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@munrojm munrojm released this 21 Nov 20:11
v0.74.0
6322d74
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Version 0.74.0

Commits

  • [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)
  • [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)
Assets 2
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