mp-api 0.45.2__tar.gz → 0.45.4__tar.gz

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.
Files changed (115) hide show
  1. {mp_api-0.45.2 → mp_api-0.45.4}/PKG-INFO +3 -2
  2. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/core/client.py +2 -9
  3. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/summary.py +4 -4
  4. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api.egg-info/PKG-INFO +3 -2
  5. {mp_api-0.45.2 → mp_api-0.45.4}/.coveragerc +0 -0
  6. {mp_api-0.45.2 → mp_api-0.45.4}/.github/workflows/lint.yml +0 -0
  7. {mp_api-0.45.2 → mp_api-0.45.4}/.github/workflows/release.yml +0 -0
  8. {mp_api-0.45.2 → mp_api-0.45.4}/.github/workflows/testing.yml +0 -0
  9. {mp_api-0.45.2 → mp_api-0.45.4}/.github/workflows/upgrade_dependencies.yml +0 -0
  10. {mp_api-0.45.2 → mp_api-0.45.4}/.gitignore +0 -0
  11. {mp_api-0.45.2 → mp_api-0.45.4}/.pre-commit-config.yaml +0 -0
  12. {mp_api-0.45.2 → mp_api-0.45.4}/CODE_OF_CONDUCT.md +0 -0
  13. {mp_api-0.45.2 → mp_api-0.45.4}/LICENSE +0 -0
  14. {mp_api-0.45.2 → mp_api-0.45.4}/README.md +0 -0
  15. {mp_api-0.45.2 → mp_api-0.45.4}/docs/Makefile +0 -0
  16. {mp_api-0.45.2 → mp_api-0.45.4}/docs/_templates/custom-class-template.rst +0 -0
  17. {mp_api-0.45.2 → mp_api-0.45.4}/docs/_templates/custom-module-template.rst +0 -0
  18. {mp_api-0.45.2 → mp_api-0.45.4}/docs/conf.py +0 -0
  19. {mp_api-0.45.2 → mp_api-0.45.4}/docs/index.rst +0 -0
  20. {mp_api-0.45.2 → mp_api-0.45.4}/docs/make.bat +0 -0
  21. {mp_api-0.45.2 → mp_api-0.45.4}/docs/modules.rst +0 -0
  22. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/__init__.py +0 -0
  23. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/core/__init__.py +0 -0
  24. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/core/settings.py +0 -0
  25. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/core/utils.py +0 -0
  26. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/mprester.py +0 -0
  27. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/__init__.py +0 -0
  28. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/_general_store.py +0 -0
  29. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/_messages.py +0 -0
  30. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/_user_settings.py +0 -0
  31. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/__init__.py +0 -0
  32. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/absorption.py +0 -0
  33. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/alloys.py +0 -0
  34. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/bonds.py +0 -0
  35. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/chemenv.py +0 -0
  36. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/dielectric.py +0 -0
  37. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/doi.py +0 -0
  38. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/elasticity.py +0 -0
  39. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/electrodes.py +0 -0
  40. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/electronic_structure.py +0 -0
  41. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/eos.py +0 -0
  42. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/grain_boundaries.py +0 -0
  43. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/magnetism.py +0 -0
  44. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/materials.py +0 -0
  45. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/oxidation_states.py +0 -0
  46. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/phonon.py +0 -0
  47. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/piezo.py +0 -0
  48. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/provenance.py +0 -0
  49. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/robocrys.py +0 -0
  50. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/similarity.py +0 -0
  51. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/substrates.py +0 -0
  52. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/summary.py +0 -0
  53. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/surface_properties.py +0 -0
  54. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/synthesis.py +0 -0
  55. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/tasks.py +0 -0
  56. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/thermo.py +0 -0
  57. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/materials/xas.py +0 -0
  58. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/__init__.py +0 -0
  59. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/bonds.py +0 -0
  60. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/jcesr.py +0 -0
  61. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/molecules.py +0 -0
  62. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/orbitals.py +0 -0
  63. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/partial_charges.py +0 -0
  64. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/partial_spins.py +0 -0
  65. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/redox.py +0 -0
