Version 0.71.1
Commits
- [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 configallow='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 tomd5_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
andMLDoc
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
andhubbards
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
- [c1d2d3b] Updated CHANGELOG.md
- [e4ec106] Fix task_id type in elasticity (#749)
- [5a06cc2] Merge pull request #747 from blokhin/patch-1
- [474e6fb] Add more info about the Optimade support
- [659afe5] Ensure chemenv and absorption is incorporated into summary (#712)
- [aa664e4] increase max requests/jitter
- [de879bc] upgrade dependencies for deployment
- [a0eb759] Automated dependency upgrades (#746)
- [ea58b96] upgrade dependencies for deployment
- [d0f1b52] bump python image 3.1010.4
- [8a164f7] upgrade dependencies for deployment
- [5e5c1f7] bump python image 3.1010.3
- [a5133e3] Automated dependency upgrades (#744)
- [e745ff0] Updated CHANGELOG.md
- [1916a9c] fix formula_double_format() return type change str -> float (#745)
- [24fcf8b] Automated dependency upgrades (#743)
- [504838a] upgrade dependencies for deployment
- [4c8bfcd] upgrade dependencies for deployment
- [631ae6e] Automated dependency upgrades (#741)
- [274d73a] upgrade dependencies for deployment
- [e18587a] Automated dependency upgrades (#739)
- [cdf51e2] Automated dependency upgrades (#736)
- [6b2441e] upgrade dependencies for deployment
- [47ae22c] upgrade dependencies for deployment
- [7069f36] Automated dependency upgrades (#733)
- [d7c5a90] upgrade dependencies for deployment
- [c9bab69] Automated dependency upgrades (#732)
- [620d99b] Updated CHANGELOG.md
- [e5e44f6] Fix molecule collection names
- [411b9c4] Updated CHANGELOG.md
- [aaa34a4] Fix summary sub path (#726)
- [cddd9b8] upgrade dependencies for deployment
- [8d8377f] Automated dependency upgrades (#725)
- [de2d700] upgrade dependencies for deployment
- [f374858] Automated dependency upgrades (#724)
- [abd2ffe] Updated CHANGELOG.md
- [23dd61d] Elastic builder (#721)
- [435a19a] More linting
- [05b74e5] Fix wflow dep
- [903f28f] Fix linting wflow
- [dd20f1f] Automated dependency upgrades (#723)
- [43e25b2] Pre-commit linting
- [b71efd6] Remove codespell
- [4a6047c] Updated CHANGELOG.md
- [010d8c8] Optimade builder (#722)
- [24009de] Automated dependency upgrades (#720)
- [7f2ed51] correct import of EmmetSetting (#716)
- [6824b6e] Updated CHANGELOG.md
- [f6b5fee] Automated dependency upgrades (#718)
- [42bee4d] Updated CHANGELOG.md
- [8681520] Change type of epsilon_* (#719)
- [bec46aa] upgrade dependencies for deployment
- [f746114] upgrade dependencies for deployment
- [6c539ce] Automated dependency upgrades (#715)
- [32ce1f9] Updated CHANGELOG.md
- [46c619c] Add second PBEsol enum variant (#714)
- [2329480] api: print commands in start.sh
- [2289aff] Automated dependency upgrades (#713)
- [31ceb14] Updated CHANGELOG.md
- [48d7de3] Fix obtaining origin data in summary builder (#711)
- [935084a] bump python image 3.1010.2
- [2aa16c0] upgrade dependencies for deployment
- [401ad4f] Automated dependency upgrades (#710)
- [c67090f] Updated CHANGELOG.md
- [beb7524] Fix core nesting (#709)
- [d80071e] upgrade dependencies for deployment
