plumed / plumed2

Development version of plumed 2
https://www.plumed.org
GNU Lesser General Public License v3.0
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Updating QE patches for v2.8 #1083

Closed Iximiel closed 1 month ago

Iximiel commented 1 month ago
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 https://github.com/plumed/test-plumed-qe/pull/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
Copyright
Tests
GiovanniBussi commented 1 month ago

Thanks @Iximiel ! Indeed I cannot merge to v2.9 (there are conflicts...) can you double check?

Iximiel commented 1 month ago

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