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update zarrtraj - #386

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IAlibay merged 1 commit into
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zarrtraj-update
Jun 30, 2026
Merged

update zarrtraj#386
IAlibay merged 1 commit into
mainfrom
zarrtraj-update

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@orbeckst

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- install moto properly
- add zarrtraj paper DOI
@orbeckst

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And fixed import in Becksteinlab/zarrtraj@d5c1b98

@orbeckst orbeckst closed this Jun 25, 2026
@orbeckst orbeckst reopened this Jun 25, 2026
@orbeckst

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Latest was passing, Develop failed because a careless import in the zarrtraj tests

==================================== ERRORS ====================================
___________________ ERROR collecting tests/test_zarrtraj.py ____________________
ImportError while importing test module '/home/runner/miniconda3/envs/test/lib/python3.13/site-packages/zarrtraj/tests/test_zarrtraj.py'.
Hint: make sure your test modules/packages have valid Python names.
Traceback:
../../../miniconda3/envs/test/lib/python3.13/importlib/__init__.py:88: in import_module
    return _bootstrap._gcd_import(name[level:], package, level)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
../../../miniconda3/envs/test/lib/python3.13/site-packages/zarrtraj/tests/test_zarrtraj.py:14: in <module>
    from MDAnalysisTests.coordinates.base import (
E   ImportError: cannot import name 'assert_array_almost_equal' from 'MDAnalysisTests.coordinates.base' (/home/runner/miniconda3/envs/test/lib/python3.13/site-packages/MDAnalysisTests/coordinates/base.py)
=========================== short test summary info ============================
ERROR tests/test_zarrtraj.py
!!!!!!!!!!!!!!!!!!!! Interrupted: 1 error during collection !!!!!!!!!!!!!!!!!!!!
=============================== 1 error in 1.53s ===============================

@orbeckst

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New error in develop:

tests: pytest --pyargs zarrtraj
============================= test session starts ==============================
platform linux -- Python 3.13.14, pytest-9.1.1, pluggy-1.6.0
rootdir: /home/runner/work/MDAKits/MDAKits
plugins: hypothesis-6.155.7
collected 35 items / 1 error

==================================== ERRORS ====================================
___________________ ERROR collecting tests/test_zarrtraj.py ____________________
In tests/test_zarrtraj.py::TestH5MDFmtReaderBaseAPI::test_add_transformations_rejects_non_callable: function uses no fixture 'ref'
=========================== short test summary info ============================
ERROR tests/test_zarrtraj.py::TestH5MDFmtReaderBaseAPI - Failed: In tests/test_zarrtraj.py::TestH5MDFmtReaderBaseAPI::test_add_transformations_rejects_non_callable: function uses no fixture 'ref'
!!!!!!!!!!!!!!!!!!!! Interrupted: 1 error during collection !!!!!!!!!!!!!!!!!!!!
=============================== 1 error in 1.49s ===============================

@orbeckst

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zarrtraj was updated — cycle to run CI again

@orbeckst orbeckst closed this Jun 25, 2026
@orbeckst orbeckst reopened this Jun 25, 2026
@orbeckst orbeckst added the mdakit About an MDAKit. label Jun 25, 2026
@orbeckst

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@MDAnalysis/mdakits-reviewers the zarrtraj MDAKit is now passing all MDAKit tests again (required meta data fix and fixes in the package itself). Please have a quick look. Thank you!

@IAlibay
IAlibay merged commit c98e4c9 into main Jun 30, 2026
11 of 13 checks passed
@orbeckst
orbeckst deleted the zarrtraj-update branch June 30, 2026 22:42
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Zarrtraj tests failing due to failure to install moto

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