Add MacOS X tests #239

jan-janssen · 2024-08-01T18:40:53Z

Summary by CodeRabbit

New Features
- Expanded continuous integration testing to support both macOS and Ubuntu operating systems, enhancing compatibility.
- Introduced a flexible matrix strategy for Python versions in the testing workflows, allowing for easier updates.
Bug Fixes
- Improved overall robustness of the testing process by ensuring broader coverage across different environments.

coderabbitai · 2024-08-01T18:41:00Z

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Walkthrough

The recent changes enhance the GitHub Actions workflows for running unit tests by introducing a matrix strategy to support multiple operating systems and Python versions. This update allows testing on both macos-latest and ubuntu-latest, ensuring greater compatibility and flexibility in the CI/CD pipeline. The configuration now accommodates all specified Python versions in a more streamlined manner, improving the robustness and coverage of the testing environments.

Changes

Files	Change Summary
`.github/workflows/unittests-mpich.yml`, `.github/workflows/unittests-openmpi.yml`	Introduced a matrix strategy for operating systems and Python versions, allowing builds on `macos-latest` and `ubuntu-latest`, enhancing flexibility and coverage. `runs-on` now uses `${{ matrix.operating-system }}`.

Poem

🌟 In fields of code where bunnies play,
We’ve spruced the tests in a grand new way!
Mac and Ubuntu, side by side,
With Python versions, we take great pride.
Hopping through CI, so robust and bright,
Our workflow dances in the morning light! 🐇✨

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Actionable comments posted: 0

Review details

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Review profile: CHILL

Commits

Files that changed from the base of the PR and between d2895e4 and f6197d0.

Files selected for processing (2)

.github/workflows/unittests-mpich.yml (1 hunks)
.github/workflows/unittests-openmpi.yml (1 hunks)

Additional comments not posted (4)

.github/workflows/unittests-mpich.yml (2)

13-13: LGTM!

The introduction of the matrix strategy for runs-on enhances the flexibility and coverage of the CI/CD pipeline.

16-27: LGTM!

The include matrix for operating systems and Python versions is correctly defined, ensuring comprehensive testing across different environments.

.github/workflows/unittests-openmpi.yml (2)

13-13: LGTM!

The introduction of the matrix strategy for runs-on enhances the flexibility and coverage of the CI/CD pipeline.

16-27: LGTM!

The include matrix for operating systems and Python versions is correctly defined, ensuring comprehensive testing across different environments.

for more information, see https://pre-commit.ci

jan-janssen · 2024-08-02T17:45:06Z

openmpi 5.0 bug - conda-forge/lammps-feedstock#207

OSError: dlopen(liblammps.dylib, 0x000A): symbol not found in flat namespace '_error_top'
--------------------------------------------------------------------------
prterun detected that one or more processes exited with non-zero status,
thus causing the job to be terminated. The first process to do so was:

   Process name: [prterun-Mac-1722615538655-5666@1,1] Exit code:    1
--------------------------------------------------------------------------

# Conflicts: # .github/workflows/unittests-mpich.yml # .github/workflows/unittests-openmpi.yml # pylammpsmpi/wrapper/ase.py # pylammpsmpi/wrapper/concurrent.py # pylammpsmpi/wrapper/extended.py # tests/test_ase_interface.py # tests/test_executor.py

# Conflicts: # tests/test_ase_interface.py

for more information, see https://pre-commit.ci

codecov · 2025-07-17T14:32:19Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 81.26%. Comparing base (7631d80) to head (b835417).

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #239      +/-   ##
==========================================
+ Coverage   81.15%   81.26%   +0.10%     
==========================================
  Files           5        5              
  Lines         552      555       +3     
==========================================
+ Hits          448      451       +3     
  Misses        104      104

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:

❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

# Conflicts: # pylammpsmpi/wrapper/concurrent.py

jan-janssen · 2025-07-17T15:23:00Z

.ci_support/environment-openmpi-mac.yml

+- conda-forge
+dependencies:
+- coverage
+- lammps =2024.06.27=*_mpi_openmpi_*


Related to the LAMMPS bug conda-forge/lammps-feedstock#207

jan-janssen added 2 commits August 1, 2024 20:39

Update unittests-openmpi.yml

64f34f7

Update unittests-mpich.yml

f6197d0

coderabbitai bot reviewed Aug 1, 2024

View reviewed changes

jan-janssen marked this pull request as draft August 1, 2024 18:47

jan-janssen and others added 4 commits August 2, 2024 18:23

Merge remote-tracking branch 'refs/remotes/origin/main' into mac

7ed6690

Add hostname_localhost parameter

b900542

fix tests

d80fa11

[pre-commit.ci] auto fixes from pre-commit.com hooks

ab377bb

for more information, see https://pre-commit.ci

jan-janssen and others added 6 commits July 17, 2025 15:52

merge changes

6e9d0e1

add mac

d1984da

Merge remote-tracking branch 'origin/mac' into mac

c8e69b1

# Conflicts: # tests/test_ase_interface.py

[pre-commit.ci] auto fixes from pre-commit.com hooks

ba64c25

for more information, see https://pre-commit.ci

Merge branch 'main' into mac

dd80221

jan-janssen marked this pull request as ready for review July 17, 2025 14:24

fix dependencies

5242603

jan-janssen marked this pull request as draft July 17, 2025 14:26

jan-janssen added 2 commits July 17, 2025 16:29

downgrade openmpi

10e726a

remove unused parameters

5ebe5e4

jan-janssen added 8 commits July 17, 2025 16:34

fix sed

a2476bd

downgrade numpy

0a95d82

disable displacement test

b9be91b

Test mac os with Python 3.12

cb2d269

downgrade lammps

a9fa861

separate environment

f0daed3

downgrade mpi4py

eeb28f7

flexible mpi4py

73ca61f

jan-janssen added 3 commits July 17, 2025 17:03

old mpi4py

87b2559

set task to done

e85af4b

Merge remote-tracking branch 'origin/main' into mac

b835417

# Conflicts: # pylammpsmpi/wrapper/concurrent.py

jan-janssen commented Jul 17, 2025

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