Releases: materialsproject/api
Releases · materialsproject/api
v0.37.2
v0.37.1
v0.37.0
v0.36.1
v0.36.0
Version 0.36.0
Commits
- [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]
forthermo_types
inThermoRester.search()
(#729) - [1e83e2b] Ensure PhaseDiagram qhull_data is a numpy array (#731)
- [ece1b3e] Fix
el_refs
dict keys inPhaseDiagram
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 toget_entries
andget_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
tomaterial_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
andsummary
(#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
- [b...
v0.35.1
v0.35.0
Version 0.35.0
Commits
- [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]
forthermo_types
inThermoRester.search()
(#729) - [1e83e2b] Ensure PhaseDiagram qhull_data is a numpy array (#731)
- [ece1b3e] Fix
el_refs
dict keys inPhaseDiagram
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 toget_entries
andget_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
tomaterial_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
andsummary
(#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) - [113557...
v0.34.3
v0.34.2
v0.34.1
Version 0.34.1
Commits
- [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]
forthermo_types
inThermoRester.search()
(#729) - [1e83e2b] Ensure PhaseDiagram qhull_data is a numpy array (#731)
- [ece1b3e] Fix
el_refs
dict keys inPhaseDiagram
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 toget_entries
andget_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
tomaterial_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
andsummary
(#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
...