- [184b9ea] Automated dependency upgrades (#699)
- [9c0a9a0] Updated CHANGELOG.md
- [1aa9a24] Fix molecules and materials route nesting (#707)
- [1ecf290] Updated CHANGELOG.md
- [19b153b] Task doc validation changes (#705)
- [513ef4c] upgrade dependencies for deployment
- [d921376] Updated CHANGELOG.md
- [4f06660] Chemenv additions (#703)
- [b58b745] upgrade dependencies for deployment
- [705c319] Updated CHANGELOG.md
- [8c60027] Restructure the Materials Project [WIP] (#698)
- [7b246af] upgrade dependencies for deployment
- [31696f4] upgrade dependencies for deployment
- [209c26f] Automated dependency upgrades (#694)
- [85f9db7] Updated CHANGELOG.md
- [9778756] Default to calcs_reversed structure in valid (#697)
- [0c6f45e] Updated CHANGELOG.md
- [2682d3d] Origin data audit (#696)
- [a452bb0] upgrade dependencies for deployment
- [920edf8] Updated CHANGELOG.md
- [7c3273d] Update MoleculeMetadata (#691)
- [4dd237b] Updated CHANGELOG.md
- [7894414] Add ddb source to sound velocity builder (#690)
- [12634e9] Fix ddb data pulling (#689)
- [f332e4d] Updated CHANGELOG.md
- [7535de4] Fix sound velocity and add prechunking to builder (#688)
- [39cb74f] rm emmet-core pin
- [fc06393] Dockerfile: cp material/mpcule_resources.py
- [b298ec0] Dockerfile: libopenblas-dev libjpeg62
- [13467e8] upgrade dependencies for deployment
- [3c2fdd0] Automated dependency upgrades (#687)
- [c92ec00] explicitly pin emmet-core
- [23717ed] upgrade dep: backtracking resolver
- [06c9744] upgrade dependencies for deployment
- [ca79271] bump python image 3.1010.1
- [a4e3034] Automated dependency upgrades (#685)
- [c033ef4] upgrade dependencies for deployment
- [762cf2c] upgrade dependencies for deployment
- [0bbf855] bump python image 3.1010.0
- [e656c11] upgrade dependencies for deployment
- [3cec3df] Automated dependency upgrades (#683)
- [0a8a2da] upgrade dep: branch merge doesn't need python
- [325a866] Merge branch 'main' of github.com:materialsproject/emmet into main
- [8e319dd] cli: minor fixes for tasks.parsers
- [d99d226] Updated CHANGELOG.md
- [dd66ed1] Ensure
material_id
is in robocrys return data (#682) - [edb682e] cli: deal with reorg in tasks.backups
- [15f33fb] Updated CHANGELOG.md
- [27554a7] added entry_id mapping for reaction reactants and products (#675)
- [6642acc] Automated dependency upgrades (#678)
- [052790f] upgrade dependencies for deployment
- [33fee8b] Updated CHANGELOG.md
- [ba26f99] Fix phonon prechunking (#681)
- [682fff8] Merge branch 'main' of github.com:materialsproject/emmet into main
- [a1663f7] cli: add tasks.parsers command
- [9da8372] Updated CHANGELOG.md
- [83b9b95] Merge branch 'main' of github.com:materialsproject/emmet into main
- [c929714] cli: try to resolve/cp symlinks first
- [7e94661] cli: more efficient next_tid
- [0b291b5] Add prechunking to phonon builder (#680)
- [a4e118b] cli: rm launchers not files
- [009c28b] cli: don't return warning for no launchers found
- [637c6a7] cli: fix typo
- [cb793b2] cli: better comment format
- [e4ac2ee] cli: new tasks.backups command
- [6335b43] Updated CHANGELOG.md
- [0a7fa56] Use calcs_reversed data when available for params (#679)
- [576bf55] cli: catch insertion exception
- [9f33e7b] cli: use -L to create htar archive
- [f333fae] cli: forward VaspDrone runs config to parse
