Skip to content

v0.83.9
Compare
Choose a tag to compare
@munrojm munrojm released this 12 Jun 05:49
v0.83.9
9abd7a4
This commit was created on GitHub.com and signed with GitHub’s verified signature.
GPG key ID: B5690EEEBB952194
Learn about vigilant mode.

Version 0.83.9

Commits

  • [9abd7a4] Automated dependency upgrades (#1032)
  • [c66f2f1] upgrade dependencies for deployment
  • [5144d73] Automated dependency upgrades (#1029)
  • [fa33118] Update setup.py
  • [b68abd6] upgrade dependencies for deployment
  • [06b58ca] Automated dependency upgrades (#1025)
  • [63914ff] Bump codecov/codecov-action from 3.1.1 to 4.4.1
  • [78e6e68] Bump conda-incubator/setup-miniconda from 2 to 3
  • [d4c3fe3] Update testing.yml
  • [c362390] Automated dependency upgrades (#1024)
  • [8d9800c] revert chgnet pin
  • [18e44be] Update upgrade-dependencies.yml
  • [a6799b5] Update upgrade-dependencies.yml
  • [7525fe0] Update upgrade-dependencies.yml
  • [2039909] Update upgrade-dependencies.yml
  • [5286ac1] pin chgnet
  • [fc186a5] openff dependencies
  • [7517ae0] Automated dependency upgrades (#1023)
  • [7dbf803] add solvation-analysis and MDAnalysis dependencies
  • [ccd638f] upgrade dependencies for deployment
  • [9d5ba64] Automated dependency upgrades (#1017)
  • [d2e15d4] Updated CHANGELOG.md
  • [ad45cfa] make ml dependencies optional
  • [51bcc82] upgrade dependencies for deployment
  • [b8cf897] Updated CHANGELOG.md
  • [0eeb5fc] add MANIFEST.in w/ explicit path to mp_potcar_stats.json.gz for packaging
  • [a82f949] roll back emmet-builders dependence
  • [d276126] linting
  • [1d6ef67] ensure that orig_inputs is not serialized to a Potcar object
  • [54d20a0] fix type in potcar lib; ensure that orig_inputs cannot contain potcar
  • [292e2f7] upgrade dependencies for deployment
  • [a3b393a] bump python-3.1013.10
  • [c25cc1c] upgrade dependencies for deployment
  • [ee084c2] Automated dependency upgrades (#1012)
  • [b9e2c92] bump python-3.1013.9
  • [f3ce706] Updated CHANGELOG.md
  • [ec4d0b5] Merge pull request #971 from esoteric-ephemera/taskdoc
  • [f717131] cleanup mac sed edited docs
  • [5918618] kludge ci workflow dependency to pin pymatgen version
  • [2e27989] add batch_id to tasks, mark certain glue code for removal pending db update
  • [7ab775f] pymatgen dependency change
  • [292c5d3] decrease pymatgen version because of breaking change; awaiting release
  • [084fe61] revert cli changes, move to separate pr
  • [67b611c] Merge branch 'materialsproject:main' into taskdoc
  • [d9d7d21] upgrade dependencies for deployment
  • [939508c] Updated CHANGELOG.md
  • [2301701] add default long description when building emmet-core in container context
  • [2b52bc9] upgrade dependencies for deployment
  • [383a2ed] Updated CHANGELOG.md
  • [c3e74a3] change default to None for forces and stress to prevent Pydantic validation errors on older calculations that did not calculate those fields
  • [39be2f6] upgrade dependencies for deployment
  • [3cf0d2b] Automated dependency upgrades (#1009)
  • [3a6d25e] Merge branch 'materialsproject:main' into taskdoc
  • [47c7ed8] Automated dependency upgrades (#1002)
  • [260dff0] upgrade dependencies for deployment
  • [5b5ca7d] move undeform_structure function to core utils (#999)
  • [2932ae8] upgrade dependencies for deployment
  • [643ed8b] Automated dependency upgrades (#1000)
  • [1ea8937] Updated CHANGELOG.md
  • [c5a9f12] Automated dependency upgrades (#998)
  • [7615652] Updated CHANGELOG.md
  • [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)
  • [cd9a5f7] Merge branch 'materialsproject:main' into taskdoc
  • [13b52d5] linting
  • [9b850c0] remove atomate dependence in emmet-cli
  • [4743970] Automated dependency upgrades (#991)
  • [13dc5e0] upgrade dependencies for deployment
  • [75e83e2] linting
  • [ca4011a] first pass removing atomate dependence for VaspCalcDb
  • [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.
  • [b0915f3] Merge branch 'materialsproject:main' into taskdoc
  • [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)
  • [c644899] Refactor test to dump transformations.json to tmpdir
  • [8245ad2] timezone.UTC --> timezone.utc
  • [90183de] Make sure datetime fix for deprecated utcnow works with older python
  • [24eeb15] linting
  • [d6ca6b0] continue adding missing links between TaskDoc and TaskDocument
  • [3bd8516] Updated CHANGELOG.md
  • [98debc2] Revive ValueEnum.as_dict method (#974)
  • [6e3aa48] continue refactor
  • [78a0ecd] upgrade dependencies for deployment
  • [09c1d6d] Automated dependency upgrades (#969)
  • [0f99c88] linting
  • [242a4b0] Merge branch 'materialsproject:main' into taskdoc
  • [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
  • [b0aa7d2] Merge branch 'materialsproject:main' into taskdoc
  • [c415aed] Updated CHANGELOG.md
  • [93353a9] Fix potcar checking (#972)
  • [560e8fa] upgrade dependencies for deployment
  • [52bf6f3] revert potcar checks, move to separate PR
  • [a9a6622] fix materials docs / build
  • [fb666ca] Updated CHANGELOG.md
  • [98b75bf] Changes for tackling the LevelOfTheory errors (#970)
  • [a49c457] Add non-strict option for potcar summary stats generation
  • [1919271] fix typing of task_names
  • [9a5cc3f] fix typing in BaseCalculationModel
  • [1249f25] linting
  • [593a372] Merge branch 'main' into taskdoc
  • [7cd9b9c] Refactor to use only TaskDoc and not TaskDocument, many other small changes
  • [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)
Assets 2
Loading