emmet-core 0.84.8

v0.84.8

on Python PyPI

Version 0.84.8

Commits

• [4bb6f72] Fix TaskDoc bugs in latest emmet-core (#1250)
• [076a086] Merge pull request #1246 from materialsproject/emmet-type-annotations-updates
• [3a913e4] fixup mypy directive formatting error
• [b763c1a] pre-commit
• [050eacd] bump black-jupyter rev# in pre-commit conf
• [c9f79d6] Updated CHANGELOG.md
• [8b2574a] upgrade dependencies for deployment
• [96bc8bb] Automated dependency upgrades (#1247)
• [41ab593] doc is read-only for 'types.GenericAlias'
• [77a8c77] update typing annotations to >3.10 convention
• [bcc362a] make all datetime factories consistent to use utcnow func in utils
• [fb4fa77] upgrade dependencies for deployment
• [bca95f1] Automated dependency upgrades (#1241)
• [54b1b43] Updated CHANGELOG.md
• [d0d3100] Merge pull request #1240 from materialsproject/ph2
• [27895a8] mypy
• [ab40a09] add complete phonon dos option and band structure symm line conversion
• [8d744f6] patch phonon test (quantites typo)
• [bf7501d] bump python base image to 3.1112.1
• [a696040] upgrade dependencies for deployment
• [ae3b419] Updated CHANGELOG.md
• [981834f] Automated dependency upgrades (#1238)
• [3d1257b] fix typo, lint
• [49beb39] phonon: method and other queries
• [56382c7] fix mypy issues (#1237)
• [5794c3d] connect to new phonon collection
• [194d3b8] upgrade dependencies for deployment
• [b8040c7] Updated CHANGELOG.md
• [bc73f25] Automated dependency upgrades (#1236)
• [b8f42a2] test with 3.11/3.12
• [074cd61] Merge pull request #1231 from materialsproject/phonon
• [4e069ff] set pa to None on ImportError
• [6289946] Merge branch 'main' into phonon
• [764a534] bump python base image to 3.1112.0
• [bffd821] upgrade dependencies for deployment
• [2d9e2cb] Automated dependency upgrades (#1235)
• [904c7f4] rm py3.10 dep files
• [1c28b0d] bump python in upgrade deps
• [45c8718] add basic phonon doc tests
• [8cc087e] migrate class constructor to from_structure
• [2f78c9a] tweak from_directory parsing, add from files
• [46a1df4] first pass phonon parsing from directory
• [09a77d7] added the from_directory method
• [483aecc] fix phonon property to ensure model dump works, add fields for phonon bs dos doc
• [fa787dd] typo
• [3249fee] initial draft complete revision
• [4c5fe0c] migration for atomate2 phonon doc
• [51f7661] precommit
• [864a7ee] add parquet
• [941412c] move thermo quantities to computed properties
• [43af78f] full draft phonon schemas
• [c003c5b] start phonon doc schema update
• [978c5fb] bump python base image to 3.1111.1
• [37ce757] upgrade dependencies for deployment
• [0b5e906] Automated dependency upgrades (#1227)
• [921f0da] Bump codecov/codecov-action from 5.4.2 to 5.4.3
• [f1f38ad] upgrade dependencies for deployment
• [850e308] Bump codecov/codecov-action from 5.4.0 to 5.4.2
• [c079253] upgrade dependencies for deployment
• [2a4e057] updates to use FileMetadata in discovery (and add lazy md5 calculation) (#1228)
• [0e48a47] upgrade dependencies for deployment
• [3390243] upgrade dependencies for deployment
• [0ca5e7c] Automated dependency upgrades (#1224)
• [2aa5527] Update VASP file discovery (#1223)
• [072e0af] upgrade dependencies for deployment
• [1b3b8ca] upgrade dependencies for deployment
• [1606088] upgrade dependencies for deployment
• [fd55f68] Automated dependency upgrades (#1221)
• [3b093d0] upgrade dependencies for deployment
• [682277d] Define machine learning / MatPES schemas (#1222)
• [d55444f] upgrade dependencies for deployment
• [443ca65] Updated CHANGELOG.md
• [3997b32] Merge pull request #1218 from materialsproject/auto-dependency-upgrades
