JuDFTteam / aiida-kkr

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
https://aiida-kkr.readthedocs.io
MIT License
14 stars 10 forks source link

Support for workflows with aiida-2.X #113

Closed PhilippRue closed 1 year ago

PhilippRue commented 1 year ago

ATTENTION: this is a breaking change and should have a new release with a new major version

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 76.29% and project coverage change: -8.06 :warning:

Comparison is base (c09e9f0) 76.71% compared to head (e7a440b) 68.65%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## develop #113 +/- ## =========================================== - Coverage 76.71% 68.65% -8.06% =========================================== Files 38 98 +60 Lines 2147 13751 +11604 =========================================== + Hits 1647 9441 +7794 - Misses 500 4310 +3810 ``` | [Impacted Files](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam) | Coverage Δ | | |---|---|---| | [aiida\_kkr/calculations/kkrimporter.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL2NhbGN1bGF0aW9ucy9ra3JpbXBvcnRlci5weQ==) | `0.00% <ø> (ø)` | | | [aiida\_kkr/cmdline/data/parameters.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL2NtZGxpbmUvZGF0YS9wYXJhbWV0ZXJzLnB5) | `41.02% <0.00%> (ø)` | | | [aiida\_kkr/cmdline/data/structure.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL2NtZGxpbmUvZGF0YS9zdHJ1Y3R1cmUucHk=) | `38.29% <0.00%> (ø)` | | | [aiida\_kkr/cmdline/launch/launch.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL2NtZGxpbmUvbGF1bmNoL2xhdW5jaC5weQ==) | `71.63% <ø> (ø)` | | | [aiida\_kkr/cmdline/util/defaults.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL2NtZGxpbmUvdXRpbC9kZWZhdWx0cy5weQ==) | `32.20% <0.00%> (ø)` | | | [aiida\_kkr/cmdline/util/options.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL2NtZGxpbmUvdXRpbC9vcHRpb25zLnB5) | `100.00% <ø> (ø)` | | | [aiida\_kkr/data/kkrstructure.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL2RhdGEva2tyc3RydWN0dXJlLnB5) | `0.00% <ø> (ø)` | | | [aiida\_kkr/parsers/kkr.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL3BhcnNlcnMva2tyLnB5) | `61.53% <ø> (ø)` | | | [aiida\_kkr/parsers/kkrimp.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL3BhcnNlcnMva2tyaW1wLnB5) | `57.27% <ø> (ø)` | | | [aiida\_kkr/parsers/kkrimporter.py](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam#diff-YWlpZGFfa2tyL3BhcnNlcnMva2tyaW1wb3J0ZXIucHk=) | `66.66% <ø> (ø)` | | | ... and [59 more](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam) | | ... and [67 files with indirect coverage changes](https://codecov.io/gh/JuDFTteam/aiida-kkr/pull/113/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam) Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=JuDFTteam)

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