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Releases: materialsproject/emmet

v0.71.2

20 Oct 23:03
@munrojm munrojm
v0.71.2
24a74ea
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v0.71.2

Version 0.71.2

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v0.71.1

20 Oct 05:21
@munrojm munrojm
v0.71.1
24a74ea
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v0.71.1

Version 0.71.1

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v0.71.0

18 Oct 20:45
@munrojm munrojm
v0.71.0
b2cedcf
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v0.71.0

Update the elasticity and materials builders to work with root level transformation data

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v0.70.6

18 Oct 16:44
@munrojm munrojm
v0.70.6
203c29e
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v0.70.6

Version 0.70.6

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v0.70.5

18 Oct 00:00
@munrojm munrojm
v0.70.5
203c29e
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v0.70.5

Version 0.70.5

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v0.70.4

13 Oct 21:20
@munrojm munrojm
v0.70.4
aad9f2e
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v0.70.4

Version 0.70.4

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v0.70.3

13 Oct 20:25
@munrojm munrojm
v0.70.3
e05aec3
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v0.70.3

Version 0.70.3

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v0.70.2

13 Oct 20:04
@munrojm munrojm
v0.70.2
e05aec3
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v0.70.2

Version 0.70.2

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v0.70.1

13 Oct 00:55
@munrojm munrojm
v0.70.1
40145d3
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v0.70.1

Version 0.70.1

Commits

  • [40145d3] MoleculeMetadata set model config allow='extra' (#857)
  • [9e058e7] upgrade dependencies for deployment
  • [2f6119b] Automated dependency upgrades (#856)
  • [17568fe] expose x-consumer-id header in cors
  • [f1f48d2] upgrade dependencies for deployment
  • [0d4648c] Automated dependency upgrades (#855)
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v0.70.0

