Nexus: Update pseudopotential.py to accept pathlib.Path objects#5933
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prckent merged 6 commits intoMay 21, 2026
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jtkrogel
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Apr 30, 2026
| self.error('incorrect use of ppset\nnon-filename provided with set labeled "{0}" for simulation code "{1}"\neach pseudopential file name must be a string\nreceived type: {2}\nwith value: {3}'.format(label,code,pp.__class__.__name__,pp)) | ||
| #end if | ||
| elem_label,symbol,is_elem = pp_elem_label(pp) | ||
| if isinstance(pp, str): |
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Why not keep a single line?
elem_label,symbol,is_elem = pp_elem_label(str(pp))
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If the file path is a fully resolved path then that would include everything, not just the file name.
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Just use pp=path_string(pp) under an isinstance(pp,str|Path)
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|
Test this please |
jtkrogel
requested changes
May 1, 2026
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jtkrogel
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jtkrogel
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Halt Path additions until fundamental compatibility problems are addressed
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Approach again after #5944 |
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jtkrogel
requested changes
May 19, 2026
| self.error('incorrect use of ppset\nnon-filename provided with set labeled "{0}" for simulation code "{1}"\neach pseudopential file name must be a string\nreceived type: {2}\nwith value: {3}'.format(label,code,pp.__class__.__name__,pp)) | ||
| #end if | ||
| elem_label,symbol,is_elem = pp_elem_label(pp) | ||
| if isinstance(pp, str): |
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Just use pp=path_string(pp) under an isinstance(pp,str|Path)
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|
Test this please |
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Proposed changes
This just updates
pseudopotential.pyto acceptpathlib.Pathobjects where necessary. It passes current testing, and seems to pass through a set of small tests where I usepathlib.Pathobjects.This contributes to #5881.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
Laptop, Fedora 43 KDE Plasma
Python 3.14.4
uv 0.11.8
Numpy 2.4.4
Pytest 9.0.3
Checklist