v0.3.6

Version 0.3.6

Commits

• [f1104b7] Merge pull request #213 from materialsproject/final-run-type-bug
• [44f00f4] can't project item in array, just sub keys
• [2a95a18] Add warning for run type utility
• [9109d4a] get around bad serialization loop
• [3c419b7] ensure run_type is tested in builders and doc model
• [2c2b5a5] update test tasks to include all fields
• [a8a0fe3] Update setup.py
• [a21d9bd] Update maggma version
• [c1ff558] Updated CHANGELOG.md

v0.3.5

Version 0.3.5

Commits

• [319e9df] Merge pull request #212 from materialsproject/fix-more-run-type
• [23553ef] fix issue of bad LDAU fields in vasprun parameters
• [079899e] fix test name
• [b329e03] update test task to have "input" keys
• [dd5e409] project right parameters in validation builders
• [16d58b3] ensure calc_type is using the same parameters
• [4261c1a] Updated CHANGELOG.md

v0.3.4

Version 0.3.4

Commits

• [36aa7f4] Merge pull request #211 from materialsproject/shyamd-patch-2
• [4a53906] project right parameters in builders
• [e427021] linting
• [4f534e2] reference the correct calculation in run_type
• [80b088d] Merge pull request #210 from materialsproject/dependabot/pip/emmet-core/pymatgen-2022.0.9
• [b50bba5] Bump pymatgen from 2022.0.8 to 2022.0.9 in /emmet-core

v0.3.3

Version 0.3.3

Commits

• [92a18b9] Merge pull request #209 from materialsproject/shyamd-patch-1
• [94e7341] remove stale requirement
• [055ff96] remove stale bson requirement
• [b4d6561] Updated CHANGELOG.md

v0.3.2

Version 0.3.2

Commits

• [d8e6010] Merge pull request #206 from munrojm/main
• [570f07a] Updated CHANGELOG.md

v0.3.1

Version 0.3.1

Commits

• [87135f5] Merge pull request #207 from materialsproject/shyamd-deprecated
• [e2155a6] Fix linting issues
• [72f4b7f] use deprecated calcs in MaterialsBuilder
• [c636258] Updated CHANGELOG.md

v0.3.0

Version 0.3.0

Commits

• [ae3c8c8] Merge pull request #205 from materialsproject/release-emmet-builders
• [01e2a8d] add builders to release process
• [2bc6ce1] use task_id instead of calc_id
• [7031486] fix property name type
• [6d56709] stale copy over from prior to refactoring
• [362c704] typo
• [eedfdcd] convert to appropriate query_ones
• [25eddaa] fix copy logic
• [b452616] fix stale imports
• [50c6042] relax python 3.9 for now
• [f228b48] have to prefix matrix
• [91abca9] include python version in testing matrix
• [bb441f9] fix mypy issues
• [3e0dcf6] swithc python version to 3.8
• [a545903] use searchDoc from_docs
• [aafdd75] put generation code in search doc
• [c634766] start testing builders

v0.2.4

Version 0.2.4

Commits

• [16cc016] Merge pull request #203 from materialsproject/revert_mat_finding
• [39cb46c] hard prefer static over structure opts
• [93f2463] only use structure opt for mpid
• [6d6425f] trigger after normal tests
• [06fce38] use PAT to trigger release workflow