• [b3807d3] update dependencies for emmet-core (ubuntu-latest/py3.11)
• [9e672a9] update dependencies for emmet-core (ubuntu-latest/py3.10)
• [2458a09] update dependencies for emmet-builders (ubuntu-latest/py3.11)
• [8873044] update dependencies for emmet-builders (ubuntu-latest/py3.10)
• [8cb6881] update dependencies for emmet-api (ubuntu-latest/py3.11)
• [f54333b] update dependencies for emmet-api (ubuntu-latest/py3.10)
• [ede15ac] Updated CHANGELOG.md
• [87316d4] Tweak potcar validation (#1220)
• [2c3cf81] add transport-analysis as optional dependency
• [7d6cea7] upgrade dependencies for deployment
• [8cbc716] Merge pull request #1206 from esoteric-ephemera/parqtraj
• [609fd24] release pmg upper pin
• [c0b077c] Updated CHANGELOG.md
• [993bbd5] Merge pull request #1213 from materialsproject/auto-dependency-upgrades
• [ae9d417] make mpid optional for pydantic models + documental model methods
• [d0bb40d] Merge branch 'main' into auto-dependency-upgrades
• [c60008e] update imports for matcalc
• [5c2afb9] Merge pull request #1209 from mkhorton/patch-4
• [cf63c03] upgrade dependencies for deployment
• [2345587] update dependencies for emmet-core (ubuntu-latest/py3.11)
• [491548f] update dependencies for emmet-core (ubuntu-latest/py3.10)
• [ae2ffb5] update dependencies for emmet-builders (ubuntu-latest/py3.11)
• [2838edf] update dependencies for emmet-builders (ubuntu-latest/py3.10)
• [b8d009a] update dependencies for emmet-api (ubuntu-latest/py3.11)
• [e5f820e] update dependencies for emmet-api (ubuntu-latest/py3.10)
• [88e32cc] Merge pull request #1210 from ktns/fix/syntaxwarning/invalid_escape_sequences
• [8757606] upgrade dependencies for deployment
• [ff2382a] Automated dependency upgrades (#1212)
• [db0af45] Fix SyntaxWarning: invalid escape sequence '\D'
• [8ed147a] remove emmet-core from requirements
• [c371eb3] missing unpin in setup
• [58c5b0d] see if releasing pymatgen pin breaks ci for electronic structure / dos bandgaps, add approx to tests
• [242959a] Project run_type to ensure entries field is correctly constructed
• [d522ea4] mypy fixes
• [8a56542] ensure identifier is only set if not null
• [7829952] Add identifier / extraction by ID to trajectory
• [8603a26] revise to use default pyarrow compression
• [9585150] add pyarrow to extras
• [50548b3] mypy fixes
• [5b17e68] precommit + docstr
• [efecbce] add tests for trajectory including round trip
• [d0d58bf] remove original POTCAR from tests
• [5704a1b] Add trajectory class to adapt between parquet, pymatgen, and ase trajectory standards
• [ab1e34a] upgrade dependencies for deployment
• [393385e] Automated dependency upgrades (#1208)
• [3062789] upgrade dependencies for deployment
• [a0b2780] upgrade dependencies for deployment
• [f884717] Automated dependency upgrades (#1204)
• [7a1d1e4] Updated CHANGELOG.md
• [a2417aa] fix LDA pseudo parsing + parsing of functional names
• [ad7bf58] upgrade dependencies for deployment
• [947ecc8] upgrade dependencies for deployment
• [ea7d0f6] bump python base image to 3.1111.0
• [4733504] Automated dependency upgrades (#1201)
• [be1a58b] Bump codecov/codecov-action from 5.3.1 to 5.4.0
• [06d09e9] upgrade dependencies for deployment
• [b4aa8d3] upgrade dependencies for deployment
• [e6f7942] bump python base image to 3.1110.8
• [4cb085d] upgrade dependencies for deployment
• [8dc33da] Automated dependency upgrades (#1200)
• [581f72d] upgrade dependencies for deployment
• [96fc8d6] upgrade dependencies for deployment
• [ab329de] Automated dependency upgrades (#1198)
• [222bc19] Updated CHANGELOG.md
• [0f38db7] re-add docstring notes re: atomate2
• [4b20351] Revert "update elasticity builder asserts"
