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add support to NAMD easyblock to opt out of building with CUDA support even if CUDA is included as dependency#2666

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ocaisa merged 2 commits intoeasybuilders:developfrom
damianam:namd_no_cuda
Feb 4, 2022
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add support to NAMD easyblock to opt out of building with CUDA support even if CUDA is included as dependency#2666
ocaisa merged 2 commits intoeasybuilders:developfrom
damianam:namd_no_cuda

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@damianam damianam commented Jan 28, 2022

Useful when CUDA is part of the dependencies (like when included by MPI
or any other dependency), but we don't want to build Charm++ with CUDA
support

@damianam
To enable the enabling of CUDA as desired, instead of automatically.
2f1247d 
Useful when CUDA is part of the dependencies (like when included by MPI
or any other dependency), but we don't want to build Charm++ with CUDA
support
@SebastianAchilles SebastianAchilles added this to the 4.x milestone Jan 29, 2022
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SebastianAchilles commented Jan 29, 2022

Test report by @SebastianAchilles

Overview of tested easyconfigs (in order)

  • SUCCESS NAMD-2.14-foss-2019b-mpi.eb
  • SUCCESS NAMD-2.14-foss-2020a-mpi.eb
  • SUCCESS NAMD-2.14-foss-2020b-mpi.eb
  • SUCCESS NAMD-2.14-intel-2020a-mpi.eb

Build succeeded for 4 out of 4 (4 easyconfigs in total)
cnx1 - Linux UNKNOWN UNKNOWN, x86_64, Intel(R) Xeon(R) CPU E5-2690 v3 @ 2.60GHz (haswell), Python 3.6.8
See https://gist.github.com/0430664b16da798016151323c7ee4fbd for a full test report.

@boegel boegel changed the title NAMD easyblock: To enable the enabling of CUDA as desired, instead of automatically. add support to NAMD easyblock to opt out of building with CUDA support even if CUDA is included as dependency Jan 29, 2022
boegel
boegel previously requested changes Jan 29, 2022
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Comment thread easybuild/easyblocks/n/namd.py Outdated
@boegel boegel modified the milestones: 4.x, next release (4.5.3?) Jan 29, 2022
@ocaisa ocaisa dismissed boegel’s stale review February 4, 2022 11:48

Requested changes addressed

ocaisa
ocaisa approved these changes Feb 4, 2022
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LGTM

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ocaisa commented Feb 4, 2022

Test report by @ocaisa

Overview of tested easyconfigs (in order)

  • SUCCESS NAMD-2.14-foss-2019b-mpi.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
login1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2690 v3 @ 2.60GHz, Python 3.6.8
See https://gist.github.com/ccd6d6ffff025c394e35f6cdf71545da for a full test report.

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ocaisa commented Feb 4, 2022

Test report by @ocaisa

Overview of tested easyconfigs (in order)

  • SUCCESS NAMD-2.14-foss-2020a-mpi.eb
  • SUCCESS NAMD-2.14-intel-2020a-mpi.eb

Build succeeded for 2 out of 2 (2 easyconfigs in total)
login1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2690 v3 @ 2.60GHz, Python 3.6.8
See https://gist.github.com/a729693ebcac792576d1f2a77b6e451e for a full test report.

@ocaisa ocaisa merged commit ba0e745 into easybuilders:develop Feb 4, 2022
@boegel boegel mentioned this pull request Feb 16, 2022
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