- [192e27b] cli: catch task-id not set error
- [5f8655d] cli: catch EndpointConnectionError for MinIO
- [77b1d81] cli: parse all volumetric data by default
- [6bd7d61] upgrade dependencies for deployment
- [537f102] Updated CHANGELOG.md
- [09420d3] Merge atomate2 taskdoc (#676)
- [0b07425] Updated CHANGELOG.md
- [9cbab16] Automated dependency upgrades (#677)
- [a974000] Fix mypy core issues
- [81eaaff] upgrade dependencies for deployment
- [ef7d3fe] Expanded MPcule API (#674)
- [28dac94] bump python image 3.916.5
- [9850608] upgrade dependencies for deployment
- [23fc658] Automated dependency upgrades (#672)
- [9cb7796] upgrade dependencies for deployment
- [841f05e] Updated CHANGELOG.md
- [229a1b1] Utils to static (#673)
- [06796ff] upgrade dependencies for deployment
- [822196d] Updated CHANGELOG.md
- [a1e7baf] Include molecule endpoints in app.py (#671)
- [0397eac] Updated CHANGELOG.md
- [27727cd] Supress warning about transmuter in materials (#670)
- [2e355b4] Updated CHANGELOG.md
- [48e0f7b] Rename phonon input collection (#669)
- [67d5603] bump python image 3.916.2
- [91164b6] upgrade dependencies for deployment
- [a4ee045] Automated dependency upgrades (#665)
- [480a78b] upgrade dependencies for deployment
- [fecfdb8] Updated CHANGELOG.md
- [413378c] [WIP] Fix multi-solvent MPcule building (#664)
- [f66e46e] Updated CHANGELOG.md
- [0319ec9] Add thermo type consideration to alloy builder (#663)
- [615a62b] Updated CHANGELOG.md
- [3a2e585] [WIP] - MPcule API (#645)
- [7d76516] Updated CHANGELOG.md
- [9ba6350] Add 3.11 to pytest test matrix (#661)
- [298b208] Automated dependency upgrades (#662)
- [00b29ea] Fix mypy
- [4891685] Add python 3.11 to dependency wflow
- [7e8896a] Updated CHANGELOG.md
- [87ddd9f] Add chemenv and absorption API endpoints (#660)
- [bcbed57] upgrade dependencies for deployment
- [b69c6b8] Automated dependency upgrades (#653)
- [f8077d9] cli: always gzip files
- [5c0e543] cli: add mol.qin as dir type
- [e299393] Updated CHANGELOG.md
- [944df5f] Conversion Electrode Builder (#597)
- [3a4bef7] Updated CHANGELOG.md
- [9f57061] Automated dependency upgrades (#652)
- [1f4ee5b] Only enable linux testing
- [9157120] Fix openbabel install in test workflow (#650)
- [8ca7d5d] Automated dependency upgrades (#649)
- [032d752] Unpin numpy in emmet-api
- [831bd30] Unpin numpy
- [65db8bb] Limit corrected entries and thermo (#644)
- [5ff41fa] Molecules update (#440)
- [aecefdd] Automated dependency upgrades (#642)
- [5909d01] upgrade dependencies for deployment
- [91e7bf6] Add deepcopy to entries in corrected_entries (#641)
- [ec0984e] Force thermo builder to use max chemsys
- [a022601] Add max chemsys option to thermo (#640)
- [7629f7b] Lower on push release action version
- [77483b9] Fix order of R2SCAN entry retrieval (#638)
- [a07bda7] upgrade dependencies for deployment
- [8301401] Automated dependency upgrades (#639)
- [da7c08c] upgrade dependencies for deployment
- [a146d58] Fix doc build action
- [bfced4b] Make thermo last updated correspond to build time (#636)
- [871e02b] Fix thermo doc updating (#635)
- [9737617] upgrade dependencies for deployment
- [e30a5bc] Automated dependency upgrades (#634)
- [0cd4cca] Bump maggma
- [ecc8555] Add last updated checking to corrected and thermo (#632)