• [e9f8e88] Revert "Remove unnecessary indepencence checking (#767)"
• [96b4e93] upgrade dependencies for deployment
• [89a32ed] upgrade dependencies for deployment
• [68f8c0e] Automated dependency upgrades (#1197)
• [f4a8271] ddtrace<3
• [d0e8e98] bump python base image to 3.1110.7
• [e4cdcc8] upgrade dependencies for deployment
• [98ac15c] Automated dependency upgrades (#1191)
• [33a0354] Merge pull request #1194 from esoteric-ephemera/ci_fix
• [afc7495] add upper version pin to pmg in setup
• [6018aa7] pin pymatgen in requirements
• [62141fe] unrelease version pin on openff
• [9cba8ea] unrelease version pin on openff
• [3cb6140] temp version pin on openff ci install, explicit conda-forge channel
• [e9069e5] bump down codecov to see if it fixes ci
• [38d582a] unpin numpy
• [587768c] bump minimum python to 3.10
• [c88809f] upgrade dependencies for deployment
• [9651ac2] upgrade dependencies for deployment
• [d8e8806] Automated dependency upgrades (#1189)
• [16b89c4] Updated CHANGELOG.md
• [8720adb] allow BlessedCalcs model to be populated by name
• [e55efbc] upgrade dependencies for deployment
• [fa089be] Automated dependency upgrades (#1187)
• [cfdbbdc] upgrade dependencies for deployment
• [ca74862] Automated dependency upgrades (#1181)
• [d0cd212] Bump codecov/codecov-action from 5.1.2 to 5.3.1
• [8204967] upgrade dependencies for deployment
• [2508b7b] upgrade dependencies for deployment
• [0f4432a] Merge pull request #1185 from esoteric-ephemera/api
• [9f5a0ef] temporarily bump down pymatgen req - something broken?
• [1e981e4] make mypy happy in api query
• [f44f0fe] update composition stub model to use RootModel
• [ddb895e] upgrade dependencies for deployment
• [ac9a277] upgrade dependencies for deployment
• [96361e4] Automated dependency upgrades (#1179)
• [2746902] api healthcheck
• [200c970] Merge pull request #1176 from esoteric-ephemera/xas_part_2
• [851e939] upgrade dependencies for deployment
• [4e905de] Automated dependency upgrades (#1175)
• [6154b1c] Update xas doc to reflect pymatgen change
• [a1b5ff2] upgrade dependencies for deployment
• [e0edac6] bump python base image to 3.1110.6
• [03e357a] upgrade dependencies for deployment
• [383b389] Automated dependency upgrades (#1172)
• [8dfd66f] remove unnecessary 'dielectric' field
• [c7d7e19] upgrade dependencies for deployment
• [16a20ee] Updated CHANGELOG.md
• [a294022] update es tests to pass meta_structure explicitly
• [32a4668] set summary magnetic ordering on electronic structure docs using provided meta_structure
• [943574d] Merge pull request #1167 from esoteric-ephemera/run_stats
• [84d4b22] add missing pytest.approx in structure metadata tests
• [bedc6ad] review comments
• [2b579f8] change typing of run_stats to mapping
• [17c3cd7] add test for non-zero run stats
• [649cd03] add test for correct population of num electronic steps
• [a2d2ee7] fix OutputDoc force unit
• [b5bbe47] bump gcc/g++ compiler for phonopy dependence because gcc/g++-10 gone from gh actions
• [38ac437] tweak test actions
• [d75628b] remove double list addition to pcm and cds forces in molecules forces doc
• [64c4679] ruffing
• [53aa3a0] add number of electronic steps per ionic step to TaskDoc, try to resolve various mypy issues
• [12d633c] attempt to fix molecule trajectory default args
• [7f0f629] Fix all model fields where default was None but field was non-optional ; fix molecule trajectory list indexing with optional args
• [89a6bfe] lint
• [5b826f1] correct typing of TaskDoc.run_stats
• [7683b00] upgrade dependencies for deployment
• [e423fc8] Automated dependency upgrades (#1170)
