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Add Python build and GPU test CI - #167

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scal444 wants to merge 1 commit into
NVIDIA-BioNeMo:mainfrom
scal444:ci-python-build-test
Open

Add Python build and GPU test CI#167
scal444 wants to merge 1 commit into
NVIDIA-BioNeMo:mainfrom
scal444:ci-python-build-test

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@scal444

@scal444 scal444 commented May 7, 2026

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Builds nvMolKit from source and runs the non-long Python pytest suite on the colossus GPU runner.

@greptile-apps

greptile-apps Bot commented May 7, 2026

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Greptile Summary

The PR adds a GPU-backed GitHub Actions workflow that builds nvMolKit from source and runs its non-long Python test suite.

  • Detects the available GPUs and configures corresponding CUDA architectures.
  • Installs the Conda, native, Python, and test dependencies.
  • Verifies PyTorch GPU access before building and testing the package.
  • Pins the checkout action to an immutable commit.

Confidence Score: 5/5

The PR appears safe to merge.

No blocking failure remains.

Important Files Changed

Filename Overview
.github/workflows/python-build-test.yml Adds the Colossus GPU build-and-test workflow; the previously reported actionable checkout concern is fixed and no blocking failure remains.

Reviews (4): Last reviewed commit: "Modernize Python build and test CI" | Re-trigger Greptile

Comment thread .github/workflows/python-build-test.yml Outdated
@scal444
scal444 force-pushed the ci-python-build-test branch from ae7f218 to 59b5dcc Compare August 20, 2026 13:31
@scal444 scal444 changed the title Add Python build/pytest CI workflow on colossus runner Add Python build and GPU test CI Aug 20, 2026
@scal444
scal444 force-pushed the ci-python-build-test branch from 59b5dcc to ad9c7e6 Compare August 20, 2026 13:32
Comment thread .github/workflows/python-build-test.yml Outdated
Comment thread .github/workflows/python-build-test.yml
@scal444
scal444 force-pushed the ci-python-build-test branch 2 times, most recently from 82ca174 to 2101ad7 Compare August 20, 2026 13:53
@scal444
scal444 force-pushed the ci-python-build-test branch from 2101ad7 to c968bea Compare August 20, 2026 14:12
@scal444
scal444 requested a review from evasnow1992 August 20, 2026 14:21
@scal444

scal444 commented Aug 20, 2026

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Wraps up #158

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