  66. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/tasks.py +0 -0
  67. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/thermo.py +0 -0
  68. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api/client/routes/molecules/vibrations.py +0 -0
  69. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api.egg-info/SOURCES.txt +0 -0
  70. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api.egg-info/dependency_links.txt +0 -0
  71. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api.egg-info/requires.txt +0 -0
  72. {mp_api-0.45.2 → mp_api-0.45.4}/mp_api.egg-info/top_level.txt +0 -0
  73. {mp_api-0.45.2 → mp_api-0.45.4}/pyproject.toml +0 -0
  74. {mp_api-0.45.2 → mp_api-0.45.4}/requirements/requirements-ubuntu-latest_py3.10.txt +0 -0
  75. {mp_api-0.45.2 → mp_api-0.45.4}/requirements/requirements-ubuntu-latest_py3.10_extras.txt +0 -0
  76. {mp_api-0.45.2 → mp_api-0.45.4}/requirements/requirements-ubuntu-latest_py3.11.txt +0 -0
  77. {mp_api-0.45.2 → mp_api-0.45.4}/requirements/requirements-ubuntu-latest_py3.11_extras.txt +0 -0
  78. {mp_api-0.45.2 → mp_api-0.45.4}/setup.cfg +0 -0
  79. {mp_api-0.45.2 → mp_api-0.45.4}/test_files/Si_mp_149.cif +0 -0
  80. {mp_api-0.45.2 → mp_api-0.45.4}/test_files/calcs_reversed_mp_1031016.json +0 -0
  81. {mp_api-0.45.2 → mp_api-0.45.4}/test_files/materials_Li_Fe_V.json +0 -0
  82. {mp_api-0.45.2 → mp_api-0.45.4}/test_files/synth_doc.json +0 -0
  83. {mp_api-0.45.2 → mp_api-0.45.4}/test_files/synth_doc_adaptor.json +0 -0
  84. {mp_api-0.45.2 → mp_api-0.45.4}/test_files/synth_doc_adaptor_synpro.json +0 -0
  85. {mp_api-0.45.2 → mp_api-0.45.4}/test_files/tasks_Li_Fe_V.json +0 -0
  86. {mp_api-0.45.2 → mp_api-0.45.4}/tests/__init__.py +0 -0
  87. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/core_function.py +0 -0
  88. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_bonds.py +0 -0
  89. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_chemenv.py +0 -0
  90. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_dielectric.py +0 -0
  91. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_elasticity.py +0 -0
  92. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_electrodes.py +0 -0
  93. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_electronic_structure.py +0 -0
  94. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_eos.py +0 -0
  95. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_grain_boundary.py +0 -0
  96. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_magnetism.py +0 -0
  97. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_materials.py +0 -0
  98. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_oxidation_states.py +0 -0
  99. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_piezo.py +0 -0
  100. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_provenance.py +0 -0
  101. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_robocrys.py +0 -0
  102. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_substrates.py +0 -0
  103. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_summary.py +0 -0
  104. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_surface_properties.py +0 -0
  105. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_synthesis.py +0 -0
  106. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_tasks.py +0 -0
  107. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_thermo.py +0 -0
  108. {mp_api-0.45.2 → mp_api-0.45.4}/tests/materials/test_xas.py +0 -0
  109. {mp_api-0.45.2 → mp_api-0.45.4}/tests/molecules/__init__.py +0 -0
  110. {mp_api-0.45.2 → mp_api-0.45.4}/tests/molecules/core_function.py +0 -0
  111. {mp_api-0.45.2 → mp_api-0.45.4}/tests/molecules/test_jcesr.py +0 -0
  112. {mp_api-0.45.2 → mp_api-0.45.4}/tests/molecules/test_summary.py +0 -0
  113. {mp_api-0.45.2 → mp_api-0.45.4}/tests/test_client.py +0 -0
  114. {mp_api-0.45.2 → mp_api-0.45.4}/tests/test_core_client.py +0 -0
  115. {mp_api-0.45.2 → mp_api-0.45.4}/tests/test_mprester.py +0 -0
@@ -1,6 +1,6 @@
1
- Metadata-Version: 2.2
1
+ Metadata-Version: 2.4
2
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  Name: mp-api
3
- Version: 0.45.2
3
+ Version: 0.45.4
4
4
  Summary: API Client for the Materials Project
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5
  Author-email: The Materials Project <feedback@materialsproject.org>
6
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  License: modified BSD
@@ -40,6 +40,7 @@ Requires-Dist: mypy-extensions; extra == "test"
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  Requires-Dist: typing-extensions; extra == "test"
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  Requires-Dist: types-setuptools; extra == "test"
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  Requires-Dist: types-requests; extra == "test"
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+ Dynamic: license-file
43
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44
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  # The Materials Project API
45
46
 
