Ecosyste.ms: Issues

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GitHub / ml-evs/matador issues and pull requests

#347 - Build(deps): update nglview requirement from ~=3.0 to ~=3.1

Pull Request - State: open - Opened by dependabot[bot] 8 months ago
Labels: dependency_updates

#346 - Build(deps): update jinja2 requirement from ~=3.1.2 to ~=3.1.3

Pull Request - State: open - Opened by dependabot[bot] 8 months ago
Labels: dependency_updates

#345 - Build(deps): update scipy requirement from ~=1.7 to ~=1.12

Pull Request - State: open - Opened by dependabot[bot] 8 months ago
Labels: dependency_updates

#344 - Build(deps): bump codecov/codecov-action from 3 to 4

Pull Request - State: open - Opened by dependabot[bot] 8 months ago
Labels: CI

#343 - Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.6

Pull Request - State: open - Opened by dependabot[bot] 9 months ago
Labels: dependency_updates

#342 - Build(deps): bump actions/setup-python from 4 to 5

Pull Request - State: open - Opened by dependabot[bot] 9 months ago
Labels: CI

#341 - Build(deps): bump actions/checkout from 3 to 4

Pull Request - State: open - Opened by dependabot[bot] 10 months ago
Labels: CI

#340 - Add support for pymongo 4

Pull Request - State: closed - Opened by ml-evs 11 months ago

#339 - Build(deps): update pymongo requirement from ~=3.11 to ~=4.6

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#338 - Build(deps): update seekpath requirement from ~=2.0 to ~=2.1

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#337 - Build(deps): update pytest-cov requirement from ~=4.0 to ~=4.1

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#336 - Build(deps): update tqdm requirement from ~=4.62 to ~=4.66

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#335 - Build(deps): update requests requirement from ~=2.28 to ~=2.31

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#334 - Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.5

Pull Request - State: closed - Opened by dependabot[bot] 11 months ago - 1 comment
Labels: dependency_updates

#333 - Build(deps): update scipy requirement from ~=1.7 to ~=1.11

Pull Request - State: closed - Opened by dependabot[bot] 11 months ago - 1 comment
Labels: dependency_updates

#332 - Build(deps): update matplotlib requirement from <3.6,>=3.0 to >=3.0,<3.9

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#331 - Build(deps): update networkx requirement from ~=2.6 to ~=3.2

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#330 - Build(deps): update nbsphinx requirement from ~=0.8 to ~=0.9

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#329 - Build(deps): update numpy requirement from <1.24,>=1.22 to >=1.22,<1.27

Pull Request - State: open - Opened by dependabot[bot] 11 months ago
Labels: dependency_updates

#328 - Refresh some dependencies for the 21st century

Pull Request - State: closed - Opened by ml-evs 11 months ago

#327 - Unpin dependencies entirely

Issue - State: open - Opened by ml-evs 11 months ago

#326 - Update chemical potential for temperature dependent convex hulls

Pull Request - State: open - Opened by JPDarby 11 months ago

#325 - Additional tweaks to magres plotting

Pull Request - State: open - Opened by ml-evs 12 months ago

#324 - Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.1

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

#323 - Build(deps): update sphinx-rtd-theme requirement from ~=1.0 to ~=1.2

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

#322 - Build(deps): update matplotlib requirement from <3.6,>=3.0 to >=3.0,<3.8

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

#321 - Build(deps): update nbval requirement from ~=0.9 to ~=0.10

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

#320 - Build(deps): update scipy requirement from ~=1.7 to ~=1.10

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

#319 - Build(deps): update networkx requirement from ~=2.6 to ~=3.0

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

#318 - Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=3.0

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

#317 - Build(deps): update pymatgen requirement from <2023,>=2022 to >=2022,<2024

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

#316 - Suggestion: Colour plots by property

Issue - State: open - Opened by benedictsaunders over 1 year ago - 1 comment
Labels: suggestion

