Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / arosen93/quacc issues and pull requests

#328 - Remaining 0.1.0 updates

Pull Request - State: open - Opened by arosen93 over 1 year ago - 1 comment

#327 - Increase test coverage

Pull Request - State: closed - Opened by arosen93 over 1 year ago - 1 comment

#326 - remove unused imports

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#325 - Create improved schemas for vib and thermo jobs

Pull Request - State: closed - Opened by arosen93 over 1 year ago - 1 comment

#324 - Sourcery AI fixes

Pull Request - State: closed - Opened by arosen93 over 1 year ago

#323 - Sourcery refactored main branch

Pull Request - State: closed - Opened by sourcery-ai[bot] over 1 year ago

#322 - Sourcery refactored develop branch

Pull Request - State: closed - Opened by sourcery-ai[bot] over 1 year ago

#321 - Sourcery refactored main branch

Pull Request - State: closed - Opened by sourcery-ai[bot] over 1 year ago

#320 - Bump furo from 2023.03.27 to 2023.5.20

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#319 - Bump maggma from 0.50.4 to 0.51.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#318 - Run Sourcery AI to refactor

Pull Request - State: closed - Opened by arosen93 over 1 year ago - 1 comment

#317 - Improve DB handling

Pull Request - State: closed - Opened by arosen93 over 1 year ago

#316 - Clarify README and docs

Pull Request - State: closed - Opened by arosen93 over 1 year ago

#315 - merge collapsible `if` statements

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#314 - Update Python version badge

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: documentation

#313 - Covalent UI fixes

Pull Request - State: closed - Opened by arosen93 over 1 year ago

#312 - Covalent UI is not accessible

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: bug

#311 - Covalent updates

Pull Request - State: closed - Opened by arosen93 over 1 year ago

#310 - Update `.gitignore`

Pull Request - State: closed - Opened by arosen93 over 1 year ago

#309 - Fix license description on README

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: documentation

#308 - Prep for Quacc 0.1.0

Pull Request - State: closed - Opened by arosen93 over 1 year ago

#307 - Scan `.git` for large files

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: housekeeping

#306 - Clarify the output schemas with improved docstrings

Pull Request - State: closed - Opened by arosen93 over 1 year ago
Labels: documentation, housekeeping

#305 - format code with black, prettier and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#304 - format code with black, prettier and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#303 - format code with black, prettier and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#302 - Clean up API Reference section of docs

Issue - State: open - Opened by arosen93 over 1 year ago
Labels: documentation

#301 - format code with black, prettier and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#300 - format code with black, prettier and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#299 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#298 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#297 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#296 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#295 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#294 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#293 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#292 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#291 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#290 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#289 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#288 - Add new options to `settings.py`

Issue - State: open - Opened by arosen93 over 1 year ago
Labels: enhancement

#287 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#286 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#285 - remove unnecessary f-string

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#284 - remove unused imports

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#283 - remove commented out code

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#282 - remove redundant `None` default

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#281 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#280 - Bump custodian from 2023.5.7 to 2023.5.12

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#279 - format code with prettier, black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#278 - Fix spotty Covalent errors in parallel runs

Issue - State: open - Opened by arosen93 over 1 year ago - 1 comment
Labels: bug

#277 - cclib task document is missing the `molecule` field

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: bug

#276 - Clarify the entries that are in each task document from `summarize_run`

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: documentation

#275 - Bump sphinx from 6.2.1 to 7.0.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#274 - Bump emmet-core from 0.55.0 to 0.55.2

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#273 - Speed up GitHub actions

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: housekeeping, help-wanted

#272 - Bump emmet-core from 0.55.0 to 0.55.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#270 - Fix mypy issues for more accurate typehinting

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: wontfix, housekeeping

#269 - Make data types for summaries

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: housekeeping

#268 - Bump emmet-core from 0.54.5 to 0.55.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#267 - Bump custodian from 2023.5.7 to 2023.5.12

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#266 - Bump emmet-core from 0.54.4 to 0.54.5

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#265 - Bump pymatgen from 2023.5.8 to 2023.5.10

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#264 - Bump emmet-core from 0.54.3 to 0.54.4

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#263 - Bump emmet-core from 0.54.2 to 0.54.3

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#262 - Bump pymatgen from 2023.3.23 to 2023.5.8

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#261 - Bump monty from 2023.4.10 to 2023.5.8

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#260 - Bump custodian from 2023.3.10 to 2023.5.7

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#259 - Bump emmet-core from 0.54.1 to 0.54.2

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#258 - format code with black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#257 - format code with black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#256 - Add support for sella

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: enhancement

#255 - Bump ipython from 8.13.1 to 8.13.2

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#254 - Bump emmet-core from 0.53.0 to 0.54.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#253 - Bump sphinx from 6.2.1 to 7.0.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 2 comments
Labels: dependencies

#252 - Bump ipython from 8.13.0 to 8.13.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#251 - Bump emmet-core from 0.52.1 to 0.53.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#250 - Fix PyPI release system

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: housekeeping, help-wanted

#249 - Bump ipython from 8.12.0 to 8.13.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#248 - Bump sphinx from 6.2.0 to 6.2.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#247 - Bump emmet-core from 0.52.0 to 0.52.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#246 - Bump sphinx from 6.1.3 to 6.2.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#245 - [WIP] Update Quacc to v0.1.0

Pull Request - State: closed - Opened by arosen93 over 1 year ago
Labels: documentation, enhancement, dependencies, housekeeping

#244 - Standardize QuAcc vs. Quacc vs. quacc

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: housekeeping

#243 - Bump emmet-core from 0.51.13 to 0.52.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#242 - Generalize Quacc to work with Covalent in addition to Jobflow+FireWorks

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: enhancement

#241 - Bump pytest from 7.3.0 to 7.3.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#240 - Add ML optimization algos

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: enhancement, wontfix

#239 - Bump emmet-core from 0.51.12 to 0.51.13

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#238 - Clean up docs

Issue - State: closed - Opened by arosen93 over 1 year ago
Labels: documentation

#237 - Bump emmet-core from 0.51.11 to 0.51.12

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#236 - Format code with black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#235 - Format code with black and isort

Pull Request - State: closed - Opened by deepsource-autofix[bot] over 1 year ago

#234 - Bump pytest from 7.2.2 to 7.3.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#233 - Occasional trajectory decoding error

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: bug, cant-reproduce

#232 - The license and code of conduct are duplicated

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: wontfix, housekeeping

#231 - Fix contributors page

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: housekeeping

#230 - Discrepancy in `xtb-python` vibrational modes

Issue - State: closed - Opened by arosen93 over 1 year ago - 1 comment
Labels: bug