v0.41.2

Version 0.41.2

Commits

• [971d1ec] Remove deprecated arg from robocrys search (#899)

v0.41.1

Version 0.41.1

Commits

• [4d8dba0] Add task_ids query to legacy molecules rester (#897)

v0.41.0

Version 0.41.0

Commits

• [daefc5f] Enable downloads from AWS Open Data for all collections (#884)
• [8724ebe] Automated dependency upgrades (#893)
• [29879ec] Unpin pymatgen
• [4fb68fd] Pin pymatgen
• [045c2d2] Linting
• [1ae3b27] More typo fixes
• [e94b4d2] Typo fix
• [bfcc81c] Linting
• [5298a01] Fix rendering of MPRester docstring in deployed docs (#863)
• [3bc3ac8] Fix tests
• [887904b] Fix user settings get query
• [f4c4d9a] use latest emmet-core rc (#883)
• [96cf642] Deprecate get_data_by_id (#882)
• [8a84e76] Add last updated query to task search
• [09bdd4f] Limit parallel queries to 4 threads (#877)
• [0a1561a] Update max values in settings (#875)
• [5351c9b] Switch user-agent to mp-api version (#874)
• [39eb023] Fix client tests
• [2bebfa3] Dynamically instantiate MPContribs client (#870)
• [fec167e] Bump emmet-core
• [32ef4dd] Add sort back to messages
• [2af2749] Remove sort parameters from resters (#864)
• [d5240c5] Update elasticity material id query param
• [f380b4e] Switch elasticity rester key (#862)
• [22cd236] Linting
• [6cde233] Transition elasticity rester to new doc
• [5324d52] Fix structure test
• [1845d1e] Merge branch 'main' of https://github.com/materialsproject/api
• [f58511d] Fix eos test
• [9a971c2] Read API key from pymatgen config (#856)
• [47fc608] Fix pydantic deserialization issues with root obj (#854)
• [cc97851] patch agreed_terms field for user settings (#853)
• [6215e93] Automated dependency upgrades (#852)
• [9f89319] Set maggma lower bound
• [e069065] Automated dependency upgrades (#851)
• [83b27a0] Clarify top level get_entries method (#848)
• [ff7f643] Pydantic 2 support (#847)
• [ffd9713] Add arg to mute progress bars (#844)
• [63adcdf] Lazy loading and caching (#842)
• [6c40f72] Automated dependency upgrades (#843)
• [07f9bd9] Fix dep upgrade wflow
• [f82a3df] Update minimum python version
• [7109a44] Update build wflow
• [57d8acf] General repo and tooling cleanup (#839)
• [f8cfd82] Linting
• [0a2c36d] Optional botocore
• [7cbf363] use create_user_settings for new users posting settings for the first time (#837)
• [5f15be1] Keep boto3 optional (#836)
• [2352288] Update setup.py
• [01983ca] Update setup.py
• [46cb50e] Nest all resters (#833)
• [3855505] Update docs link
• [b2431e8] replace method post with patch for user setting to avoid wiping out certain fields (#829)
• [b2f2bc0] fix MPRester doc string for notify_db_version (#746)
• [f0fb74a] Revert pmg bump
• [68f769b] Bump pmg
• [1989f03] Add sorting and projecting to private resters (#826)
• [c32d071] Remove existing warning
• [98443a0] Merge branch 'main' of https://github.com/materialsproject/api
• [da0f4df] Add warning when accessing new molecules data
• [bf5bfee] Accommodate cloudflare errors (#823)
• [8709dec] add a patch method to update the message_last_read field in _user_set… (#821)
• [a1512bb] Automated dependency upgrades (#822)
• [5da8ed2] unsigned boto3 (#818)
• [928a696] Linting
• [8f0358a] Fix de-serlization of dos object
• [bf390c7] Integrate AWS open data buckets (#815)
• [f7e2a4e] Automated dependency upgrades (#816)
• [de162d5] Merge branch 'main' of https://github.com/materialsproject/api
• [d5fb390] Add messages client and 400,404 warnings
