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enhance Amber easyblock to support installing Amber via CMake #2445

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branfosj
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@branfosj branfosj commented May 29, 2021

(created using eb --new-pr)

Add support to build Amber 20:

  • Amber 20 uses CMake (older versions use configuremake)
  • Amber 20 can be built in a build directory (older versions required to be built in install directory)
  • We've only built foss and fosscuda versions
  • The CUDA version does some building during the install step
  • If Amber detects a current install then it causes the new build to fail - hence making sure to delete the installdir at the start
  • The tests are flaky - we failed to find any number of cores for the parallel tests that allowed them all to pass in the same time and the Amber manual suggests that this is normal

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@akesandgren akesandgren left a comment

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LGTM

@akesandgren
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Test report in easybuilders/easybuild-easyconfigs#12985

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LGTM

@akesandgren akesandgren modified the milestones: 4.x, next release (4.4.1) Jun 16, 2021
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Going in, thanks @branfosj!

@akesandgren akesandgren merged commit 0095d48 into easybuilders:develop Jun 16, 2021
@branfosj branfosj deleted the 20210529094152_new_pr_kCZWvWTLVF branch June 16, 2021 17:34
@boegel boegel changed the title Add CMake support for Amber 20 enhance Amber easyblock to support installing Amber via CMake Jun 23, 2021
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