#315 - Scrape constrained and normal forces separately from CASTEP files

Pull Request - State: closed - Opened by JordD04 over 1 year ago

#314 - Automate release procedure in CI

Issue - State: open - Opened by ml-evs over 1 year ago
Labels: build

#313 - v0.10.1 release prep

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

#311 - Build(deps-dev): update pre-commit requirement from ~=2.20 to ~=2.21

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

#310 - Build(deps): update sphinx-argparse requirement from ~=0.3 to ~=0.4

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

#309 - Build(deps): update sphinx-rtd-theme requirement from ~=1.0 to ~=1.1

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

#308 - Scrape magres EFG into `Site` objects

Pull Request - State: closed - Opened by harpaf13 almost 2 years ago - 1 comment

#307 - Fix flake8 URL in pre-commit CI

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

#306 - Support `continuation` and `magres_restart` in magres workflows

Pull Request - State: closed - Opened by harpaf13 almost 2 years ago - 1 comment

#305 - v0.10.0 release

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

#304 - Update ipykernel requirement from ~=6.15 to ~=6.16

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

#303 - Update coverage requirement from ~=6.4 to ~=6.5

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

#302 - Update matplotlib requirement from <3.6,>=3.0 to >=3.0,<3.7

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

#301 - Update sphinx requirement from ~=5.2 to ~=5.3

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

#300 - Update pymongo requirement from ~=3.11 to ~=4.3

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

#299 - Update pytest requirement from ~=7.1 to ~=7.2

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

#298 - Update dependencies

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

#297 - NMR workflow adjustments

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

#296 - Update sphinx requirement from ~=4.4 to ~=5.2

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

#295 - Update matplotlib requirement from ~=3.5 to ~=3.6

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

#294 - Update pytest-cov requirement from ~=3.0 to ~=4.0

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

#293 - Improvements to voltage and volume plots

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

#292 - Spectral plot tweaks

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

#291 - Light refactorinng of embarassingly old `res2dict`

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

#290 - Build(deps-dev): update black requirement from ~=22.1 to ~=22.8

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependency_updates

#289 - Additional ternary hull plot tweaks

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

#288 - Drop Python 3.7 & 3.8 support

Issue - State: closed - Opened by ml-evs about 2 years ago
Labels: dependency_updates

#287 - Build(deps): update requests requirement from ~=2.27 to ~=2.28

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependency_updates

#286 - Build(deps): update spglib requirement from ~=1.16 to ~=2.0

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependency_updates

#285 - Build(deps): bump actions/checkout from 2 to 3

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 3 comments

#284 - Build(deps): bump codecov/codecov-action from 1 to 3

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 3 comments

#283 - Build(deps): bump actions/setup-python from 2 to 4

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 3 comments

#282 - Enhanced linting in CI

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

#281 - Update CI notebooks and pre-commit

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

#280 - More quality of life updates

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

#279 - Build(deps-dev): update pre-commit requirement from ~=2.17 to ~=2.20

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependency_updates

#278 - Build(deps): update mongomock requirement from ~=4.0 to ~=4.1

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependency_updates

#277 - Build(deps): update numba requirement from ~=0.55 to ~=0.56

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependency_updates

#276 - Build(deps-dev): update flake8 requirement from ~=4.0 to ~=5.0

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 4 comments
Labels: dependency_updates

#275 - Build(deps): update pymongo requirement from ~=3.11 to ~=4.2

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

#274 - Build(deps): update sphinx requirement from ~=4.4 to ~=5.1

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 2 comments
Labels: dependency_updates

#273 - Build(deps): update scipy requirement from ~=1.7 to ~=1.9

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

#272 - Minor version pins causing numpy errors

Issue - State: closed - Opened by janosh about 2 years ago - 4 comments

#271 - Adding `bond_dict` to fresnel view leads to overlapping atoms in visualisation

Issue - State: open - Opened by ml-evs about 2 years ago
Labels: bug

#270 - Build(deps): update ipykernel requirement from ~=6.7 to ~=6.15

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 4 comments
Labels: dependency_updates

#269 - Build(deps-dev): update black requirement from ~=22.1 to ~=22.6

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#268 - Build(deps): update coverage requirement from ~=6.3 to ~=6.4

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 4 comments
Labels: dependency_updates

#267 - Build(deps-dev): update pre-commit requirement from ~=2.17 to ~=2.19

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

#266 - Build(deps): update sphinx requirement from ~=4.4 to ~=5.0

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

#265 - Build(deps): update tqdm requirement from ~=4.62 to ~=4.64

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#264 - Build(deps-dev): update pre-commit requirement from ~=2.17 to ~=2.18

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#263 - Build(deps): update pymongo requirement from ~=3.11 to ~=4.1

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

#262 - Build(deps): update networkx requirement from ~=2.6 to ~=2.8

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#261 - Build(deps): update ipykernel requirement from ~=6.7 to ~=6.13

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#260 - Optimising castep file reading

Pull Request - State: closed - Opened by ml-evs over 2 years ago

#259 - Build(deps): update ipykernel requirement from ~=6.7 to ~=6.11

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#258 - Build(deps): update jinja2 requirement from <3.1.0 to <3.2.0

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#257 - Build(deps): update sphinx requirement from ~=4.4 to ~=4.5

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#256 - Build(deps-dev): update black requirement from ~=22.1 to ~=22.3

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#255 - Build(deps): update ipykernel requirement from ~=6.7 to ~=6.10

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#254 - Add minimal OPTIMADE converter and example notebook

Pull Request - State: closed - Opened by ml-evs over 2 years ago - 1 comment

#253 - Add IUPAC ordered formulae

Pull Request - State: closed - Opened by ml-evs over 2 years ago

#252 - Improve fresnel crystal visualisations

Pull Request - State: closed - Opened by ml-evs over 2 years ago - 1 comment

#251 - Support for Python 3.10

Pull Request - State: closed - Opened by ml-evs over 2 years ago - 1 comment

#250 - Only warn when `species_gamma` is not set at start of NMR/EFG workflow

Pull Request - State: closed - Opened by ml-evs over 2 years ago - 1 comment

#249 - Build(deps): update pytest requirement from ~=6.2 to ~=7.1

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 2 comments
Labels: dependency_updates

#248 - True pseudo-binary phase diagrams

Issue - State: open - Opened by ml-evs over 2 years ago
Labels: suggestion