mat3ra-esse 2024.12.19.post0__py3-none-any.whl → 2025.1.27.post0__py3-none-any.whl

{mat3ra_esse-2024.12.19.post0.dist-info → mat3ra_esse-2025.1.27.post0.dist-info}/RECORD

@@ -2,12 +2,12 @@ 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=UhY-gekJp5W0P6wOha0iyQSiTuk1OyKQghHZotAwTaQ,50220
-mat3ra/esse/data/properties.py,sha256=kkA3X6cm8JAeR4dtSla0luukw9QT5LMBCxX2ckc_e6Y,6499
-mat3ra/esse/data/schemas.py,sha256=yOG_lwr1tfyDGn3AdJ60DKbJSGpJVMc7p3scfmfX104,1768555
+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=bSG4gOM-5anB4MrBoqYdEvEdYZBJUWUjwLtmbNc8tyg,1563734
 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
+mat3ra/esse/models/element.py,sha256=bjzVCyGXLFXWVX7vEN3_gRqA9gjf-KluR6qndjZ9F6k,1399
+mat3ra/esse/models/project.py,sha256=22w_YdnTCUdAlGTVVDDwkksRf3zwWdyQJYjS9OBCLGw,1148
 mat3ra/esse/models/core/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/core/abstract/2d_data.py,sha256=QiWkaGXriph7QwLWF3LuRddSal7fLEakNMh2DkuCNCc,426
 mat3ra/esse/models/core/abstract/2d_plot.py,sha256=q2qJuDQ10UtiJvZcGzWWv9T9qHJ8HwP-kING3w6cUWM,812
@@ -36,7 +36,7 @@ mat3ra/esse/models/core/primitive/linked_list/base_node.py,sha256=3K88WtJSlSuF3j
 mat3ra/esse/models/core/primitive/linked_list/named_node.py,sha256=k8Rn64wFioPqBMZqTdlq3ui6l53tm1n8Wz42tKGHQMk,642
 mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py,sha256=evGnsbe2V2bEM0vw-fAtDNG8O3svAQHemffDlISmxcY,855
 mat3ra/esse/models/core/primitive/linked_list/node_with_type.py,sha256=juzSHtZL3vVGdpbX5jVXmKlXPCp3LazEAjj0RztAKM4,614
-mat3ra/esse/models/core/reference/__init__.py,sha256=d_awbulX8CnDrrYwsmTKDx_eltObda-Pc8WCUyJuW9o,6447
+mat3ra/esse/models/core/reference/__init__.py,sha256=YO4pZ6G-CBG8aSPXinK1TnyM6pc9QcjFva9L70-i8HU,6436
 mat3ra/esse/models/core/reference/exabyte.py,sha256=j36ZuBsaN8xG6dBe9Y2XCo2ivwzRZDz_fdIse9dYwjQ,486
 mat3ra/esse/models/core/reference/experiment/__init__.py,sha256=_wYfQrahkPxM_1S_kGoj5RSUiWEu4yBHQQBdXiLyprQ,3476
 mat3ra/esse/models/core/reference/experiment/condition.py,sha256=bFEN0IIoqrkAEJdfnPUpiS84xn0JwbcBZ87-g9ECQDo,544
@@ -44,8 +44,8 @@ mat3ra/esse/models/core/reference/experiment/location.py,sha256=39VrKI0KhI3qiJ1t
 mat3ra/esse/models/core/reference/literature/__init__.py,sha256=2eN2N7Wtx416D8pS4t8Y2I7ef_O2k-qMYCJOo4t-j4E,2290
 mat3ra/esse/models/core/reference/literature/name.py,sha256=McNpP3OvtP-3n0e3yj_Jrs7K416gFvVxlK0D72O-OWY,347
 mat3ra/esse/models/core/reference/literature/pages.py,sha256=TifmQaRMtLzNLi8O68dn7WQOXWA8eIAUzETbdcGlsnE,282
-mat3ra/esse/models/core/reference/modeling/__init__.py,sha256=RnSCf_RYCNcmd6xrUm37C3KmvqVq-bOihQvf_5vDa-o,1180
-mat3ra/esse/models/core/reference/modeling/exabyte.py,sha256=ZFkOnr5vJ_fqTTMlzxfgIPz82zczI8QSGUJXcq3-T7Y,891
+mat3ra/esse/models/core/reference/modeling/__init__.py,sha256=20Ox9d9M88L7YWKBNLVSrByIoku6npNR5bpsJpo5VLw,1169
+mat3ra/esse/models/core/reference/modeling/exabyte.py,sha256=tCkLFCUHtOgRX9xoyp3qxUk0JCBUZJ9jwC-P0qnsTfQ,880
 mat3ra/esse/models/core/reusable/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py,sha256=aohJpagkNgUofbECgsQRLgq2-niAwMF9Bu08ciWUD38,661
 mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py,sha256=HgyVXkxlrwRAvzF31wYV1pIurfOUT6maP0U6_Fvuxkc,1050
@@ -69,16 +69,18 @@ mat3ra/esse/models/core/reusable/atomic_data/value_string.py,sha256=R2giNsJ9NPuZ
 mat3ra/esse/models/definitions/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/definitions/units.py,sha256=SwcoyyjPTBDph9D5Qt8FAGv7ecCllAY9CfRAO40mazk,230