v0.2.3

Version 0.2.3

Commits

• [3634420] Merge pull request #201 from materialsproject/fix-oxidation
• [21df762] fix MPID
• [56dec98] fix tests
• [0f3307d] fix mypy directive outside of function call
• [744fde9] fix mypy issues
• [2ddf348] clean up
• [72daa73] add descriptions and fix types
• [b738071] Use PR labels to generate releases
• [0e57b9b] quote delayed type hint
• [4a1ee8a] fix indent error
• [0a09433] fix docs build
• [c236849] fix class var name clash
• [0071e38] include run_types yaml in distro
• [fa5f834] style clean up
• [1d187e6] Merge pull request #199 from materialsproject/reconcile
• [cb293cd] fix bad structures into oxidation doc test
• [fabbe34] catch warnings from compatability
• [2994cb4] fix counting of chemsys to process
• [03d3512] fix minor conversion bugs
• [8bc1999] add unrecognized task_type
• [ddf6fa1] mark when ismear differs
• [30ce56a] formatting bug
• [b119add] fix misc bugs
• [d7cab8a] update builder names
• [00e4cce] clean up
• [9e47131] compatability will select run_type
• [801f920] add oxidation state builder
• [0791b3b] reraise exception if failure
• [aad5eeb] clean up
• [e74f55f] remove vestige of sandbox
• [d0fc435] jsanitize in process to not bog down main process
• [08db446] add prechunk to thermo and materials
• [870dad4] Add oxidation states to thermo builder
• [8585077] remove deprecation from core since its in builders
• [0210fc2] speed up PD construction
• [97e7fee] Merge branch 'main' into reconcile
• [9082fc4] Merge pull request #198 from materialsproject/oxidation_states
• [4921d69] use defaultdict to average oxidation statees
• [68143e7] udpate name to Doc
• [42bbab2] new oxidation state doc
• [cfc7176] update test since default for use_statics is now True
• [a590c4e] add warnings for kspacing and ismear
• [f929bf9] clean up imports
• [fc8a94c] move use_statics to settings
• [6a5daf4] switch default deprecated tags to setting
• [527c46b] add manual deprecation into validation
• [7bb7485] remove pydash from emmet-core
• [ff57868] add bson to requirements
• [7e85770] remove overlapping requiirements
• [b7f1bf9] remove maggma from emmet-core
• [1fd37d4] make MPID behave more like a string
• [f4e8ec6] fix pydantic type conversion
• [26efbd7] make MPID hashable
• [4f5f85d] Merge pull request #197 from materialsproject/xas
• [03592ab] relax version requirements for now
• [8f3edad] Merge pull request #194 from materialsproject/dependabot/pip/emmet-builders/pydantic-1.8.2
• [9990a50] Merge pull request #193 from materialsproject/dependabot/pip/emmet-core/pydantic-1.8.2
• [f82e423] manually cache since decorated properties not allowed
• [c7e03b9] Bump pydantic from 1.8.1 to 1.8.2 in /emmet-builders
• [c4a0631] Bump pydantic from 1.8.1 to 1.8.2 in /emmet-core
• [1708944] Merge pull request #195 from materialsproject/dependabot/pip/emmet-core/maggma-0.27.0
• [1e301d3] use 3.7 compliant lru_cache
• [3fd4f6b] Merge pull request #196 from materialsproject/dependabot/pip/emmet-core/pymatgen-2022.0.8
• [dcab926] fix some mypy issues
• [df1c926] move XAS logic into doc
• [90d8288] port over XAS generation into document model
• [feea925] Add FEFF Task Doc
• [1263f52] Bump maggma from 0.26.0 to 0.27.0 in /emmet-core
• [51bb0ae] Bump pymatgen from 2022.0.5 to 2022.0.8 in /emmet-core
• [fa66efe] Add Electronic structure and search components (#189)
• [cb97771] switch vasp task_doc to new base
• [88fcc26] add new task doc base
• [2a6b9c3] Merge pull request #186 from materialsproject/dependabot/pip/emmet-core/typing-extensions-3.10.0.0
• [bcbd95f] Bump typing-extensions from 3.7.4.3 to 3.10.0.0 in /emmet-core
• [51704ed] Merge pull request #192 from materialsproject/dependabot/pip/emmet-core/pymongo-3.11.4
• [c51b3c7] action default setup for dependabot
• [08e234c] Bump pymongo from 3.11.3 to 3.11.4 in /emmet-core
• [b9e815a] Merge pull request #191 from materialsproject/dependabot/pip/emmet-core/pymatgen-2022.0.8
• [0a5137a] Bump pymatgen from 2022.0.5 to 2022.0.8 in /emmet-core
• [76bc0e5] test min in a list
• [2c0bcb3] fix dynamic versions
• [f81e6e2] cli: add initial fs_id check (commented out)
• [f5f5913] cli: raise on --task-ids missing
• [14d968b] cli: fix pymatgen root imports
• [56f38b3] Merge pull request #182 from materialsproject/dependabot/github_actions/actions/setup-python-v2.2.2
• [f6fec73] fix mypy
• [3a8ffcb] pycodestyle checks are in flake8 now
• [8b567b6] fix linting
• [76ffb9f] Update MPID
• [15779d3] Fix validation for LDAU
• [cecb131] Fix #183 in jsanitize
• [7f8225f] only consider valid tags
• [3049926] Bump actions/setup-python from v2.2.1 to v2.2.2
• [b67fb41] Merge pull request #180 from materialsproject/dependabot/github_actions/peaceiris/actions-gh-pages-v3.8.0
• [8339d66] Bump peaceiris/actions-gh-pages from v3 to v3.8.0
• [ebcc50b] Merge pull request #178 from jmmshn/elec_dev
• [f2cdc2d] update
• [96d8fbe] deal with nan's
• [03b82b3] update