12 Oct 04:16
@munrojm munrojm
v0.70.0
92ea6fc
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v0.70.0

Version 0.70.0

Commits

  • [92ea6fc] Automated dependency upgrades (#854)
  • [475c79e] Fix TaskDoc.set_entry (#853)
  • [e363e07] Split ml deps into new option (#852)
  • [4f2d9a0] upgrade dependencies for deployment
  • [215a800] add asgi-logger
  • [81e94b2] upgrade dependencies for deployment
  • [cacb1ab] increase gunicorn timeout
  • [2054a3c] remove uvicorn-tschaume dependency
  • [f6d055e] print start up time
  • [64e627d] use uvicorn-tschaume in prod
  • [c01206d] upgrade dependencies for deployment
  • [8a4f74d] Automated dependency upgrades (#851)
  • [b2b1bb6] upgrade dependencies for deployment
  • [a12ee8d] Automated dependency upgrades (#850)
  • [bc020ee] upgrade dependencies for deployment
  • [a645914] bump python image 3.1010.13
  • [9514f7f] upgrade dependencies for deployment
  • [5e1a8aa] Automated dependency upgrades (#849)
  • [9b26ec9] Fix builder meta doc model
  • [c6bac74] Linting
  • [63e43d4] Add license query to summary
  • [3116ef4] Enable querying based on license data in builder meta (#848)
  • [c622d3d] Automated dependency upgrades (#846)
  • [f93864e] Linting
  • [1b36bf5] Skip qchem tests
  • [f40efa7] Remove pmg dep
  • [192cc04] Fix pmg dep
  • [654cf2f] Linting
  • [df70e27] Remove maggma test dependency
  • [fb4df61] Fix optional deps in emmet-core
  • [fa7d28e] Remove optional matcalc dep
  • [1aaebc3] Revert pip-tools backtrace setting
  • [57207e6] Update deps
  • [7a4818e] Remove backtrack resolver on dep wflow
  • [cccf977] Fix pymatgen breaking change: PotcarSingle.get_potcar_hash renamed to md5_header_hash (#839)
  • [5894bec] upgrade dependencies for deployment
  • [dc71e0b] Remove PyObject pydantic type from model type hints (#838)
  • [c2fad96] Small pydantic related bug fixes and linting (#836)
  • [dac2e71] Automated dependency upgrades (#835)
  • [992db50] Merge branch 'main' of https://github.com/materialsproject/emmet
  • [86da59b] Unpin setuptools_scm
  • [2541aa7] Automated dependency upgrades (#834)
  • [2769bca] Pydantic v2 (#790)
  • [699ec1d] Update matcalc dep
  • [ff4b452] Add MLBuilder and MLDoc to record machine learning property predictions (#806)
  • [e4bb49f] Automated dependency upgrades (#833)
  • [1f05511] Emmet core pmg pin
  • [497eccf] Update min python in setups
  • [c4ca07e] Update dep workflow
  • [b205100] Update minimum to py3.9
  • [2981d84] Pin pmg in api and linting
  • [4165586] Pin pmg in emmet-builders
  • [70d68bf] Pin pmg
  • [021a2f1] Pin pmg
  • [3316e33] upgrade dependencies for deployment
  • [8df1e35] bump python image 3.1010.11
  • [1fb2790] Automated dependency upgrades (#825)
  • [b66d24c] upgrade dependencies for deployment
  • [4634eac] Updated CHANGELOG.md
  • [1621ef0] Add is_hubbard and hubbards to entry.parameters (#824)
  • [6415b0a] deps: remove uvicorn
  • [7314427] upgrade dependencies for deployment
  • [64e50a5] Automated dependency upgrades (#823)
  • [22fe503] upgrade dependencies for deployment
  • [f2d1cfc] Several TaskDoc improvements (#794)
  • [e87ce3f] upgrade dependencies for deployment
  • [90e121d] upgrade dependencies for deployment
  • [757a3c3] Automated dependency upgrades (#821)
  • [be3396f] Updated CHANGELOG.md
  • [c0296c0] Remove chemsys cap in missing comp (#820)
  • [a4db875] Updated CHANGELOG.md
  • [8abee2a] Fix query in missing compositions (#819)
  • [60edf85] Updated CHANGELOG.md
  • [924170f] Fix missing compositions builder (#818)
  • [cdbe168] Updated CHANGELOG.md
  • [74b37b1] Fix deprecated tasks in deprecated materials (#817)
  • [b018680] bump python image 3.1010.10
  • [7f49a4a] upgrade dependencies for deployment
  • [93d406f] Automated dependency upgrades (#813)
  • [c41c2a8] Updated CHANGELOG.md
  • [464c38e] add a missing composition builder (#816)
  • [0bb9d3e] upgrade dependencies for deployment
  • [4f2c359] Updated CHANGELOG.md
  • [ec47998] Add conversion electrodes API (#814)
  • [8d5fc90] Updated CHANGELOG.md
  • [80b09f7] Combine atomate2 vasp calc types (#764)
  • [b4a864b] upgrade dependencies for deployment
  • [7b2fe70] Updated CHANGELOG.md
  • [1f1d7cb] Revert enum exclusion from git (#810)
  • [dda0684] Updated CHANGELOG.md
  • [f75f0cd] Clear band structure data incrementally (#807)
  • [518a78c] upgrade dependencies for deployment
  • [7c761bf] Automated dependency upgrades (#809)
  • [69cfa04] Automated dependency upgrades (#808)
  • [68b60b4] Pin pymatgen in emmet-builders
  • [a265604] bump python image 3.1010.8
  • [5f3a289] upgrade dependencies for deployment
  • [0e59220] Automated dependency upgrades (#805)
  • [2eb40fa] remove macos-latest
  • [2cbdf29] Updated CHANGELOG.md
  • [622660c] Bump api timeout
  • [6b2c77f] Ensure open data requests are unsigned (#804)
  • [de71203] Updated CHANGELOG.md
  • [7a3548b] Bump robocrys version (#803)
  • [2c84558] api: rm legacy_resources.py copy
  • [9e9e8c2] upgrade dependencies for deployment
  • [677286d] Automated dependency upgrades (#801)
  • [b9088c4] Updated CHANGELOG.md
  • [4789aa4] Change molecules legacy endpoint (#802)
  • [41d03b3] upgrade dependencies for deployment
