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update CP2K easyblock for recent versions (>= 7.0) #2069

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migueldiascosta merged 2 commits into from
Aug 14, 2020
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update CP2K easyblock for recent versions (>= 7.0) #2069

migueldiascosta merged 2 commits into from
Aug 14, 2020

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@boegel boegel commented May 28, 2020 •
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definitely needed for CP2K 7.1, but may need more work (all done now)...

@boegel boegel added the update label May 28, 2020
@boegel boegel added this to the next release (4.2.2?) milestone May 28, 2020
@boegel boegel mentioned this pull request Aug 6, 2020
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@boegel boegel changed the title update CP2K easyblock for recent versions (>= 7.0) [WIP] update CP2K easyblock for recent versions (>= 7.0) Aug 13, 2020
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boegel commented Aug 13, 2020

I tested these changes with a bunch of existing CP2K easyconfigs, works like a charm:

  • CP2K-3.0-intel-2018a.eb.
  • CP2K-5.1-foss-2018a.eb
  • CP2K-6.1-foss-2019a.eb

migueldiascosta
migueldiascosta approved these changes Aug 14, 2020
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lgtm

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migueldiascosta commented Aug 14, 2020

Going in, thanks @boegel!

@migueldiascosta migueldiascosta merged commit 6cbbadb into easybuilders:develop Aug 14, 2020
@boegel boegel deleted the cp2k_update branch August 14, 2020 10:38
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