@@ -14,7 +14,6 @@ import sys
14
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  import warnings
15
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  from concurrent.futures import FIRST_COMPLETED, ThreadPoolExecutor, wait
16
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  from copy import copy
17
- from datetime import datetime
18
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  from functools import cache
19
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  from importlib.metadata import PackageNotFoundError, version
20
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  from json import JSONDecodeError
@@ -223,18 +222,12 @@ class BaseRester(Generic[T]):
223
222
  remains unchanged and available for querying via its task_id.
224
223
 
225
224
  The database version is set as a date in the format YYYY_MM_DD,
226
- where "_DD" may be optional. An additional numerical suffix
225
+ where "_DD" may be optional. An additional numerical or `postN` suffix
227
226
  might be added if multiple releases happen on the same day.
228
227
 
229
228
  Returns: database version as a string
230
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  """
231
- date_str = requests.get(url=endpoint + "heartbeat").json()["db_version"]
232
- # Convert the string to a datetime object
233
- date_obj = datetime.strptime(date_str, "%Y.%m.%d")
234
-
235
- # Format the datetime object as a string
236
- formatted_date = date_obj.strftime("%Y.%m.%d")
237
- return formatted_date
230
+ return requests.get(url=endpoint + "heartbeat").json()["db_version"]
238
231
 
239
232
  def _post_resource(
240
233
  self,
@@ -19,7 +19,7 @@ class MoleculesSummaryRester(BaseRester[MoleculeSummaryDoc]):
19
19
  spin_multiplicity: int | None = None,
20
20
  nelements: tuple[int, int] | None = None,
21
21
  chemsys: str | list[str] | None = None,
22
- deprecated: bool | None = None,
22
+ # deprecated: bool | None = None,
23
23
  elements: list[str] | None = None,
24
24
  exclude_elements: list[str] | None = None,
25
25
  formula: str | list[str] | None = None,
@@ -52,7 +52,7 @@ class MoleculesSummaryRester(BaseRester[MoleculeSummaryDoc]):
52
52
  # ["wB97X-V/def2-TZVPPD/SMD(VACUUM)", "wB97M-V/def2-QZVPPD/SMD(SOLVENT=WATER)"])
53
53
  chemsys (str, List[str]): A chemical system, list of chemical systems
54
54
  (e.g., Li-C-O, [C-O-H-N, Li-N]).
55
- deprecated (bool): Whether the material is tagged as deprecated.
55
+ #deprecated (bool): Whether the material is tagged as deprecated.
56
56
  elements (List[str]): A list of elements.
57
57
  exclude_elements (List(str)): List of elements to exclude.
58
58
  formula (str, List[str]): An alphabetical formula or list of formulas
@@ -98,8 +98,8 @@ class MoleculesSummaryRester(BaseRester[MoleculeSummaryDoc]):
98
98
  if spin_multiplicity:
99
99
  query_params.update({"spin_multiplicity": spin_multiplicity})
100
100
 
101
- if deprecated is not None:
102
- query_params.update({"deprecated": deprecated})
101
+ # if deprecated is not None:
102
+ # query_params.update({"deprecated": deprecated})
103
103
 
104
104
  if formula:
105
105
  if isinstance(formula, str):
@@ -1,6 +1,6 @@
1
- Metadata-Version: 2.2
1
+ Metadata-Version: 2.4
2
2
  Name: mp-api
3
- Version: 0.45.2
3
+ Version: 0.45.4
4
4
  Summary: API Client for the Materials Project
5
5
  Author-email: The Materials Project <feedback@materialsproject.org>
6
6
  License: modified BSD
@@ -40,6 +40,7 @@ Requires-Dist: mypy-extensions; extra == "test"
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40
  Requires-Dist: typing-extensions; extra == "test"
41
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  Requires-Dist: types-setuptools; extra == "test"
42
42
  Requires-Dist: types-requests; extra == "test"
43
+ Dynamic: license-file
43
44
 
44
45
  # The Materials Project API
45
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