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Updating QE patches for v2.8 #1083

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merged 3 commits into from
May 28, 2024
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Iximiel
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@Iximiel Iximiel commented May 28, 2024

Description

I git checkout upstream/master qespresso-*.diffed the patches into the v2.8
I also aligned the 5.0.2 patch to the newer ones, with the correct passage of the masses.
(i set up the tests to be launched here plumed/test-plumed-qe#6)

Target release

I would like my code to appear in release v2.8++
I think the patch can be merged as is in the newer branches, If it cannot be fast-forwarded PM and I set up the pr for the 2.9

Type of contribution
  • changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules
  • changes to a module not authored by you
  • new module contribution or edit of a module authored by you
Copyright
  • I agree to transfer the copyright of the code I have written to the PLUMED developers or to the author of the code I am modifying.
  • the module I added or modified contains a COPYRIGHT file with the correct license information. Code should be released under an open source license. I also used the command cd src && ./header.sh mymodulename in order to make sure the headers of the module are correct.
Tests
  • I added a new regtest or modified an existing regtest to validate my changes.
  • I verified that all regtests are passed successfully on GitHub Actions.

@GiovanniBussi GiovanniBussi merged commit 62ef8cc into plumed:v2.8 May 28, 2024
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@GiovanniBussi
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Thanks @Iximiel ! Indeed I cannot merge to v2.9 (there are conflicts...) can you double check?

@Iximiel
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Iximiel commented May 28, 2024

@GiovanniBussi you'll se a PR in a few minutes

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2 participants