• [0fcdf76] bump python base image to 3.1110.5
• [b8d8222] remove deprecated object endpoints
• [dc4d706] upgrade dependencies for deployment
• [e05a8c6] Automated dependency upgrades (#1169)
• [f813b48] Automated dependency upgrades (#1163)
• [bad15cf] Bump codecov/codecov-action from 5.1.1 to 5.1.2
• [610e09b] upgrade dependencies for deployment
• [a8dbfcb] upgrade dependencies for deployment
• [420c09d] upgrade dependencies for deployment
• [d00e50b] also check authenticated groups
• [3f111ba] upgrade dependencies for deployment
• [fc14565] Automated dependency upgrades (#1162)
• [5de8589] Updated CHANGELOG.md
• [c95e4e1] ignore type
• [0e9e0ae] fix mypy error
• [b0718f8] Updated CHANGELOG.md
• [3be8a24] add batch_id_{eq_any,neq_any}
• [136514f] upgrade dependencies for deployment
• [6ea7081] Updated CHANGELOG.md
• [cd37f09] Automated dependency upgrades (#1161)
• [3837454] Configure query on request (#1073)
• [7b8181e] upgrade dependencies for deployment
• [a24be8a] Automated dependency upgrades (#1160)
• [d5bbe3a] Updated CHANGELOG.md
• [54cbd4d] BatchIdQuery
• [237d2b7] add 'batch_id' as an optional field for EmmetMeta
• [5f469c7] upgrade dependencies for deployment
• [2e8d631] Automated dependency upgrades (#1159)
• [c533f9a] bump python base image to 3.1110.4
• [bbc421d] Automated dependency upgrades (#1157)
• [4a53340] upgrade dependencies for deployment
• [cce841e] Updated CHANGELOG.md
• [2b5e316] Update release.yml
• [815df9e] Update release.yml
• [48777f1] Update release.yml
• [03a358b] separate tasks cluster, new env var names
• [2850ad9] upgrade dependencies for deployment
• [3248b93] Automated dependency upgrades (#1155)
• [d44bd19] Bump codecov/codecov-action from 5.0.7 to 5.1.1
• [97801d0] upgrade dependencies for deployment
• [2cec897] upgrade dependencies for deployment
• [29dbf99] Automated dependency upgrades (#1154)
• [bbccfa9] upgrade dependencies for deployment
• [f5f39fb] bump python base image to 3.1110.3
• [6723cb3] upgrade dependencies for deployment
• [822b544] Automated dependency upgrades (#1153)
• [068bcf1] Updated CHANGELOG.md
• [de61291] Update release.yml
• [3cf8894] Automated dependency upgrades (#1143)
• [9fb8e9e] bump python and force upgrade for build tools
• [3e903a4] make sure test file is added
• [d059931] pcmt
• [b3d7eb8] modify xas doc to handle non-positive frequencies and avoid pmg exception on serialization ; add test
• [5a302ed] Bump codecov/codecov-action from 4.6.0 to 5.0.7 (#1147)
• [faf1592] Merge pull request #1151 from Andrew-S-Rosen/patch-3
• [3830db0] upgrade dependencies for deployment
• [522c17c] Update structure.py
• [cbcb044] Make species hash and coord hash optional in MoleculeMetadata
• [a705a61] upgrade dependencies for deployment
• [b455326] Updated CHANGELOG.md
• [622f2e3] expand run type check to include r2SCAN entries
• [4a4b214] upgrade dependencies for deployment
• [0803819] upgrade dependencies for deployment
• [552b193] Automated dependency upgrades (#1142)
• [b8a3e45] upgrade dependencies for deployment
• [ce3e927] use cors when not debugging
• [644b137] upgrade dependencies for deployment
• [947ca5b] Automated dependency upgrades (#1140)
• [349d5a8] Merge pull request #1141 from materialsproject/fix-pymatgen-defects-dep
• [fee8b49] update pymatgen dependency
• [4a2b8a8] upgrade dependencies for deployment
• [8277549] upgrade dependencies for deployment
• [497982d] Automated dependency upgrades (#1139)
• [0fdcf93] upgrade dependencies for deployment
• [7e0ad85] rename old molecules collection
• [f293106] upgrade dependencies for deployment
• [284447b] Automated dependency upgrades (#1138)
• [c27f089] switch to python 3.11
