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@khsrali khsrali commented Jul 23, 2025

aiidalab/aiidalab-qe#1316

RTD is failing, which is independent of this PR

@khsrali khsrali force-pushed the inherit-from-BashCliScheduler branch from ec52678 to d601194 Compare July 23, 2025 07:10
@khsrali khsrali requested review from mbercx and superstar54 July 23, 2025 07:10
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Hi @khsrali , thanks for the fix! See my comment below.

pyproject.toml Outdated

dependencies = [
"aiida-core~=2.0",
"aiida-core>=2.7",
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Better add upper bound.

Suggested change
"aiida-core>=2.7",
"aiida-core>=2.7, <3",

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Won't aiida-core~=2.7 also do the trick?

https://peps.python.org/pep-0440/#compatible-release

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aiida-core~=2.7 will not upgrade aiida-core if the users already have aiida-core 2.6 in the environment. Thus, they need to upgrade aiida-core manually.

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Are you sure? The following should be equivalent according to the documentation:

~= 2.2
>= 2.2, == 2.*

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You are right! I tested it locally, and it indeed upgraded aiida-core to 2.7.1, and yes, the doc shows very clearly that ~= 2.2 is equivalent to >= 2.2, == 2.*.

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khsrali commented Jul 23, 2025

Thanks @superstar54 review applied, please approve

@khsrali khsrali requested a review from superstar54 July 23, 2025 12:19
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LGTM!

@khsrali khsrali merged commit c460136 into main Jul 23, 2025
3 of 4 checks passed
@khsrali khsrali deleted the inherit-from-BashCliScheduler branch July 23, 2025 18:00
@mbercx mbercx mentioned this pull request Jul 24, 2025
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4 participants