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Fixing deprecations #68

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sethaxen opened this issue Jun 3, 2022 · 0 comments · Fixed by #69
Closed

Fixing deprecations #68

sethaxen opened this issue Jun 3, 2022 · 0 comments · Fixed by #69

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@sethaxen
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sethaxen commented Jun 3, 2022

There are quite a few deprecation warnings being emitted after CI on Python 3.10 that we should fix to avoid future breakage (e.g. this would have caught #62 before it became a problem for users). For example, see https://github.com/keiserlab/e3fp/runs/6722979838?check_suite_focus=true#step:6:105

The following is a not-necessarily-complete list:

  • SafeConfigParser -> ConfigParser
  • scipy.sqrt -> np.lib.scimath.sqrt
  • np.matrix -> np.ndarray
  • scipy.corrcoef -> np.corrcoef
  • np.bool -> bool
  • np.float -> float
  • np.long -> int
  • np.int -> int

For the latter 3, we need to examine each usage to ensure that the chosen type does not introduce an OS/architecture dependency regarding which fingerprint is returned.

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