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

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akesandgren merged 2 commits intoeasybuilders:developfrom
zemu-csi:20220930160030_new_pr_Amber2011
Oct 17, 2022
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add patches for Ambertools 21 to Amber 20.11 to work with new Amber easyblock#16343
akesandgren merged 2 commits intoeasybuilders:developfrom
zemu-csi:20220930160030_new_pr_Amber2011

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

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zemu-csi commented Sep 30, 2022

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

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zemu-csi commented Sep 30, 2022

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

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akesandgren commented Oct 3, 2022

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
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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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akesandgren commented Oct 12, 2022

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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akesandgren commented Oct 12, 2022

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.

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LGTM

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akesandgren commented Oct 17, 2022

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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