v0.34.0rc2

Fixes bug in deserialization of DOS object

v0.34.0rc1

Release candidate including changes to pull data from AWS open data buckets.

v0.33.3

Version 0.33.3

Commits

• [3ffecd2] get_ion_reference_data_for_chemsys: fix bug in str chemsys (#756)

v0.33.2

Version 0.33.2

Commits

• [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)

v0.33.1

Version 0.33.1

Commits

• [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] Enhance parallel requests and bug fixes (#496)
• [667848e] Move server side code to emmet-api package and parallel requests (#475)
• [2796143] Update requirements.txt
• [480f925] Fix typo
• [7c71437] Remove server reqs
• [ed581fd] dependabot PRs
• [f9da02f] dependabot PRs
• [6dae97f] bump python image 3.97.10
• [a42bb3c] Bump boto3 from 1.20.26 to 1.20.27
• [2a1c21a] dependabot PRs
• [e32114e] Chemsys added to electrodes (#468)
• [a286586] Split formula chemsys (#467)
• [3e1070c] Merge remote-tracking branch 'origin/dependabot/pip/boto3-1.20.25'
• [7ded0a7] Emmet bump (#466)
• [8791b61] Linting
• [7439ff4] bump python image 3.97.9
• [fb92dba] Bump boto3 from 1.20.24 to 1.20.25
• [9fb21c8] dependabot PRs
• [86b71c9] Update client for better caching of ion reference data
• [0e01012] bump python image 3.97.8
• [828a7f9] Bump uvicorn from 0.15.0 to 0.16.0
• [142e25a] dependabot PRs
• [f437ddd] Hint scheme added to tasks resource (#455)
• [4862fab] Add hint scheme for tasks
• [d6e5cde] Bump maggma version
• [c06fe3b] Add mpcontribs-client to requirements
• [69539c6] bump python image 3.97.7
• [aff2d60] Bump boto3 from 1.20.20 to 1.20.21
• [0e2f7f2] dependabot PRs
• [1a16d5e] Maggma bump for more changes (#449)
• [9551783] Bump maggma (#448)
• [0075208] Patch hint schemes (#447)
• [2fb5a95] Linting
• [c94800f] Hint schemes added to materials and summary (#446)
• [f31191a] Enable caching for get_ion_reference_data (#429)
• [a5214e9] dependabot PRs
• [bac5b28] Convert to using HasProps enum for summary client (#445)
• [b627f58] bump python image 3.97.6
• [8491de2] Accommodate new sorting query operator (#440)
• [943b349] bump python image 3.97.5
• [bd80cf4] Bump boto3 from 1.20.5 to 1.20.10
• [f6a8f18] dependabot PRs
• [2dcf3e3] Add minimum monty version
• [4f13ce2] Type hints (#431)
• [54217e2] Bump DB version to v2021.11.10 (#430)
• [113557a] Dielectric, Piezoelectric, Magnetism, Bonds, and Phase Diagrams (#420)
• [fcb94a4] Add Pourbaix client (#428)
• [2152f42] bump python image 3.97.4
• [23a3d38] Bump boto3 from 1.19.7 to 1.19.12
• [2e37679] Rename client methods to be more descriptive
• [440f18e] Fix default env variables (#426)
• [b3d4c44] Merge remote-tracking branch 'origin/dependabot/pip/boto3-1.19.7'
• [ad51542] Emmet bump (#425)
• [1ea24a1] Initial blue/green changes (#424)
• [b775db9] Remove stray print (#423)
• [12d0c18] Bump boto3 from 1.19.2 to 1.19.7
• [ae62b6c] optional flag to return task doc with chgcar (#419)
• [ee01b20] Sparse fields added to general store endpoint
• [0a02a5b] Fix literal import for python 3.7
• [d727115] Fix pagination on general store endpoint
• [f5dcbfe] Set meta to be Dict and add Literal type hint to document model
• [5a28d00] Add type hints
• [2d8310a] Add GeneralStoreRester
• [8c4670c] Update client.py (#418)
• [5bcdc9f] Bump emmet-core from 0.15.0 to 0.15.2
• [f743df2] Remove general data endpoint from docs (#416)
• [4d13aab] General store endpoint added (#415)
• [478907d] Bump boto3 from 1.19.1 to 1.19.2
• [0ccce1d] bump python image 3.97.3
• [2a20b72] dependabot PRs
• [fe9a41e] bump python image 3.97.2
• [7a12d22] dependabot PRs
• [4917f31] get_document_by_id to get_data_by_id (#406)
• [b07ff60] Bump emmet and fix dielectric doc import (#405)
• [abf3ffc] Update to ChargeDensityRester (#396)
• [8f810d8] Bump boto3 from 1.18.58 to 1.18.59
• [8532cf8] dependabot PRs
• [6f8d90c] dependabot PRs
• [083f56c] Bump boto3 from 1.18.48 to 1.18.52
• [ccbb9ca] dependabot PRs
• [8cf8a6d] Small oxidation state and thermo changes (#394)
• [b8c0471] General upgrades (#390)
• [714f2d5] bump python image 3.97.1
• [b75a3a7] more dependabot PRs
• [2f8f128] dependabot PRs
• [a48d459] dependabot PRs
• [6cdfc63] dependabot PRs
• [061c8db] dependabot PRs
• [6e02e3d] Bump monty from 2021.7.8 to 2021.8.17
• [b159a78] Bump materialsproject/devops from python-3.96.3 to python-3.96.4
• [b37c334] Task_id to material...

v0.33.0rc6

Fix MPRester attr mapping (#791)

* Fix MPRester attr mapping

* Linting

v0.33.0

Incorporate release candidate changes

v0.33.0rc5

Adds a fix to ensure legacy molecules data is still accessible via MPRester.molecules

v0.33.0rc4

Remove duplicate core setting

v0.33.0rc3

Small fix to emmet dependency