 mat3ra/esse/models/in_memory_entity/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
-mat3ra/esse/models/in_memory_entity/base.py,sha256=rlUwwy8VcTWizEiLrpMWM7IDxDW6-7EWg3i719jv1u4,1391
-mat3ra/esse/models/in_memory_entity/defaultable.py,sha256=GawPZqLDWwH8yOdcWfqJnaIBsxDzz7LONL8tUf0z5IA,1501
-mat3ra/esse/models/in_memory_entity/named.py,sha256=t8mcnHDdlX4A-P7Ij_VFROdq0MieDbfyFdg73ZnQdLE,1456
-mat3ra/esse/models/in_memory_entity/named_defaultable.py,sha256=BbQzM0LjA1ZWucqrtkODE33hkcFQIXi8cyn5I3mXGdk,1575
-mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py,sha256=i0a9YXP4ZAlHHiZ3daEfbV8mGAf8tQWFS5GEEtL2Pg0,1656
-mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py,sha256=xZh0WfmX3r-oqwGdBFB0CAVR6XjMy33VP9FyRQzrshI,2258
-mat3ra/esse/models/job/__init__.py,sha256=LFUa2dovAjIC-DfYl-_vvxVhZYVTrVQ43_6G7eYD5R0,82278
-mat3ra/esse/models/job/base.py,sha256=MGQTYxPCYl0G-TiiseSSL0z7q-KywHlrSSvfSGkRzS4,8888
+mat3ra/esse/models/in_memory_entity/base.py,sha256=idQCpdab18ut3w5IKn8BMbGp0LGYFI2FzNk4YWPJDPE,574
+mat3ra/esse/models/in_memory_entity/defaultable.py,sha256=4dLJ0qRowvO8VJdvFrT83HdRqMos5op5z28oClUscjE,684
+mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py,sha256=mNOa8ypT6Etlj-OqX0U5q7XEBJgClHuhdlK0bB1a2E4,1582
+mat3ra/esse/models/in_memory_entity/named.py,sha256=DZFtQPv8QtP-CjMnSJIV3aqhflk8dHJIihvTmQ1J1jg,639
+mat3ra/esse/models/in_memory_entity/named_defaultable.py,sha256=c2Jz5n6-58bMKBX3dhVbP_9IRBuV-BMzON-C3HhzSCE,758
+mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py,sha256=YEnxsoiNFy2HZ-FYzElOhp5KK4H6aiDhYXl0JafgXEw,839
+mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py,sha256=Tk1xHmxVitBos1LYJnvoOhaL4uLchX2rss_kEwjrT2w,1447
+mat3ra/esse/models/job/__init__.py,sha256=mnw6rni6dQmhEyMyGrqLhGBEnRMDq77BD_R7fmQJ6ik,64946
+mat3ra/esse/models/job/base.py,sha256=J45R_n8riFXTpJWjcSSrmBi-Ly-ghS5C-AGUzHAlr5I,8088
 mat3ra/esse/models/job/compute.py,sha256=j7WZckhz-araRx57FB3KM6vEO3w4bARCexaNizt6J2Q,5501
-mat3ra/esse/models/material/__init__.py,sha256=IM-E8zuFh6zB3ZmUZfouYh-Ff5I3IKy3C6o66VBkekk,10087
+mat3ra/esse/models/material/__init__.py,sha256=2IvpmkconJkbINBOSsI_OLRxh4M8HN4EwKps71TSqBY,10106
+mat3ra/esse/models/material/consistency_check.py,sha256=c_GdQ4QW41tyU9LcDSpkLG8gl7a1WLtb-K257__hr8U,934
 mat3ra/esse/models/material/conventional.py,sha256=H3OFeL6mQqOfRAzvUZl3BkBPb1zd7LdYMW6Mj4eixbM,303
 mat3ra/esse/models/method/__init__.py,sha256=UZjz8LEOsihxSjjQpzF4eno0b1JnCwZI_qbHv0lYI0s,668
 mat3ra/esse/models/method/categorized_method.py,sha256=dA394fRjjwlwPjobK0G4TSpX1gzYJ9dki5m4gOeWByo,2479
@@ -251,7 +253,7 @@ mat3ra/esse/models/models_directory/legacy/dft.py,sha256=cgMStYrbx5Id633DbHdCjbe
 mat3ra/esse/models/models_directory/legacy/ml.py,sha256=MhZ2qFy7U_pfaa7he7fss9z3uMvKDz12QQAxI_znbok,1112
 mat3ra/esse/models/models_directory/legacy/unknown.py,sha256=I7kuuAgzjwa_DC37AB5FoEMmT79BSijPGO8Kcu-rkfg,1134
 mat3ra/esse/models/properties_directory/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
-mat3ra/esse/models/properties_directory/derived_properties.py,sha256=H_Dlhsp32qOwcTPMa1bOQLPwCFWkiDzy2QTRTp7R6eA,3041
+mat3ra/esse/models/properties_directory/derived_properties.py,sha256=EKtQgsVRT5J7pQFOio27lpbBc45TtlhTVGUszOwH0bc,3041
 mat3ra/esse/models/properties_directory/electronic_configuration.py,sha256=bAoa9buT4mCtJU9KoVmAmqfgyY4sTmMNcnSetx7PbYw,480
