8000 Updates ASE package in pyproject.toml by sherjeelshabih · Pull Request #263 · FAIRmat-NFDI/pynxtools · GitHub
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Updates ASE package in pyproject.toml 8000 #263

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Merged
merged 3 commits into from
Mar 11, 2024
Merged

Updates ASE package in pyproject.toml #263

merged 3 commits into from
Mar 11, 2024

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sherjeelshabih
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@sherjeelshabih sherjeelshabih commented Feb 26, 2024 •
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Nomad wants to update the ASE package now. This is to help build the dependency file in the Nomad repo and to merge when everything there works.

  • Check if this branch still works with the updated Nomad branch

@sherjeelshabih sherjeelshabih mentioned this pull request Feb 26, 2024
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@sherjeelshabih
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The error we see here would most likely be gone with @mkuehbach's changes for EM and APT. We can wait for the relevant PRs to be merged or we can disable the imports temporarily, if there is an urgency from @ladinesa.

mkuehbach
mkuehbach requested changes Feb 26, 2024
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coveralls commented Feb 26, 2024 •
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Pull Request Test Coverage Report for Build 8231577631

Details

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage remained the same at 45.763%
Totals Coverage Status
Change from base Build 8201626066: 0.0%
Covered Lines: 3597
Relevant Lines: 7860
💛 - Coveralls

@sherjeelshabih
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Before this gets merged we should check we can install this with Nomad.

@lukaspie lukaspie mentioned this pull request Feb 28, 2024
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lukaspie approved these changes Mar 5, 2024
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NOMAD CI passes as far as I can see, so this should be good to go.

@sherjeelshabih sherjeelshabih force-pushed the update-ase-dep-in-pyproject branch from bfcbb72 to 34dc559 Compare March 11, 2024 10:52
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Could you update the Nomad MR (https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1700) to the latest commit in this PR here before merging here? Just to see that the installation still works.

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mkuehbach approved these changes Mar 11, 2024
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For now setting ifes==0.1 hard is okay, so this PR is LGTM to me.
With the pynxtools-apm plugin addition we have to go to >=0.2...

@sherjeelshabih sherjeelshabih merged commit 976ac5f into master Mar 11, 2024
@sherjeelshabih sherjeelshabih deleted the update-ase-dep-in-pyproject branch March 11, 2024 11:26
@domna domna mentioned this pull request Mar 11, 2024
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@mkuehbach mkuehbach mkuehbach approved these changes

@lukaspie lukaspie lukaspie approved these changes

@sanbrock sanbrock Awaiting requested review from sanbrock

@ladinesa ladinesa Awaiting requested review from ladinesa

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