Enables parallel pytest execution and micromamba CI#821
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Pull request overview
This PR enables parallel pytest execution to speed up CI testing by adding the pytest-xdist plugin and configuring pytest to use automatic worker detection.
Changes:
- Adds
pytest-xdistas a testing dependency - Configures pytest to run with
-n autoflag for parallel execution in CI workflows
Reviewed changes
Copilot reviewed 2 out of 3 changed files in this pull request and generated no comments.
| File | Description |
|---|---|
| requirements.txt | Adds pytest-xdist to the testing dependencies |
| environment.yml | Adds conda-forge::pytest-xdist to the conda environment |
| .github/workflows/ci.yml | Adds -n auto flag to pytest commands for both unit and functional tests |
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Thanks @calvinp0 ! This is very important. |
calvinp0
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JintaoWu98
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Jan 23, 2026
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LGTM, just one minor comment\question. Thanks!
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Speeds up testing by enabling parallel execution of pytest using the `-n auto` flag. Adds `pytest-xdist` as a dependency for parallel testing. Removes the redundant conda environment caching from the `update-cache.yml` workflow, as environment caching is already managed in the CI workflow, and adds `CONDA_ALWAYS_YES` and `MAMBA_ALWAYS_YES` variables to automatically accept prompts. Also adds the `--strict-channel-priority` flag when creating or updating the conda environment to ensure channel priorities are respected.
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…ian function in torchani.utils Since we unrestricted the installation of torchani, it would download the latest version as well as pythoin 3.13, thus breaking our tests: `AttributeError: module 'torchani.utils' has no attribute 'hessian'`
Lilachn91
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Jan 23, 2026
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Speeds up testing by enabling parallel execution of unit and functional tests using the
pytest-xdistplugin.Adds
pytest-xdistas a dependency inenvironment.ymlandrequirements.txt.Adds the
-n autoflag to the pytest command in the CI workflow to automatically determine the number of workers.This pull request also introduces several improvements to the project's environment setup and CI workflows. The main changes involve switching to micromamba for environment management in CI, enforcing stricter channel priorities, and enhancing the test suite with parallelization support.
.github/workflows/ci.yml) to setMAMBA_ALWAYS_YESandCONDA_ALWAYS_YESenvironment variables, ensuring non-interactive installs for more reliable automation.devtools/install_rmg.shto use the--strict-channel-priorityflag, enforcing stricter dependency resolution for reproducible environments..github/workflows/update-cache.ymlfromsetup-minicondatosetup-micromamba, enabling faster, more reliable builds and leveraging built-in caching for environments and downloads.