• [922e93f] updated to be more useful for the API
• [f188b9c] num_steps should be int
• [fb4e0f4] bumped pymatgen
• [28c99cd] bumped pymatgen
• [58b003a] linting
• [1e6d146] typo
• [4ca23cc] allowed sorting by working ion and symmetry.
• [6c891c2] added progress
• [7070bb2] print warning for missing thermo docs
• [402009b] changed default in grouper from -1 back to None
• [2e40a59] changed default in grouper from -1 back to None
• [76ae6a9] fixed typos
• [b60548a] more useful fields
• [c07a7db] num steps int
• [60cfdcd] added elements
• [7dcc4a5] comma
• [d223208] indent
• [d4029e3] working electrode builder
• [b764db4] Merge branch 'elec_dev' of https://github.com/jmmshn/emmet into elec_dev
• [964b05a] fix
• [c0bc566] Merge branch 'elec_dev' of https://github.com/jmmshn/emmet into elec_dev
• [a1edee4] un-mappified builder
• [267e8cf] Merge branch 'elec_dev' of https://github.com/jmmshn/emmet into elec_dev
• [22bdcbf] electrode builder
• [77803b2] update
• [42f05a4] Merge branch 'elec_dev' of https://github.com/jmmshn/emmet into elec_dev
• [3a38e6f] added endpoint ids
• [0549d11] changed group id name
• [bed1f90] Merge branch 'elec_dev' of https://github.com/jmmshn/emmet into elec_dev
• [5f47940] added material ides to the document model
• [2139c36] Merge remote-tracking branch 'origin/main' into elec_dev
• [f2c8a87] fixed query for chemsys
• [30566da] fix linting issues
• [c45f448] use conventional standard structure from VASP
• [ae63060] fix missing test file
• [aaa3942] fix import
• [60cdfdd] Merge pull request #177 from jmmshn/thermo_fixes
• [026bc42] Update emmet-core/emmet/core/vasp/material.py
• [1747828] bug fixes
• [37016f7] Merge pull request #176 from materialsproject/provenance_builder
• [15284a9] fixed get electrode docs back
• [d7c8362] pymatgen 2022
• [35e1669] blk
• [ede2654] blk
• [28e0267] revert
• [30101e6] revert to mp_master
• [6503dcc] Merge branch 'elec_dev' into main
• [b5e2c79] changed pymatgen verion
• [1f74700] Merge branch 'elec_dev' of https://github.com/jmmshn/emmet into elec_dev
• [4f5a0f6] return nothing
• [4acf5cc] fixes
• [13d21b1] updated error message
• [64d3dc8] updated error message
• [aa6692c] updated error message
• [6cee3ff] changed task_id -> material_id
• [d4b4d4e] Merge branch 'main' into elec_dev
• [f72d37f] Merge remote-tracking branch 'jmmshn/main' into main
• [29bb3db] delete spaces
• [7beca8c] wip
• [c23b77b] combined all electrode builders into one file
• [0784751] revert mypy version
• [7dd33fd] working insertion electrode builder
• [9cdf1db] update mypy
• [0df27eb] fix linting
• [1fc3845] revert behavior and change in self-contained PR
• [e3209b9] Fix linting problems
• [5598061] Add provenance builder
• [2783258] Merge branch 'main' into provenance_builder
• [cfd90d7] hot patch for imports
• [618824a] Add provenance settings to build settings
• [f8efbac] clean up
• [637945c] test for provenance from SNLs
• [2be2b1a] Merge pull request #175 from jmmshn/main
• [cea55df] remove stale file
• [528c508] Add method to convert from SNLs
• [c6f415e] add to provenance document
• [bb29757] cli: adjust length of arguments list
• [508c2f7] Merge branch 'main' of https://github.com/jmmshn/emmet into main
• [5f937f3] relaxed enforced typing of input
• [3410530] relaxed enforced typing of input
• [a79b2a4] Add back query to task_validator
• [9a082bc] Merge pull request #174 from materialsproject/settings_update
• [f51232a] linting fixes
• [0bb5b8d] use autoload in builders
• [ee07aaf] hotpatch monty serialization
• [15e5c28] ensure settings can be serialized
• [d15c7c0] remove old metadata
• [23c1d41] add Kspacing to validation
• [ed03f2b] cli: allow restoral of entire blocks
• [1e46dca] cli: remove duplicate tags during parsing
• [3940d01] Bump pymongo from 3.11.2 to 3.11.3 in /emmet-core
• [8392b93] Bump pydantic from 1.7.3 to 1.8.1 in /emmet-core
• [a059d2b] update provenance doc structure
• [c7f8d1d] default bson_compatible types
• [147ab91] clean up
• [af1fb2f] use builder settings
• [7bb81a6] Add builder settings
• [a85acb0] Move more build settings into EmmetBuildSettings
• [07c42a5] use structure_calcs throughout
• [69be808] fix bad import
• [3ed324a] Merge pull request #170 from jmmshn/thermo_fix
• [1b8188f] cli: add snl_metas option for parsing
• [1688542] Merge branch 'master' into thermo_fix
• [c494ba7] cleanup
• [c48bdd7] Merge branch 'thermo_fix'
• [a32f191] serializable builder
• [598cf90] cli: add ntries option for number of jobs
• [18074c0] cli: add reorg flag
• [9c6fe228] cli: also allow res/aflow prefixes
• [89801d1] cli: protect task_type import error
• [b123e8a] fixed validation and setting
• [30142b5] Merge branch 'main' into thermo_fix
• [1128378] Merge branch 'master' into thermo_fix
• [336f269] validator checked
• [9156312] changed electrode back
• [ab3b374] Merge remote-tracking branch 'materialsproject/main' into main
• [28638e4] wor...

Misc bug fixes

v0.2.2

quote delayed type hint