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pin distopia<0.3.0 #4740

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Oct 19, 2024
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pin distopia<0.3.0 #4740

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e60f3d5
pin distopia<0.3.0
orbeckst Oct 18, 2024
6adbf74
version check distopia
orbeckst Oct 19, 2024
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2 changes: 1 addition & 1 deletion .github/actions/setup-deps/action.yaml
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Expand Up @@ -59,7 +59,7 @@ inputs:
dask:
default: 'dask'
distopia:
default: 'distopia>=0.2.0'
default: 'distopia>=0.2.0,<0.3.0'
h5py:
default: 'h5py>=2.10'
hole2:
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1 change: 1 addition & 0 deletions package/CHANGELOG
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Expand Up @@ -78,6 +78,7 @@ Enhancements
DOI 10.1021/acs.jpcb.7b11988. (Issue #2039, PR #4524)

Changes
* only use distopia < 0.3.0 due to API changes (Issue #4739)
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Not sure if we would normally make a CHANGELOG entry but in this case I would recommend to do so because there is not other part in the user-visible code base that knows about this requirement. If someone installs distopia by themselves, they will see failures.

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Now they will (hopefully) a warning

../package/MDAnalysis/lib/_distopia.py:45
  ~/MDAnalysis/mdanalysis/package/MDAnalysis/lib/_distopia.py:45: RuntimeWarning: Install 'distopia>=0.2.0,<0.3.0' to be used with this release of MDAnalysis. Your installed version of distopia >=0.3.0 will NOT be used.
    warnings.warn("Install 'distopia>=0.2.0,<0.3.0' to be used with this release "

* The `fetch_mmtf` method has been removed as the REST API service
for MMTF files has ceased to exist (Issue #4634)
* MDAnalysis now builds against numpy 2.0 rather than the
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