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CI for NNPOps #34

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Merged
merged 8 commits into from
Oct 6, 2021
Merged

CI for NNPOps #34

merged 8 commits into from
Oct 6, 2021

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raimis
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@raimis raimis commented Oct 1, 2021

  • Install the decencies
  • Build the library
  • Run the tests (CPU only)

@raimis raimis self-assigned this Oct 1, 2021
@raimis raimis changed the title Simple CI CI for NNPOps Oct 4, 2021
@raimis raimis marked this pull request as ready for review October 4, 2021 19:46
@raimis raimis requested a review from peastman October 4, 2021 19:47
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raimis commented Oct 4, 2021

This was tested on a fork: https://github.com/raimis/NNPOps/actions/runs/1304947584

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raimis commented Oct 5, 2021

@peastman any comments?

gcc: 10.3.0
nvcc: 11.2
python: 3.9
pytorch: 1.8.0
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Should this be 1.9? That's the most recent release.

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TorchANI has a problem with PyTorch 1.9.

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raimis commented Oct 6, 2021

Cannot test with PyTorch 1.9, because of aiqm/torchani#598

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peastman commented Oct 6, 2021

Ok. We just need to remember to update once that issue is fixed. Everything else looks fine.

@raimis raimis merged commit 24a6f7e into openmm:master Oct 6, 2021
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2 participants