• [d52f585] upgrade dependencies for deployment
• [fc047ec] upgrade dependencies for deployment
• [b77ffb2] Automated dependency upgrades (#1136)
• [5583fee] upgrade dependencies for deployment
• [bf083e8] Updated CHANGELOG.md
• [53812e2] upgrade dependencies for deployment
• [2cb04e7] Automated dependency upgrades (#1134)
• [b3ae6de] Revert "Revert "new mongo host env var""
• [213c131] Revert "Reverting MPCules PR #926 (#1106)"
• [2c676b5] lift pymongo limit
• [2c644d6] upgrade dependencies for deployment
• [19d1131] Automated dependency upgrades (#1132)
• [14a5e4b] Automated dependency upgrades (#1130)
• [6745947] [automated commit] update calc type enums
• [42606d4] Merge pull request #1105 from yanghan234/hanyang/gw-runtypes
• [6fe3a88] temporarily disable enum check to run tests - manually checked enum generation
• [1f77209] update bot actions to auto-push to pr branch
• [aa56889] Merge remote-tracking branch 'upstream/main' into hanyang/gw-runtypes
• [2a12298] Merge pull request #1129 from esoteric-ephemera/ci_fork
• [0bcfd11] one more missing spot for checking out pr fork
• [598f7d7] try to get ci enum gen to run on fork
• [ca9b79a] update default value for ALGO
• [6836517] Updated CHANGELOG.md
• [8fe5e2b] Merge pull request #1124 from mkhorton/patch-2
• [6c3fef0] Merge pull request #1128 from esoteric-ephemera/fix-task-type
• [48a4fe2] add fix to TaskDoc.task_type
• [30d887f] Bump codecov/codecov-action from 4.5.0 to 4.6.0
• [c3f7e4f] Automated dependency upgrades (#1120)
• [a26f569] upgrade dependencies for deployment
• [e4f95ed] Fixup for typo
• [d6ca35f] Fixup for typo
• [4c37db6] Allow TaskDoc.tags to be None
• [306171b] update the utils functions to identify run and task types for gw calculations
• [269b4b5] update the run and task types for gw calculations; update the generated enums accordingly
• [d904f3a] update the method to deal with empty contcar of gw calculation
• [8c037bb] Merge pull request #1122 from DanielYang59/replace-depre-gb
• [e4ccb1a] replace relocated GB
• [96ad05a] typo
• [5eeeae6] pre-commit
• [c943615] Lint with black
• [aeddcdd] Set angle_tolerance explicitly
• [692f977] Add minimum pymatgen version
• [9132b90] Improve error handling in SymmetryData
• [64ad4f2] add pydantic ConfigDicts to models using deprecated or incorrect allow extra behavior
• [297fe0c] upgrade dependencies for deployment
• [8ece13e] disable ddtrace for now, linting
• [beeedab] update elasticity builder asserts
• [ba10e45] DD env vars in Dockerfile
• [88c6a94] bump max_length for elements up to 60
• [8e0879c] bring run_stats in as root level field
• [1d48781] add check for potcar test to be skipped if no POTCAR library available
• [b00b998] add completed_at field to TaskDoc
• [de70eb1] upgrade dependencies for deployment
• [31be2ed] Automated dependency upgrades (#1115)
• [e64b143] try pymongo<4.9 for dd-trace-py
• [b6fa2fe] upgrade dependencies for deployment
• [aee7fb2] Automated dependency upgrades (#1114)
• [aedab1a] pymongo<4.9.1 due to dd-trace-py incompat
• [024932d] Updated CHANGELOG.md
• [26be1b9] update "R2SCAN" to "r2SCAN" to match enum convention
• [00b5fcf] upgrade dependencies for deployment
• [6de3edb] Automated dependency upgrades (#1113)
• [3a15f68] bump python:3.1015.1
• [e52f543] upgrade dependencies for deployment
• [c8026a8] Automated dependency upgrades (#1111)
• [e2f1e4e] upgrade dependencies for deployment
• [fdec474] Updated CHANGELOG.md
• [dead5b5] linting
• [d19188a] Merge pull request #1110 from orionarcher/11th_hour_renaming
• [66cbfa7] Change name of interchange_meta -> mol_specs and add structure to MDTaskDocument.
