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Update to Pydantic v2#567

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Merged

janosh merged 42 commits intomaterialsproject:mainmaterialsproject/atomate2:mainfrom hrushikesh-s:pydantic2hrushikesh-s/atomate2:pydantic2Copy head branch name to clipboardOct 14, 2023

+192-191

Commits

Commits on Oct 2, 2023

• Update to pydantic2

  utf

  committed
  4c27a8a

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• Merge branch 'main' into pydantic2

  janosh

  committed
  c1d98d8

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Commits on Oct 6, 2023

• bump pymatgen and emmet-core

  janosh

  committed
  76bf41e

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• fix NameError: Fields must not use names with leading underscores; e.g., use 'schema' instead of '_schema'.

  janosh

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  7f924fc

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• fix cp2k tests ImportError: cannot import name 'datetime' from 'pydantic.datetime_parse'

  janosh

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Commits on Oct 7, 2023

• del blank lines at end of doc strings

  janosh

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Commits on Oct 9, 2023

• fix forcefields/test_jobs.py expected output1.output.energy

  janosh

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  c3285f9

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• fix pydantic v2 breaking change: make schema fields explicitly optional

  janosh

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  083e882

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• fix typo: popp to pop

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  janosh

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• snake_case test names

  janosh

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• fix CalculationInput first method arg should be named self, not cls

  janosh

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  1d763c8

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• make schema fields explicitly Optional, using @field_validator instead of depricated @validator

  hrushikesh-s

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• testing.yml add workflow_dispatch trigger, remove branches: [main] filter

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  janosh

  committed
  12eacf0

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• Merge branch 'materialsproject:pydantic2' into pydantic2

  hrushikesh-s

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• changing cls to self

  hrushikesh-s

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• testing.yml drop branches: [main] from PR trigger

  janosh

  committed
  5fc8ad7

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• Merge branch 'materialsproject:pydantic2' into pydantic2

  hrushikesh-s

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• replace @validator to @field_validator

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  hrushikesh-s

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• more fixes

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  hrushikesh-s

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• loosening the energy assertion

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  hrushikesh-s

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• more fixes

  hrushikesh-s

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• fixing test_lobster.py

  hrushikesh-s

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• fixes

  hrushikesh-s

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Commits on Oct 10, 2023

• Merge pull request materialsproject#558 from hrushikesh-s/pydantic2

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  janosh

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Commits on Oct 11, 2023

• skip validate charge test

  jmmshn

  committed
  c9be311

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• fix doc str typo

  janosh

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  dee2f20

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• Merge pull request materialsproject#563 from jmmshn/pydantic2

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  janosh

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Commits on Oct 12, 2023

• bump min emmet-core to 0.70.0

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  janosh

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• bump min chgnet to v0.2.2 to fix spurious dependency resolution conflict

  janosh

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  c55b52b

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• bump min pymatgen to 2023.10.4

  janosh

  committed
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• bump mp-api==0.37.5

  janosh

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  b5b9a2d

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• fix deprecated TaskDocument.(copy->model_copy)

  janosh

  committed
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• bump lobsterpy==0.3.2 and fix TypeError: Analysis.__init__() got an unexpected keyword argument 'whichbonds'

  janosh

  committed
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• downgrading chgnet & matgl

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  hrushikesh-s

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  a53f949

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• Merge pull request materialsproject#565 from hrushikesh-s/pydantic2

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  janosh

  authored
  3f496a9

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• Merge branch 'main' into pydantic2

  janosh

  authored
  a5efa2e

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• bug fix

  hrushikesh-s

  committed
  8909a14

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• fix

  hrushikesh-s

  committed
  3280cba

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• cclib TaskDocument(MoleculeMetadata) set extra="allow"

  janosh

  committed
  85fefee

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Commits on Oct 13, 2023

• Merge branch 'main' into pydantic2

  Zhuoying

  authored
  12f88f0

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• Merge branch 'pydantic2' into pydantic2

  Zhuoying

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Commits on Oct 14, 2023

• Merge branch 'main' into pydantic2

  Zhuoying

  authored
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