emmet-core 0.83.0

v0.83.0

on Python PyPI

Version 0.83.0

Commits

• [9381cc2] Add sorting back to summary (#997)
• [498a968] upgrade dependencies for deployment
• [e6749c4] upgrade dependencies for deployment
• [3a9a0f7] Updated CHANGELOG.md
• [1af52bc] Merge pull request #984 from orionarcher/only_schemas
• [7c582b4] upgrade dependencies for deployment
• [579f981] Automated dependency upgrades (#993)
• [4743970] Automated dependency upgrades (#991)
• [13dc5e0] upgrade dependencies for deployment
• [69b687e] Add test for CalcOutput.from_directory.
• [b9eb651] In MoleculeSpec replace formal_charge with charge_scaling
• [b30b9e7] Fix mypy errors.
• [5e7ecf5] Improve documentation and change some variable names.
• [d550860] bump python-3.1013.8
• [e6307bc] upgrade dependencies for deployment
• [85d5e74] Automated dependency upgrades (#985)
• [9de67ab] upgrade dependencies for deployment
• [4ba4f1d] Linting
• [9c9dee9] Merge branch 'refs/heads/main' into only_schemas
• [891b067] Check that dcd exists before loading.
• [7902b9c] Create HexBytes type for serializing blobs and make interchange and traj_blob HexBytes.
• [59580e5] Remove import from atomate2
• [a7ffcdd] Move openmm schema to openmm/tasks.py in classical_md directory.
• [5b49c2a] Move classical md schema to tasks.py in classical_md directory. Add import to init.py to keep imports the same.
• [463c1a2] upgrade dependencies for deployment
• [ec8fd58] Automated dependency upgrades (#983)
• [ff70db0] bump to python-3.1013.7
• [c78d417] update dependencies for emmet-core (ubuntu-latest/py3.9)
• [c9084a7] update dependencies for emmet-core (ubuntu-latest/py3.11)
• [b4f7ab9] update dependencies for emmet-core (ubuntu-latest/py3.10)
• [29b4f8c] update dependencies for emmet-builders (ubuntu-latest/py3.9)
• [60d490c] update dependencies for emmet-builders (ubuntu-latest/py3.11)
• [135d547] update dependencies for emmet-builders (ubuntu-latest/py3.10)
• [cbfafd2] update dependencies for emmet-api (ubuntu-latest/py3.9)
• [3619058] update dependencies for emmet-api (ubuntu-latest/py3.11)
• [8bbc3af] update dependencies for emmet-api (ubuntu-latest/py3.10)
• [8b10164] Bump urllib3 from 1.26.5 to 1.26.18 in /emmet-cli
• [f16ba2d] upgrade dependencies for deployment
• [a48cd81] bump to python-3.1013.2
• [6ce6c62] optional datadog
• [1ec72fe] upgrade dependencies for deployment
• [505799e] Automated dependency upgrades (#978)
• [3bd8516] Updated CHANGELOG.md
• [98debc2] Revive ValueEnum.as_dict method (#974)
• [78a0ecd] upgrade dependencies for deployment
• [09c1d6d] Automated dependency upgrades (#969)
• [43c9801] Updated CHANGELOG.md
• [b826ea3] Add schema for atomate2 classical_md workflows (#975)
• [11dec3c] upgrade dependencies for deployment
• [dffb92c] Ignore type errors
• [59c12c0] Adding the Task Document and Calculation schema for the classical_md atomate2 workflows.