• [246b478] upgrade dependencies for deployment
• [b4474d9] Automated dependency upgrades (#1109)
• [42494fe] Updated CHANGELOG.md
• [fbfb7e7] [automated commit] update calc type enums
• [2fe0663] make calc type enums IgnoreCase
• [bc9785e] Revert "new mongo host env var"
• [3afe98b] upgrade dependencies for deployment
• [6eda7b7] Automated dependency upgrades (#1107)
• [1e5007b] Updated CHANGELOG.md
• [1dffb90] Reverting MPCules PR #926 (#1106)
• [085254c] Updated CHANGELOG.md
• [0a8792a] Replace | with Union (#1103)
• [9db67da] Remove unnecessary indepencence checking (#767)
• [6678a36] modified Calculation class to deal with empty CONTCAR
• [10e16a6] added gw types
• [7c46d98] correct check for expected value when nothing to commit
• [a5c9661] [automated commit] update calc type enums
• [a51f2a5] update stored potcar stats to match updated enum conventions
• [b1c22e3] update core + tests to match updated enum vals
• [9cebf8e] update actions
• [abe2c01] upgrade dependencies
• [b01292f] refactor vasp enum generation
• [12a415d] check changes after pre-commit
• [1f6caf6] testing action: add code to generate enums
• [e3122eb] latest qchem/vasp enums
• [25aab85] bump to python 3.1015.0
• [6301bb2] upgrade dependencies for deployment
• [f92827c] Automated dependency upgrades (#1100)
• [a917fc1] upgrade dependencies for deployment
• [a6c86e0] mypy
• [f51f71f] rm mineral matcher import
• [5c26dd0] precommit
• [e4cc326] improve exception handling in robocrys
• [ae413bb] move imports into robocrys func
• [70414bb] move robocrys class + obj init's to convenience util func
• [c3c62e7] skip breaking mobility graph tests for now
• [6af6feb] dict -> Dict
• [d235cc3] force dynamic enum generation for emmet-core
• [1d490e0] Automated dependency upgrades (#1096)
• [436566d] Automated dependency upgrades (#1090)
• [5e94216] add TODO for molecules hints
• [ffbbadf] cleanup testing.yml
• [05f9dc0] linting for qchem
• [530ec4f] regenerate qchem enums
• [7f1d9af] add qchem enums back to vcs
• [3b1060f] Merge pull request #1087 from orionarcher/md_core
• [a1ede7c] Merge branch 'main' into md_core
• [0aeacc9] Improve documentation of CompressedStr
• [2252a3c] Improve documentation of CompressedStr
• [aa8d2bd] Delete classical_md folder
• [3b414c6] fix logic bug in batch_id validatoin
• [8db3189] upgrade dependencies for deployment
• [8977964] Multiple WIP changes to change HexBytes to CompressedStr
• [d4c5214] pin dgl for ml reqs, re pip-compile
• [5926ec1] Add docstring to calculations doc, clean up in line descriptions.
• [2277660] re pip-compile
• [bb75a08] rm py3.9 reqs file
• [64d05dc] Respond to tsmathis review
• [16f1b44] fixup! Refactor the dependencies and CI for emmet-core to include MD-related dependencies and allow installation from conda-forge.
• [3029fd4] Fix linting error in molecules api code.
• [26cd281] Add testing for calc output from directory and related test files.
• [8e94763] Refactor the dependencies and CI for emmet-core to include MD-related dependencies and allow installation from conda-forge.
• [4e298b0] Create a solvation task document to be output by a solvation builder.
• [721ec22] Create a benchmarking task document to be output by a benchmarking builder.
• [45baaf0] Create a calculations task document to organize the outputs of openmm workflows.