  • [12b76b2] upgrade dependencies for deployment
  • [a50b7f8] Automated dependency upgrades (#796)
  • [4ba058a] upgrade dependencies for deployment
  • [af8d12e] Updated CHANGELOG.md
  • [4e51d96] Fix molecules hint scheme (#775)
  • [bb905f0] Automated dependency upgrades (#793)
  • [64bb246] upgrade dependencies for deployment
  • [b742e34] upgrade dependencies for deployment
  • [cfbe07b] upgrade dependencies for deployment
  • [32c95a8] Automated dependency upgrades (#792)
  • [9e9ab1f] Merge pull request #791 from materialsproject/ci-run-tests-on-mypy-error
  • [11718da] Updated CHANGELOG.md
  • [b4352d0] Updated CHANGELOG.md
  • [ef39120] add comment explaining if: always()
  • [0e5131f] switch conda setup to 1st party conda-incubator/setup-miniconda@v2
  • [eae365b] CI run pytest on mypy error
  • [e1d4cf1] Automated dependency upgrades (#789)
  • [375724e] Updated CHANGELOG.md
  • [9ee3f44] Conversion electrode builder query fix (#786)
  • [5cdb2f8] Pull initial keys from thermo in alloys (#787)
  • [8d76082] Small fixes for TaskDoc (#785)
  • [3ab41bb] upgrade dependencies for deployment
  • [e1319ef] Automated dependency upgrades (#784)
  • [0254a13] Updated CHANGELOG.md
  • [b228bc4] Don't calculate band properties if LORBIT < 11 (#783)
  • [900e3f2] upgrade dependencies for deployment
  • [5270367] upgrade dependencies for deployment
  • [c10464f] Automated dependency upgrades (#778)
  • [e5748a2] Updated CHANGELOG.md
  • [424deb5] Fix thermo material_id treatment in alloys (#780)
  • [bd93205] Electronic structure bug fixes (#779)
  • [d6b9d1e] upgrade dependencies for deployment
  • [341b033] upgrade dependencies for deployment
  • [316afa6] Automated dependency upgrades (#776)
  • [443160d] Updated CHANGELOG.md
  • [d1c0a90] Add sorting to messages api endpoint (#774)
  • [4ebb0d6] bump python image 3.1010.7
  • [7869b72] upgrade dependencies for deployment
  • [8b13c36] Automated dependency upgrades (#773)
  • [3d73236] Automated dependency upgrades (#771)
  • [4adc9c0] Updated CHANGELOG.md
  • [f5f855e] Pin pydantic (#770)
  • [b96e6a7] upgrade dependencies for deployment
  • [97119a6] upgrade dependencies for deployment
  • [7a971a4] Automated dependency upgrades (#766)
  • [a7bf5a1] Updated CHANGELOG.md
  • [c203d4b] Add AWS open data to ES builder (#756)
  • [b34aad0] Merge pull request #765 from materialsproject/cli_updates
  • [bdf1825] Fix for revision plus linting
  • [71cc657] Setting default task_id to anything less than 7 digits could result in task documents being overwritten in the test collection
  • [e982352] Setting next task_id to 1000001 not necessary
  • [fb47700] Add catch for parsing task documents into empty collections
  • [1cfc36b] Pymongo collection.ensure_index() deprecated in pymongo>=4.0, new function is collection.create_index()
  • [058aec5] cli: fix client var
  • [91ee6a4] cli: only check pattern if not reorg
  • [74e085c] cli: remove auto-yes
  • [063423f] Add patch resource (#761)
  • [07a915e] Automated dependency upgrades (#763)
  • [60e9697] upgrade dependencies for deployment
  • [c4580e2] upgrade dependencies for deployment
  • [cd8ab07] Automated dependency upgrades (#762)
  • [9b04651] Updated CHANGELOG.md
  • [edb9806] Ensure openbabel can stay an optional dep (#760)
  • [8de3751] upgrade dependencies for deployment
  • [257d702] disable MAX_REQUESTS/_JITTER
  • [7581a8d] Automated dependency upgrades (#759)
  • [3318bed] upgrade dependencies for deployment
  • [2d6d321] Updated CHANGELOG.md
  • [0083142] bump pymatgen to >=2023.5.8 (#758)
  • [88445cf] Updated CHANGELOG.md
  • [1774f3c] Metal binding data, trajectories, and the start of stereochemistry (#706)
  • [c7ae50e] upgrade dependencies for deployment
  • [7c9cffa] Automated dependency upgrades (#755)
  • [a74aa1d] Updated CHANGELOG.md
  • [8da9da4] Fix messages endpoint params (#754)
  • [68aba26] Updated CHANGELOG.md
  • [b253044] Add generic messages endpoint (#753)
  • [3aefb7a] upgrade dependencies for deployment
  • [06d1bb2] Automated dependency upgrades (#752)
  • [e6f907e] Automated dependency upgrades (#751)
  • [ebf884d] upgrade dependencies for deployment
  • [c1d2d3b] Updated CHANGELOG.md
  • [e4ec106] Fix task_id type in elasticity (#749)
  • [5a06cc2] Merge pull request #747 from blokhin/patch-1
  • [474e6fb] Add more info about the Optimade support
  • [659afe5] Ensure chemenv and absorption is incorporated into summary (#712)
  • [aa664e4] increase max requests/jitter
  • [de879bc] upgrade dependencies for deployment
  • [a0eb759] Automated dependency upgrades (#746)
  • [ea58b96] upgrade dependencies for deployment
  • [d0f1b52] bump python image 3.1010.4
  • [8a164f7] upgrade dependencies for deployment
  • [5e5c1f7] bump python image 3.1010.3
  • [a5133e3] Automated dependency upgrades (#744)
  • [e745ff0] Updated CHANGELOG.md
  • [1916a9c] fix formula_double_format() return type change str -> float (#745)
  • [24fcf8b] Automated dependency upgrades (#743)
  • [504838a] upgrade dependencies for deployment
  • [4c8bfcd] upgrade dependencies for deployment
  • [631...
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