• [9976131] Fix molecules summary tests
• [3e514cf] Overload model dict to fix monty dumping (#813)
• [04f0662] Add 504 and 502 responses to retry settings
• [e4a0734] New molecules resters (#803)
• [3ffecd2] get_ion_reference_data_for_chemsys: fix bug in str chemsys (#756)
• [a7097c7] Automated dependency upgrades (#800)
• [9e5be9f] More test fixes
• [307e9db] Fix traj test
• [6e225dc] More chemenv test fixes
• [5997ff5] Fix chemenv test
• [e5b6e17] Linting
• [138057f] Fix setup
• [37763cb] Add testing reqs
• [06e4f4e] Fix gh token
• [3cb5d68] Fix git add
• [a321cb0] Fix req file references
• [3555dd2] Initial commit of req files
• [1876881] Don't treat as namespace
• [94a30fd] Add dependency wflow (#793)
• [aa93193] Update chemenv documetation and suggestions (#771)
• [68d54df] Fix MPRester attr mapping (#791)
• [c148ac2] Remove repeated setting (#790)
• [1defa9a] Remove dependabot and fix emmet dep
• [e878b9e] Unpin emmet-core
• [570dbfc] Add materials route nesting (#787)
• [d5190ff] Disable nested monty decode for some data (#784)
• [6316599] Ruff (#772)
• [53d30d8] Chemenv rester (#770)
• [e298b17] Make top level convenience method default to gga_gga_U
• [6ae15fd] Remove default thermo type in rester (#768)
• [1e1c377] Add new absorption rester (#765)
• [410627e] Fix dynamic model getattr (#764)
• [f5055d0] Pin emmet core to fix task doc validation
• [7aceb53] Fix material rester tests (#760)
• [dd9c5db] Small edit to add backoff_factor to client (#759)
• [858409f] Default API key value to None in MPRester (#743)
• [2ec98bd] Allow thermo_type string passing for phase diagram method (#742)
• [9dc27dc] add duplicate element checking in MPRester.get_entries_in_chemsys (#736)
• [0713f8c] Accept list[str] for thermo_types in ThermoRester.search() (#729)
• [1e83e2b] Ensure PhaseDiagram qhull_data is a numpy array (#731)
• [ece1b3e] Fix el_refs dict keys in PhaseDiagram objects (#730)
• [98eb360] Set default thermo_type in thermo search method (#726)
• [15c378b] use query_contributions for ion ref data
• [bebe77b] formatting; 32 apikey length
• [02e322f] Fix session typo
• [5ef9313] FIx order of input chemsys for pd search (#719)
• [8f21dbb] Fix passing session and headers in base rester (#717)
• [ac4bb36] Custom sessions (#716)
• [6bf1791] Header dictionary pass through and BaseRester nesting fix (#715)
• [49fc74a] Update thermo rester methods (#714)
• [fecf7fd] Fix robocrys search pagination (#712)
• [bc5a9fb] Add task_id list and elements to task search method (#709)
• [80f4686] Allow the pmgrc file to be read for the MPREster settings (#708)
• [574cda5] Fix charge density task_ids list query (#707)
• [17dd2cc] Implement method to get NOMAD download URL (#702)
• [ebe7c43] Insert missing comma in setup.py (#697)
• [d3f7687] Smart chunk with max URL length consideration (#695)
• [72eafaa] Add back additional_criteria as an input to get_entries and get_entries_in_chemsys (#693)
• [2292fc1] Ensure parity with top level legacy methods (#691)
• [25b21d8] Use six API keys in testing workflow instead of one (#687)
• [9f821a1] Remove manual dispatch from release wflow (#686)
• [f94a4fb] Fix wflow dispatch
• [045f94e] Fix release wflow
• [9913239] Add sphinx docs (#684)
• [89b37a6] Bump emmet (#679)
• [0b4520f] Remove pytest.mark.xfail decorator, test expected to pass
• [2849726] use latest actions/setup-python and actions/checkout (#678)