- [2765fdd] New
CorrectedEntriesBuilder
andThermoBuilder
changes (#631) - [12d8301] upgrade dependencies for deployment
- [17bad22] Automated dependency upgrades (#630)
- [1a18502] upgrade dependencies for deployment
- [9fc8037] Automated dependency upgrades (#629)
- [e899aea] Bump maggma
- [e15b669] Automated dependency upgrades (#628)
- [0c0c240] Bump maggma
- [70ef25a] upgrade dependencies for deployment
- [4ab83cd] upgrade dependencies for deployment
- [a0c2cc8] upgrade dependencies for deployment
- [2c490df] bump python image 3.915.9
- [c452182] upgrade dependencies for deployment
- [645d401] Automated dependency upgrades (#625)
- [25d692f] bump python image 3.915.8
- [df0094a] upgrade dependencies for deployment
- [591a04d] Automated dependency upgrades (#623)
- [6ce7212] Bump maggma
- [939087f] bump python image 3.915.7
- [5fc99a4] upgrade dependencies for deployment
- [b6b4f9f] Automated dependency upgrades (#621)
- [a017f67] upgrade dependencies for deployment
- [ceb8ba2] Automated dependency upgrades (#619)
- [ac27e06] Bump maggma
- [fabf0b6] cli: fix import
- [b286cc0] Automated dependency upgrades (#617)
- [e40c251] Bump maggma
- [0d78a62] Unpin openbabel
- [39521f8] Pin openbabel to fix dep version
- [d285cb2] emmet-core/setup.py remove upward pin of pymatgen + monty to below 2023.0 (#616)
- [fdcc891] upgrade dependencies for deployment
- [6c82e3a] cli: add VASP validation during parse
- [fe503f7] cli: track already in HPSS during backup
- [7daa093] cli: github3.authorize not supported anymore, mv mp_logging
- [e3d66fb] Pin numpy in emmet-core
- [c00e7e7] Numpy < 1.24
- [a510e1c] Automated dependency upgrades (#613)
- [869ec52] upgrade dependencies for deployment
- [bbe7e38] upgrade dependencies for deployment
- [2e1bac1] upgrade dependencies for deployment
- [935f366] Automated dependency upgrades (#612)
- [287db94] upgrade dependencies for deployment
- [8399d34] upgrade dependencies for deployment
- [d82dd9a] Automated dependency upgrades (#611)
- [a588cb3] upgrade dependencies for deployment
- [aa5a033] Automated dependency upgrades (#610)
- [a2d057d] Bump maggma
- [11127aa] Automated dependency upgrades (#609)
- [0a13f80] upgrade dependencies for deployment
- [6cd42ac] Automated dependency upgrades (#608)
- [36f22b8] fixing "Optic" TaskType (#592)
- [03eb343] Tolerance change no.2 (#574)
- [632bfe1] Disable sort disk use in for s3 endpoints (#607)
- [3fab9ba] upgrade dependencies for deployment
- [0131016] Automated dependency upgrades (#606)
- [c823fcf] upgrade dependencies for deployment
- [01fae81] Automated dependency upgrades (#605)
- [c8e7373] upgrade dependencies for deployment
- [4f0e094] Automated dependency upgrades (#604)
- [a969557] Automated dependency upgrades (#601)
- [0d5c325] Bump maggma with api disk addition (#602)
- [b91e5bb] upgrade dependencies for deployment
- [30e93e6] upgrade dependencies for deployment
- [0512355] Automated dependency upgrades (#600)
- [dff67cc] Updated phonon builder (#599)
- [38d26fe] upgrade dependencies for deployment
- [bb3ccc4] Automated dependency upgrades (#598)
- [e6ea3b5] upgrade dependencies for deployment
- [d7dd596] ChemEnv only when oxidation states exist (#596)
- [88358bc] use deployment req file
- [ba68fdd] upgrade dependencies for deployment