any.whl → 2024.4.19.post1__py3-none-any.whl

Potentially problematic release.

mat3ra-esse 2024.4.9.post0py3-none-any.whl → 2024.4.19.post1py3-none-any.whl