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add patches for Ambertools 21 to Amber 20.11 to work with new Amber easyblock #16343

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merged 2 commits into from
Oct 17, 2022
Merged

add patches for Ambertools 21 to Amber 20.11 to work with new Amber easyblock #16343

merged 2 commits into from
Oct 17, 2022

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zemu-unile
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@zemu-unile zemu-unile commented Sep 30, 2022 •
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(created using eb --new-pr)
Patches were taken from #16151

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Required after easybuilders/easybuild-easyblocks#2781 (in EasyBuild 4.6.1)

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I am not sure why, but the patches were not required for the fosscuda variant https://github.com/zemu-unile/easybuild-easyconfigs/blob/20220930160030_new_pr_Amber2011/easybuild/easyconfigs/a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb

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zemu-unile commented Sep 30, 2022 •
edited by akesandgren
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Tests depend on #16166

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I am not sure why, but the patches were not required for the fosscuda variant https://github.com/zemu-unile/easybuild-easyconfigs/blob/20220930160030_new_pr_Amber2011/easybuild/easyconfigs/a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb

That's because that specific easyconfig doesn't run the tests at all.

@akesandgren akesandgren changed the title add patches for ambertools to work with new easyblock add patches for Ambertools 21 to Amber 20.11 to work with new easyblock Oct 3, 2022
@boegel boegel added this to the next release (4.6.2?) milestone Oct 12, 2022
@easybuilders easybuilders deleted a comment from boegelbot Oct 12, 2022
akesandgren
akesandgren previously approved these changes Oct 12, 2022
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LGTM

@akesandgren akesandgren dismissed their stale review October 12, 2022 11:49

Still having problems with alt_location and checksum verification.

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Test report by @akesandgren
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
b-an02.hpc2n.umu.se - Linux Ubuntu 20.04, x86_64, Intel(R) Xeon(R) CPU E5-2690 v4 @ 2.60GHz, Python 3.8.10
See https://gist.github.com/5ff6ec9a51c7d0c67b75b383b716a452 for a full test report.

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We need easybuilders/easybuild-framework#4093 to make alt_location and patch checksumming work for Amber since there are old versions of at least one patch still in Amber while we now use the one from AmberTools.

akesandgren
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LGTM

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Going in, thanks @zemu-unile!

@akesandgren akesandgren merged commit bf36d6e into easybuilders:develop Oct 17, 2022
@boegel boegel changed the title add patches for Ambertools 21 to Amber 20.11 to work with new easyblock add patches for Ambertools 21 to Amber 20.11 to work with new Amber easyblock Oct 21, 2022
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