• [f29b2e0] support single values as search filters (#672)
• [3f97dec] Adding msgpack to requirements
• [6b9ebdf] Add msgpack to reqs (#671)
• [12c9371] Bump emmet-core (#670)
• [5057437] Temp ignore task test
• [7b9b3e1] Clean up dependencies (#666)
• [9ec0a9d] Only run MPDataDoc factory once per chunk (#665)
• [22501cd] Fix typo (#662)
• [fd5fb59] Add MPRestError import to root (#661)
• [f1b1b28] Fix wheels install (#660)
• [ebd426d] Namespace package, material_ids parameters (#659)
• [394fc4c] Raise attribute error for MPDataDoc (#658)
• [2856653] Add custodian as a dependency (#656)
• [be24667] Enhance output objects (#654)
• [ef951a2] disable requests.Session.trus_env on default (#648)
• [996324f] Add exclude elements to list of non-parallel (#649)
• [9aa0b28] Add convenience method for AlloysRester (#647)
• [05dd0c0] Add timeout to get requests (#646)
• [3850b80] Bump maggma to fix pydantic model sanitization (#644)
• [7d25a40] Add AlloyRester (#643)
• [9f99e6d] Bump emmet core (#641)
• [341ff2c] Bump emmet and maggma (#638)
• [96eaabb] Bump emmet and update reference to legacy elasticity (#620)
• [3ea2f4b] Fix edge and spectrum type in xas client (#619)
• [250f51c] Enhance usability (#506)
• [865f33f] Fix molecules import (#607)
• [efb161e] Pourbaix: fix filtering extra elements (#606)
• [6e4da02] Update molecules doc import (#598)
• [89de344] Add client side checks on material and task IDs (#589)
• [a4933b5] Fix unsiged S3 configuration when using in deployment (#583)
• [683ec9d] Ensure bucket name is present for AWS deployment (#582)
• [2db0b6a] Use boto3 instead of direct get requests in client for charge density data (#581)
• [a87971f] Change s3 timeout values (#580)
• [99e811a] Check for AWS deployment in CHGCAR lookup (#579)
• [047d832] Band structure, DOS, and charge density changes (#577)
• [1e96481] Update prefixed query params (#571)
• [b877ae9] Add minimal API key validation (#572)
• [46d83aa] Fix MPRester import in core client (#567)
• [32c45ba] Update README.md
• [64c229b] Fix electrode test
• [6785935] Update reqs
• [77f4af7] Bump maggma from 0.40.0 to 0.44.1 (#551)
• [e08de40] Bump emmet-core from 0.21.19 to 0.21.20 (#540)
• [d1a79a5] Add back windows testing
• [9a9ce39] Bump pymatgen (#550)
• [d5e0a47] Update testing pipelines
• [c293b66] Ensure proper env var (#546)
• [bc3094c] Mute progress bars with MUTE_PROGRESS_BARS env variable (#545)
• [d64c402] Try additional operating systems in testing matrix
• [2b8cba3] task_id to material_id in xas search (#544)
• [8eecf9e] Bump mpcontribs
• [2c04bf7] Fix trajectory convenience function (#542)
• [aeefde8] Include response handling in multithreading (#538)
• [eaae661] LImit synthesis tests
• [d4bce7b] Use reference solids to construct the ion reference phase diagram (#533)
• [7ce7c4c] Fix task_id return when no calc_types given (#527)
• [951d17b] more dependabot PRs
• [b13ce17] dependabot PRs
• [3418c5c] remove docker remnants
• [587fbe6] Change max paralle in test wflow (#505)
• [ebd7403] Remove heartbeat slash (#504)
• [4377f11] Format endpoint in MPRester (#502)
• [2f2c5f8] Fix reqs (#501)
• [560706e] Enha...

v0.40.2

Unpin pymatgen and upgrade dependencies

v0.40.1

Pin pymatgen < 2024.2.20.

v0.40.0rc3

Fix user settings GET method

v0.40.0rc2

Update dependencies

v0.40.0rc1

Initial release with deprecated of get_data_by_id

v0.40.0

Deprecation of get_data_by_id

v0.39.5

Add last updated query to task search