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Fix and improve CI #56

Merged
merged 7 commits into from
May 24, 2022
Merged

Fix and improve CI #56

merged 7 commits into from
May 24, 2022

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raimis
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@raimis raimis commented May 12, 2022

  • Update dependencies
  • Fix C++/CUDA standard
  • Simplify CI
  • Enable periodic CI

@raimis raimis self-assigned this May 12, 2022
@mikemhenry
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I think there are issues with this torchani build for some reason: cuda102py38h7dc3a01_5 You might want to try doing build 4 and see if that works for cuda 10.2. Also I'm not sure how long we should try and support cuda 10.2

@raimis raimis added this to Regular in Accelerated NNP in OpenMM via automation May 24, 2022
@raimis raimis mentioned this pull request May 24, 2022
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@raimis raimis changed the title Fix CI failure Fix and improve CI May 24, 2022
@raimis raimis marked this pull request as ready for review May 24, 2022 12:51
@raimis raimis requested a review from peastman May 24, 2022 12:51
@raimis
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raimis commented May 24, 2022

@peastman could you review?

gcc: "8.5.0"
nvcc: "10.2"
python: "3.7"
pytorch: "1.11.0"
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Does this mean we're no longer trying to support any version before 1.11?

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Yes, only PyTorch 1.11. conda-forge has pinned the version of PyTorch (conda-forge/conda-forge-pinning-feedstock#2812), so there will be no more packages for the older versions.

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Looks good.

@raimis raimis merged commit 262261e into openmm:master May 24, 2022
Accelerated NNP in OpenMM automation moved this from Regular to Done May 24, 2022
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3 participants