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Update mdanalysis #42

Merged
merged 4 commits into from
Jan 27, 2025
Merged

Update mdanalysis #42

merged 4 commits into from
Jan 27, 2025

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Bernadette-Mohr
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@Bernadette-Mohr Bernadette-Mohr commented Jan 27, 2025

I changed the MDAnalysis dependencies to dynamic settings including python<3.10:

"mdanalysis>=2.8.0,<3.0.0 ; python_full_version >= '3.10'",
"mdanalysis<2.8 ; python_full_version < '3.10'",

Otherwise, uv run poe setup fails:

× No solution found when resolving dependencies for split (python_full_version == '3.9.*' and platform_system == 'Windows'):
  ╰─▶ Because the requested Python version (>=3.9) does not satisfy Python>=3.10 and mdanalysis==2.8.0 depends on Python>=3.10, we can conclude that mdanalysis==2.8.0 cannot be used.
      And because only mdanalysis<=2.8.0 is available, we can conclude that mdanalysis>=2.8.0 cannot be used...

@Bernadette-Mohr Bernadette-Mohr merged commit 56d47b3 into develop Jan 27, 2025
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4 participants