Ecosyste.ms: Issues

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GitHub / jacksund/simmate issues and pull requests

#372 - Update pytest to 7.2.2 ๐Ÿค–

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#371 - Update distributed to 2023.2.0 ๐Ÿค–

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#370 - Update rich to 13.2.1 ๐Ÿค–

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#369 - input files and ci updates ๐Ÿ”ฅ

Pull Request - State: closed - Opened by jacksund almost 2 years ago

#368 - refactor str to type util ๐Ÿงถ

Pull Request - State: closed - Opened by jacksund almost 2 years ago

#367 - add sol static and fix broken doc links :books:

Pull Request - State: closed - Opened by SWeav02 almost 2 years ago - 5 comments

#365 - add PBEsol and HSEsol workflows ๐ŸŽ†

Pull Request - State: closed - Opened by SWeav02 almost 2 years ago - 2 comments

#364 - psycopg2 timeouts

Issue - State: closed - Opened by scott-materials almost 2 years ago - 13 comments
Labels: bug, enhancement

#363 - bump min version for typer ๐Ÿ

Pull Request - State: closed - Opened by jacksund almost 2 years ago

#362 - Update coverage to 7.0.6 :robot:

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#361 - Update rich to 13.1.1 :robot:

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#360 - Update mp-api to 0.30.7 :robot:

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#359 - Update isort to 5.11.5 :robot:

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#358 - Update plotly to 5.13.0 :robot:

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#357 - move clease to optional dep ๐Ÿ‘‹

Pull Request - State: closed - Opened by jacksund almost 2 years ago

#356 - add mamba options and deps ๐Ÿ

Pull Request - State: closed - Opened by jacksund almost 2 years ago

#355 - Rename workflow engine module ๐Ÿš—

Pull Request - State: closed - Opened by jacksund almost 2 years ago

#354 - Migrate to app-based organization ๐ŸŽ

Pull Request - State: closed - Opened by jacksund almost 2 years ago - 1 comment

#353 - Update mkdocstrings-python to 0.8.4 ๐Ÿค–

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#352 - Update scikit-learn to 1.2.1 ๐Ÿค–

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#351 - Update coverage to 7.0.5 ๐Ÿค–

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#349 - NEB error handlers

Issue - State: closed - Opened by becca9835 almost 2 years ago
Labels: bug

#343 - NEB can't find CONTCAR when ionic convergence fails

Issue - State: closed - Opened by scott-materials almost 2 years ago
Labels: bug

#341 - Loading OQMD database fails for structures with >10 elements

Issue - State: closed - Opened by scott-materials almost 2 years ago - 2 comments
Labels: bug, partial fix added

#340 - New workflow for climbing image NEB

Issue - State: closed - Opened by scott-materials almost 2 years ago - 3 comments
Labels: enhancement

#339 - typer missing in deps

Issue - State: closed - Opened by jacksund almost 2 years ago
Labels: bug

#334 - Low-quality POTCAR mappings

Issue - State: closed - Opened by scott-materials almost 2 years ago - 3 comments
Labels: bug

#333 - Installing simmate quickly with mamba or pip

Issue - State: closed - Opened by jacksund almost 2 years ago - 4 comments
Labels: documentation, dependencies

#323 - Update pymatgen to <2022.11.8 :robot:

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies

#322 - fix idpp sorting bug :butterfly:

Pull Request - State: closed - Opened by jacksund about 2 years ago

#316 - add RMC application :recycle:

Pull Request - State: open - Opened by jacksund about 2 years ago

#309 - Evo search hangs for singleshot zombies

Issue - State: closed - Opened by jacksund about 2 years ago
Labels: bug

#302 - add python 3.11 support :snake:

Pull Request - State: closed - Opened by jacksund about 2 years ago - 1 comment

#301 - Add python 3.11 support

Issue - State: closed - Opened by jacksund about 2 years ago
Labels: enhancement

#296 - add deepmd workflow :ocean:

Pull Request - State: open - Opened by sionab about 2 years ago - 5 comments

#153 - Ease database updates between versions

Issue - State: closed - Opened by jacksund over 2 years ago - 2 comments
Labels: enhancement, partial fix added

#149 - Register custom app urls to website

Issue - State: closed - Opened by jacksund over 2 years ago
Labels: bug, enhancement, good first issue, partial fix added

#103 - ERROR in diagonalization PDSYEVX/ PZHEEVX: IFAIL=

Issue - State: closed - Opened by sionab over 2 years ago - 4 comments
Labels: bug