Enables parallel pytest execution and micromamba CI #821
+20
−43
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
There was a problem hiding this comment.
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 |
💡 Add Copilot custom instructions for smarter, more guided reviews. Learn how to get started.
Member
|
Thanks @calvinp0 ! This is very important. |
calvinp0
changed the title
JintaoWu98
previously approved these changes
Jan 23, 2026
Member
JintaoWu98
left a comment
JintaoWu98
left a comment
There was a problem hiding this comment.
LGTM, just one minor comment\question. Thanks!
calvinp0
force-pushed
the
pytest_parallel
branch
from
23f36a7 to
1a5a3d1
Compare
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.
calvinp0
force-pushed
the
pytest_parallel
branch
2 times, most recently
from
204b6c8 to
bb3e966
Compare
…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
approved these changes
Jan 23, 2026
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
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.