 mat3ra/esse/models/properties_directory/elemental/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/properties_directory/elemental/atomic_radius.py,sha256=L9ynRMR9ZqavL3zpnIriOMZKldhsOZoZA_41i03msDE,649
@@ -273,7 +275,7 @@ mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py,sha256=54xPOs8Q
 mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py,sha256=zRVd70BWytqaUyAq2Bnm0pP66Be2vMyUIs79vFUJeK8,1394
 mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py,sha256=saD4AeQ8jjdDrmLPVsL_-e91lQt3lP2QkQMGy7DX8oY,1431
 mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py,sha256=X6FaYoiBTTp2PdL7cPPhMtwfXG8ehGrWd0-X6U__Wl8,769
-mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py,sha256=QIuERBo4EZ4RXqu77FlpRTSv9Y3T70v7URZpyir4lGA,4466
+mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py,sha256=9r2Da_c_i5Sv1bubhghKwOKRCdYmoT2y9Z6u_jLaqBo,4440
 mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py,sha256=43p81uGF6ukx1GXKQri3xN2P_dEeuyBy-5VqP5CTVvI,1562
 mat3ra/esse/models/properties_directory/scalar/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/properties_directory/scalar/electron_affinity.py,sha256=HJyKbpHcAMoAFPU3jrHOpsfj8D7Jx21IkIuRnrgP4To,622
@@ -294,7 +296,7 @@ mat3ra/esse/models/properties_directory/structural/elemental_ratio.py,sha256=r1g
 mat3ra/esse/models/properties_directory/structural/inchi.py,sha256=RMU7QAppnRAWi9Bp9FomCeBrP76dpcuGSEDeyuPmvnQ,366
 mat3ra/esse/models/properties_directory/structural/inchi_key.py,sha256=OIKG_dMUjGZRIR_mr4COIzIp8DifKFot2tddzOHj7ok,381
 mat3ra/esse/models/properties_directory/structural/magnetic_moments.py,sha256=o87VO7nbcDcSfzTyRQJ2EBLSGBzuvn_fdaT7wgy-co4,831
-mat3ra/esse/models/properties_directory/structural/molecular_pattern.py,sha256=k1dsJMyUgjhvNipxeNn_gtowve-4NqPf8qGkC4rcvks,1788
+mat3ra/esse/models/properties_directory/structural/molecular_pattern.py,sha256=74fVL0HoX16vPT7HuRnTeoT6q8ZplEnuXnbryYg82Yg,1784
 mat3ra/esse/models/properties_directory/structural/p_norm.py,sha256=SWf5UvIpQYCROs5GCuIapwYS56hjvsp4nfJCtvXkYyk,445
 mat3ra/esse/models/properties_directory/structural/symmetry.py,sha256=d23tkp6FprKPmA4DmzXNJZIyuInURwvX_VkeYYjyZ2k,840
 mat3ra/esse/models/properties_directory/structural/volume.py,sha256=0noCHB4lPoREDvidF8twHv5CB7LgIrt4XzS3Ynignfw,443
@@ -318,75 +320,76 @@ mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py,sha25
 mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=HBf5ck4XeCPa23KJhkT-Mgv2oslm8uTVq-toTlJzRjA,1316
 mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py,sha256=OXkcV81qbXdEVpm2l7ryITXlSg-E1vGhJdItDs1XO1w,915
 mat3ra/esse/models/property/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
-mat3ra/esse/models/property/base/__init__.py,sha256=4rLYGOExlG8WER1XONDynzObcHaN0bC3pHjrH0my_vU,5793
+mat3ra/esse/models/property/base/__init__.py,sha256=DUlRfAgAm8NPwxpfFNNgHLKEJKKSdVUxBFDVkSgq9ic,5004
 mat3ra/esse/models/property/base/The_source_of_a_property/__init__.py,sha256=LnfX1O6GvjMResoKUcZv0SLsbi3B1wmlbnbvNswBjhA,114
 mat3ra/esse/models/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=wB2GFlQY83tzQZ7j6lEz0Bs1NoAOyzwSqWgTJUZ63EM,826
-mat3ra/esse/models/property/meta/__init__.py,sha256=R8DQg2NtqOxJXNLMDSt0My9CCW-MdWBOIn8sPhYoePo,5786
+mat3ra/esse/models/property/meta/__init__.py,sha256=JCqoIdJmQ9KfnREGOEzlzoXnvy66TqckPSBZz5xKUtM,4997
 mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py,sha256=LnfX1O6GvjMResoKUcZv0SLsbi3B1wmlbnbvNswBjhA,114
 mat3ra/esse/models/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=_9p0aFUc-ixH-SbAUTT5RR8XpJPcbK-Szwr8qFV3Jcs,826
-mat3ra/esse/models/property/raw/__init__.py,sha256=irfMafvnrMBFNGgIRLePc2yG0T7ckgaAUjvO9y7Zx9A,5790
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 mat3ra/esse/models/property/raw/The_source_of_a_property/__init__.py,sha256=LnfX1O6GvjMResoKUcZv0SLsbi3B1wmlbnbvNswBjhA,114
 mat3ra/esse/models/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=wOmqyt14i4q7ss95MvuBhdosdq_-pRXTXMOgqRMuk3o,825
 mat3ra/esse/models/property/source/__init__.py,sha256=EJixEBrazelX8MdYfS19-BQd3SpNbEXp2-TQmOAv5Ck,3466
 mat3ra/esse/models/property/source/The_source_of_a_property/__init__.py,sha256=LnfX1O6GvjMResoKUcZv0SLsbi3B1wmlbnbvNswBjhA,114
 mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=eT8gJ30Pt3x0USQZjKLY2stQY0-ukT2KzAZY34Mfw7s,828
 mat3ra/esse/models/software/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
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 mat3ra/esse/models/software_directory/ml/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 mat3ra/esse/models/software_directory/ml/exabyteml.py,sha256=irQoNK13BVPAWalpDRgTrRkgFyyLTgxPCCDPXpfGxiM,582
 mat3ra/esse/models/software_directory/ml/unit/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
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 mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py,sha256=LnfX1O6GvjMResoKUcZv0SLsbi3B1wmlbnbvNswBjhA,114
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 mat3ra/esse/models/system/schema_version.py,sha256=N5kwK4P4pr-GawLWhRW3k5mEgJl1R6IAe06c9ClNdBE,365
@@ -413,22 +416,22 @@ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py,sh
 mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py,sha256=OZLBuLSR8-wExu00khtu7GsB034tI459u6CAh2fVvcc,15280
 mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py,sha256=xgwYpIDf16IThpO1mPlcEaes1IysDOC8L9VMz2jEBUo,1602
 mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py,sha256=Hvoa_h0aLIkLId9ef726g02abKiaZOUIEOQW1p5rFkw,34350
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 mat3ra/esse/models/workflow/unit/input/_input.py,sha256=pqhua0NEyQ2HPRIeeOasDM-N-K4rkR_3dzYDVKEBNz0,1189
 mat3ra/esse/models/workflow/unit/input/_inputItem.py,sha256=Y3kl0MndX1FFzRDhNJkmBq4ksmQTu_yWG6lgIqcGLLY,425
@@ -436,7 +439,7 @@ mat3ra/esse/models/workflow/unit/input/_inputItemId.py,sha256=fyL-WQMdDdjqcGEOxo
 mat3ra/esse/models/workflow/unit/input/_inputItemScope.py,sha256=PZuiLluyx-B1GZ96lHCGzqiXMhlBdIwbeacnChe71Q4,392
 mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py,sha256=A931w_MqyjNBYeR68UHUmqR5IgJEmrSsmqafXVuQzEc,469
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 mat3ra/esse/models/workflow/unit/io/api.py,sha256=CQFaW0ByLU4Fl8S78QmW61EAuihuQhL5ckt6WoDjotI,575
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 mat3ra/esse/models/workflow/unit/io/object_storage.py,sha256=b32TBfJWgSf91W7XkcSQo_8m_83BqEkylJazEtaIpn4,1465
@@ -446,8 +449,8 @@ 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
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{mat3ra_esse-2024.12.19.post0.dist-info → mat3ra_esse-2025.1.27.post0.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
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 Root-Is-Purelib: true
 Tag: py3-none-any