• [bb17c5e] Updated CHANGELOG.md
• [5cc66a2] Merge pull request #973 from materialsproject/matminer-upgrade
• [0903b4c] bump matminer
• [c415aed] Updated CHANGELOG.md
• [93353a9] Fix potcar checking (#972)
• [560e8fa] upgrade dependencies for deployment
• [fb666ca] Updated CHANGELOG.md
• [98b75bf] Changes for tackling the LevelOfTheory errors (#970)
• [d666127] Updated CHANGELOG.md
• [cf9f606] replace check for potcar hash with check for potcar summary stats (#966)
• [d334889] upgrade dependencies for deployment
• [c5f9583] upgrade dependencies for deployment
• [fb713f3] Automated dependency upgrades (#961)
• [183d74c] upgrade dependencies for deployment
• [876cfc4] upgrade dependencies for deployment
• [6d88742] Fix hydrogen element injection in anonymous formula queries (#957)
• [0bd524c] bump python image 3.1010.24
• [8e59160] upgrade dependencies for deployment
• [58eb77d] Automated dependency upgrades (#956)
• [350f56e] Updated CHANGELOG.md
• [0e9cc5c] Fix docs wflow python version (#948)
• [75140cd] Fix blessed calcs projection (#947)
• [3e99348] Add magnetic_moments to InputDoc (#945)
• [abb8b2f] Provenance created_at fix (#946)
• [aa9d938] upgrade dependencies for deployment
• [6614352] Automated dependency upgrades (#943)
• [7735bb1] Fix JSON serialiation of ValueEnums (#944)
• [5fe2f18] upgrade dependencies for deployment
• [31b95e3] stick with matplotlib 3.8.2 for now
• [479baae] upgrade dependencies for deployment
• [ed63b5d] Automated dependency upgrades (#942)
• [36fdfff] Temp removal of mol endpoints except legacy and summary (#941)
• [424841e] Fixed TaskDoc for vasp_ml MD calculations. (#939)
• [51892d8] stick with matplotlib 3.8.2 for now
• [ab32881] upgrade dependencies for deployment
• [0e4ac4f] Automated dependency upgrades (#940)
• [e9689db] added store_onsite_density_matrices option issue atomate2 #671 (#925)
• [2fa80de] Correct typing of TaskDoc.transformations field (#937)
• [d0276a1] upgrade dependencies for deployment
• [9e5fc36] upgrade dependencies for deployment
• [238b409] Automated dependency upgrades (#938)
• [d8d6941] upgrade dependencies for deployment
• [6853ed2] Small key endpoint related bug fixes (#936)
• [413bb5c] Remove single ID endpoints (#935)
• [666433f] upgrade dependencies for deployment
• [a523cb2] Automated dependency upgrades (#934)
• [646026f] upgrade dependencies for deployment
• [314be5c] bump python image 3.1010.22
• [46e4b05] upgrade dependencies for deployment
• [0bd8369] Automated dependency upgrades (#931)
• [4cf5947] api: force use of emmet-core rc version
• [07eb50d] rm ddtrace pin
• [e9950a6] Dep emmet-core[all] -> emmer-core
• [17b48ab] Resolving Issues #929 and #930 (#932)
• [c54c6a9] Fix structure group datetime handler
• [8bcbadd] upgrade dependencies for deployment
• [8142a6a] upgrade dependencies for deployment
• [264f03e] Linting
• [8060ddf] Fix datetime BSON serialization
• [835e723] upgrade dependencies for deployment
• [d7c8036] Allow ULID for MPIDS (#928)
• [4372799] upgrade dependencies for deployment
• [35b1d42] bump python image 3.1010.21
• [83530f9] Automated dependency upgrades (#927)
• [973b6a0] upgrade dependencies for deployment
• [987eb4b] upgrade dependencies for deployment
• [8d8beb6] Automated dependency upgrades (#923)
• [8bfc343] Merge pull request #924 from materialsproject/ml-doc-pydantic-schema-compliance
• [c2b572d] update doc str
• [8b77f16] switch 'name' to 'model' for clarity
• [4413863] don't forget to update the builder too...
• [4369778] remove 'model_' from field names to prevent clash with pydantic's protected 'model_' namespace
• [fdbd3a4] upgrade dependencies for deployment
• [e189619] Minor patch to electrode (#922)
• [aff719d] upgrade dependencies for deployment
• [386875d] Linting
• [513c4e2] Tweaks in TaskDoc.From_directory for handling chem directories coming from automata and also from manual qchem calculations (#913)
• [dc07696] Linting
• [87355cb] Fix parameterized test skipping
• [fad6b96] More skip fixes
• [5531ae8] Merge branch 'main' of https://github.com/materialsproject/emmet
• [6dfe0fe] Fix ml skil
• [af7d707] upgrade dependencies for deployment
• [f1fa303] Automated dependency upgrades (#921)
• [647afe4] Re-order test skips
• [eaa9657] Merge branch 'main' of github.com:materialsproject/emmet
• [bb8fe7d] Add field projection to blessed tasks
• [28747b5] upgrade dependencies for deployment
