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Determine if scipy or pytest responsible for version-specific failure #239

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cadeduckworth opened this issue Feb 6, 2023 · 3 comments · Fixed by #249
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Determine if scipy or pytest responsible for version-specific failure #239

cadeduckworth opened this issue Feb 6, 2023 · 3 comments · Fixed by #249
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testing

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@cadeduckworth
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MDPOW/mdpow/tests/test_automated_dihedral_analysis.py

Line 178 in 525f2cf

@pytest.mark.skipif(sys.version_info < (3, 8), reason="scipy circvar gives wrong answers")

@cadeduckworth
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This needs to be figured out for at least two existing tests in this module.

@cadeduckworth
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currently documented in the tests as:

# the following 'reason' affects every downstream function that relies
# on the atom indices returned for dihedral atom group selections
# issue raised (#239) to identify and resolve exact package/version responsible
@pytest.mark.skipif(sys.version_info < (3, 8), reason='pytest=7.2.0, build=py37h89c1867_0, '
'returns incorrect atom_indices for dihedral atom group selections')

appears to be related to atom indices of dihedral atom group selections

orbeckst added a commit that referenced this issue Jun 27, 2023
@orbeckst
fixed automated_dihedral_tests that were order sensitive
6e10796 
- use set comparisons
- removed skipif for python < 3.8 and replaced with comment referencing
  issue #239
@orbeckst
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This issue will become moot with PR #249 (drop Python 3.7).

@orbeckst orbeckst linked a pull request Jun 29, 2023 that will close this issue
drop python 3.7 and testing improvements #249
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orbeckst added a commit that referenced this issue Jun 30, 2023
@orbeckst
fixed automated_dihedral_tests that were order sensitive
e6a0a9f 
- use set comparisons
- removed skipif for python < 3.8 and replaced with comment referencing
  issue #239
@orbeckst orbeckst mentioned this issue Jun 30, 2023
Merged
2 tasks
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drop python 3.7 and testing improvements Becksteinlab/MDPOW
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@orbeckst @cadeduckworth