• [9b77213] Refine and organize the core schema for the openmm and openff atomate2 workflows
• [d826c29] remove redundant deprecation query for molecules
• [87dc6ce] new mongo host env var
• [ef61974] bump python 3.1013.18
• [0fcf32e] upgrade dependencies for deployment
• [738d99b] Automated dependency upgrades (#1086)
• [0c0942a] Updated CHANGELOG.md
• [69adac5] Merge pull request #926 from espottesmith/query_restructure
• [1ddb41c] Merge branch 'main' into espottesmith_query_restructure
• [7ded807] add missing mypy directives
• [5c7c73a] Merge branch 'main' into espottesmith_query_restructure
• [25373cd] Bump the pip group across 2 directories with 1 update
• [90ea57b] Bump cryptography
• [34e8cf8] upgrade dependencies for deployment
• [d738a7e] Automated dependency upgrades (#1082)
• [b85b06e] upgrade dependencies for deployment
• [9fde539] implement abstract method in maggma
• [425c808] upgrade dependencies for deployment
• [77dbfa2] Automated dependency upgrades (#1080)
• [ae84809] Automated dependency upgrades (#1079)
• [f17a0b3] upgrade dependencies for deployment
• [eefeeac] Automated dependency upgrades (#1078)
• [62f1535] maggma api needs uvicorn
• [9d03749] upgrade dependencies for deployment
• [0867658] Automated dependency upgrades (#1069)
• [424c8a6] Updated CHANGELOG.md
• [9b88ac6] precommit
• [0dddbdf] use just calcs_reversed instead of self.calcs_reversed
• [5e25f37] fix inp_set search when calcs_reversed is None
• [df2d0e1] Updated CHANGELOG.md
• [d748a2d] add checks for tasks model_post_init
• [7397a96] Bump the pip group across 2 directories with 1 update
• [f3d65de] upgrade dependencies for deployment
• [f925e5f] upgrade dependencies for deployment
• [a28ec9d] Updated CHANGELOG.md
• [d8477d4] make sure hubbards fields get added to entries for mats doc
• [8b23a06] add dielectric + optical absorption coeff to CalculationOutput model
• [578f615] upgrade dependencies for deployment
• [6c7d3ef] Merge branch 'materialsproject:main' into query_restructure
• [d32e7a4] Updated CHANGELOG.md
• [a36095b] Lint
• [a7ebc30] Found a bug in distributed building
• [6e6152b] Import fail
• [572f9c1] Small API changes
• [a0ece97] incorrect type hint for run_id in builder_meta
• [74917fb] Linter
• [298f879] Fix summary builder test
• [e481646] MYPY!!!!
• [3cafb81] Some type tests fail; trying to fix them
• [4b3bb61] Small change to field names - metal binding composite data wasn't being
• [e166da9] fix AS casing
• [2ee913e] upgrade dependencies for deployment
• [29e98b3] Automated dependency upgrades (#1067)
• [9501300] add min req for defects
• [c29a683] add reqs for defects
• [f0f3cdd] bump python image 3.1013.13
• [7c6bb4e] upgrade dependencies for deployment
• [d4b7003] Automated dependency upgrades (#1066)
• [b03412d] add transport-analysis dep
• [6891ad9] upgrade dependencies for deployment
• [d961ee0] Automated dependency upgrades (#1064)
• [653a3d6] remove 3.9 from testing
• [a35fb32] Removed (unnecessary) forces from molecules summary builder
• [b822b23] Bump the pip group across 4 directories with 16 updates
• [aa017a7] Bump werkzeug from 3.0.1 to 3.0.3 in /emmet-builders/requirements
• [6360904] Bump peaceiris/actions-gh-pages from 3.9.0 to 4.0.0
• [a4987c7] Bump jinja2 from 3.1.2 to 3.1.4 in /docs
• [da71e20] rm py3.9 dep files
• [7aedd38] bump python image 3.1013.12
• [1cffda6] remove py3.8/3.9 dep files
• [044844e] Automated dependency upgrades (#1061)
• [0636d92] Updated CHANGELOG.md
• [c5b294c] update dependencies for emmet-core (ubuntu-latest/py3.11)
• [3bc8638] update dependencies for emmet-core (ubuntu-latest/py3.10)
• [8962049] update dependencies for emmet-builders (ubuntu-latest/py3.11)
• [2702f80] update dependencies for emmet-builders (ubuntu-latest/py3.10)
• [cc10c90] update dependencies for emmet-api (ubuntu-latest/py3.11)
• [6a64e40] update dependencies for emmet-api (ubuntu-latest/py3.10)
• [7025b83] unpin pmg and update solvent analysis
• [b92b2d5] pre-commit linting