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Opened 8 hours ago
#20565 assigned defect
DCD file reader probably broken with numpy 2
| Reported by: | Tom Goddard | Owned by: | Eric Pettersen |
|---|---|---|---|
| Priority: | moderate | Milestone: | |
| Component: | Input/Output | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The DCD file reader code
md_crds/src/dcd/MDToolsMarch97/md_DCD.py
uses the numpy 1 fromstring() method on bytes data and that gives an error in numpy 2 where the frombuffer() routine needs to be used instead. frombuffer() also works in numpy 1. I don't have a DCD file to test on. If you gave me one I could test with my numpy 2 ChimeraX and fix it.
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