• [7235390] upgrade dependencies for deployment
• [ae4b68b] Automated dependency upgrades (#920)
• [fefaf84] Add last updated query to tasks endpoint
• [6818073] Add last updated query
• [cc34208] Fix blessed entries query op
• [bd8fc67] upgrade dependencies for deployment
• [7af21f7] Automated dependency upgrades (#915)
• [72d0489] Merge pull request #916 from materialsproject/fix-matcalc-module-rename
• [8a6be89] fix typos
• [079c0b0] fix matcalc.util -> utils rename in v0.0.4
• [adc2093] bump GitHub Actions checkout and setup-python version
• [cf58db5] upgrade dependencies for deployment
• [cd00fee] upgrade dependencies for deployment
• [6f05d81] upgrade dependencies for deployment
• [78c9dd5] Automated dependency upgrades (#912)
• [c1bf76a] upgrade dependencies for deployment
• [6ae1944] [WIP] PR: Construction of a QChem TaskDoc which can eventually replace the atomate(1) drones.py functionality (#811)
• [e5d359b] upgrade dependencies for deployment
• [c3555a9] upgrade dependencies for deployment
• [7d7d03e] Automated dependency upgrades (#911)
• [fda30fa] upgrade dependencies for deployment
• [0505873] Automated dependency upgrades (#908)
• [eee8240] Small speed related changes (#910)
• [2e2ae4d] Transition wildcard chemsys queries to comp reduced (#909)
• [a1334ad] upgrade dependencies for deployment
• [10b69f4] upgrade dependencies for deployment
• [df1ebcc] upgrade dependencies for deployment
• [66a49a1] Fix summary hint scheme for excluding elements (#906)
• [3b5815e] upgrade dependencies for deployment
• [5eb92fd] Automated dependency upgrades (#904)
• [6472cfd] Ensure RunType enum variants are case insensitive (#905)
• [4921561] upgrade dependencies for deployment
• [c0594ab] upgrade dependencies for deployment
• [732ffad] upgrade dependencies for deployment
• [dd4eab7] increase timeout to finish startup w less cpu
• [04bb41e] upgrade dependencies for deployment
• [dca555c] Improve trajectory handling for MD (#886)
• [728e858] Handle data license (#903)
• [0318745] upgrade dependencies for deployment
• [51dc3e3] Automated dependency upgrades (#900)
• [6322d74] Remove all sort parameters (#902)
• [a1f4d16] bump python image 3.1010.19
• [10abff3] upgrade dependencies for deployment
• [1852752] upgrade dependencies for deployment
• [a0a5acd] Fix hint scheme bug (#899)
• [bf8a4ef] upgrade dependencies for deployment
• [9ee219d] Automated dependency upgrades (#898)
• [1deda23] upgrade dependencies for deployment
• [0b02394] Fix elasticity endpoint key (#896)
• [70094f3] Fix has props and composition in hint (#895)
• [9c78dd7] upgrade dependencies for deployment
• [eaf0fc6] Fix summary timeouts (#894)
• [ba01dff] Add new POTCAR validation to VASP validation plus tests (#892)
• [39edc68] Merge pull request #893 from materialsproject/fix-ml-doc
• [0758342] fix units in MLDoc doc str for elasticity props: GPa -> eV/Angstrom^3
• [4fa3828] fix MLDoc broken schema matcalc.PhononCalc breaking change
• [79f191f] fix typo
• [f4d3132] upgrade dependencies for deployment
• [5fe81af] bump python image 3.1010.17
• [3d36333] Automated dependency upgrades (#888)
• [c08d2b6] Merge pull request #891 from materialsproject/cli_backup_expansion
• [ea2f21b] remove forgotten test call to launcher_finder from survey
• [b160381] add conditional checks so that quarantined launchers aren't listed for re-org or backup
• [051517c] formatting
• [8d80b90] stupid ; typo
• [3ffc9aa] add check for --tar without --clean
• [982426d] Change 'Invocation' -> 'Usage' to be consistent with other cli help strings
• [e60c759] fix datetime string formatting for survey output file
• [79fd94b] actually remove the .sh version of launcher_finder
• [5a2e240] remove .sh from launcher_finder (looks cleaner)
• [beb5051] add help flag for launcher finder
• [19e7887] add output file flag for launcher finder, allow launcher finder to just report to stdout if no output file provided
• [037acd2] fix returncodes typo
• [e37d469] add exhaustive flag to backup check to allow switching between checking individual launchers in the archive or checking the archive as single unit
• [eacca97] check to make sure user has parallel installed for survey
• [03ef8bf] add new cli survey option -> uses launcher_finder script to search for block launchers that have vasprun files
• [04b3586] modify logic for verifying local vs hpss archive -> no hard fails if verification fails and only marks launchers that pass hpss verification for cleaning
