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{chem}[foss/2021b] Amber v22.0 w/ Python 3.9.6 #16166

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merged 11 commits into from Oct 12, 2022
Merged

{chem}[foss/2021b] Amber v22.0 w/ Python 3.9.6 #16166

merged 11 commits into from Oct 12, 2022

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akesandgren
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(created using eb --new-pr)

@akesandgren akesandgren added this to the 4.x milestone Aug 31, 2022
@akesandgren akesandgren mentioned this pull request Aug 31, 2022
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bedroge added a commit to bedroge/easybuild-easyconfigs that referenced this pull request Aug 31, 2022
@bedroge
Sync with non-CUDA version from PR easybuilders#16166
588565a
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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/c2d86642aafe6c0ad5a13930cf7f0678 for a full test report.

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bedroge previously requested changes Aug 31, 2022
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Looks like https can be used for all URLs (also see #16109); I've just done the same for #16123.

easybuild/easyconfigs/a/Amber/Amber-22.0-foss-2021b-AmberTools-22.3.eb Outdated Show resolved Hide resolved
easybuild/easyconfigs/a/Amber/Amber-22.0-foss-2021b-AmberTools-22.3.eb Outdated Show resolved Hide resolved
@easybuilders easybuilders deleted a comment from boegelbot Sep 14, 2022
@easybuilders easybuilders deleted a comment from boegelbot Sep 14, 2022
@easybuilders easybuilders deleted a comment from boegelbot Sep 14, 2022
@easybuilders easybuilders deleted a comment from boegelbot Sep 14, 2022
@akesandgren akesandgren dismissed bedroge’s stale review September 14, 2022 16:08

Suggested change implemented.

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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/56d2a0d3a15cc1d4e3407bb33272356a for a full test report.

@akesandgren akesandgren mentioned this pull request Oct 3, 2022
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@easybuilders easybuilders deleted a comment from boegelbot Oct 3, 2022
@akesandgren
Revert "Remove AmberTools-20 patch file from Amber, it's now located …
e18aa2a 
…in AmberTools only."

This reverts commit ed30957.

Must leave this patch in the Amber directory until all older Amber
easyconfigs have been changed to use alt_location.
@boegel boegel modified the milestones: 4.x, next release (4.6.2?) Oct 12, 2022
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boegel approved these changes Oct 12, 2022
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lgtm

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boegel commented Oct 12, 2022

Going in, thanks @akesandgren!

@boegel boegel merged commit 70d92f9 into easybuilders:develop Oct 12, 2022
@akesandgren akesandgren deleted the 20220831075433_new_pr_Amber220 branch October 12, 2022 10:29
@akesandgren akesandgren mentioned this pull request Oct 12, 2022
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bedroge added a commit to bedroge/easybuild-easyconfigs that referenced this pull request Dec 1, 2022
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delete patch (already added by PR easybuilders#16166)
fffe2f9
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