• [ae58541] rm already_in_hpss logic flag
• [51b5a26] Fix description typo
• [d8052b0] Replace source and lint
• [06bb15f] Linting
• [8b15e00] Fix type hint
• [823f4e7] Fix emmet-api tests
• [f0c1a35] Linting
• [fe17be3] Temp skip decoding in task doc
• [6fd4753] Linting
• [d72dccc] Temp skip robocrys tests
• [e9149d2] fix custodian import (#884)
• [d104c8d] Linting
• [0e1223b] Automated dependency upgrades (#887)
• [da735d3] Add custodian to reqs
• [4adefc0] upgrade dependencies for deployment
• [b295a8e] include launcher_finder script in setup.py
• [694c584] add launcher_finder script
• [1535d50] first steps for tar-ing block launchers after cleaning
• [d156c41] Fix materials hint scheme
• [2ab9412] Merge pull request #869 from materialsproject/add-run-ddec6-option-to-calc-from-vasp-files
• [a659489] add DDEC6 link to sourceforge.net/projects/ddec
• [e7c61e2] allow run_ddec6: str to pass custom path to DDEC6 atomic densities directory
• [bc2f687] Fix atomate2 issues (#883)
• [be40a1f] Fix corrected entries builder
• [46486b0] upgrade dependencies for deployment
• [098aeef] Add elastiticy queries to summary
• [dfbe1ca] Don't validate elasticity
• [5953f55] upgrade dependencies for deployment
• [6066599] Merge branch 'main' of github.com:materialsproject/emmet
• [e689261] Revert materials hint scheme
• [97ab2f8] upgrade dependencies for deployment
• [0ec549d] Update hint schemes and has_props query
• [847c891] Fix has_props in summary doc
• [4c448c4] Update summary model has_props
• [bd1c82b] Update hint scheme and has_props
• [1264493] upgrade dependencies for deployment
• [8bf7303] Change alloy collection name and bump reqs
• [08f1438] upgrade dependencies for deployment
• [55baa0e] upgrade dependencies for deployment
• [13b8049] Linting
• [8a5d7f9] Fix elasticity db in API
• [d42271f] upgrade dependencies for deployment
• [3fe057d] upgrade dependencies for deployment
• [6057d3a] Automated dependency upgrades (#882)
• [a34bfdd] bump python image 3.1010.16
• [0d77d7b] upgrade dependencies for deployment
• [1a77a2a] Incorporate blessed tasks endpoint (#880)
• [dc620e7] Automated dependency upgrades (#875)
• [3444d04] Add summary_stats attr to emmet.core.vasp.calculation.PotcarSpec (#874)
• [1e65eeb] Add material ID query to elasticity (#881)
• [123e8ea] Fix TaskDoc.from_directory when dir_name != "." (#873)
• [9c755a3] Nested elasticity summary fix (#878)
• [fc7b5a8] Generic HF calc type (#876)
• [d431342] Fix new elasticity sub field in summary (#877)
• [ebbe8d5] upgrade dependencies for deployment
• [c174e2b] pin ddtrace for now
• [ad5c697] api: revert long description from README
• [1cc22ed] bump python image 3.1010.15
• [4fa6005] upgrade dependencies for deployment
• [b9f2ccf] Automated dependency upgrades (#871)
• [1222248] upgrade dependencies for deployment
• [8d9c6d9] Automated dependency upgrades (#870)
• [6a3c0e5] test_calculation check bader and ddec6 keys exist but are None
• [7f15cec] core/vasp/calculation.py add field ddec6 to class Calculation
• [24a74ea] Fix incar handling in elasticity (#868)
• [b2cedcf] Fix remaining elasticity transformation issues
• [cbcda4e] Merge branch 'main' of https://github.com/materialsproject/emmet
• [077f494] Remove prints
• [089bfa4] Fix transformation in elasticity
• [f17f5f7] Fix transformation portion of materials builder
• [02d6d96] Fix PyPI missing project description (#866)
• [203c29e] Fix NSCF line mode task type iden (#865)
• [c70ea4d] Fix import
• [871d72f] Merge branch 'main' of https://github.com/materialsproject/emmet
• [447e396] Remove numeric query from eos
• [9da9d81] fix atomate2 CI failing 32 tests with 3 validation errors for TaskDoc (#863)
• [361214e] Merge pull request #864 from materialsproject/fix-fw-json-uuid-resolve-ref
• [9c41d8e] _parse_additional_json ignore FW.json(.gz)
• [8184d2d] Automated dependency upgrades (#861)
• [ff0ee45] replace deprecated pkg_resources with importlib.metadata.version (#862)
• [1cbce23] upgrade dependencies for deployment
• [e4d3b75] upgrade dependencies for deployment
• [2bae567] Automated dependency upgrades (#860)
• [aad9f2e] Fix density validator (#859)
• [e05aec3] Fix search stats query op (#858)
• [5d05a93] 60s timeout for startup
• [813d7ee] upgrade dependencies for deployment
• [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)
• [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