TypeError: bandsplot() missing 1 required positional argument: 'dirname'

[kaiqi-wang]

Dear all,

I meet a problem when I use pip install pyprocar and after use it . Anyone can help me ?

Traceback (most recent call last): File "/fs2/home/software/miniconda3/bin/procar.py", line 809, in args.func(args) File "/fs2/home/software/miniconda3/bin/procar.py", line 23, in call_bandsplot pyprocar.bandsplot( TypeError: bandsplot() missing 1 required positional argument: 'dirname'

This is my bash script:_

!/bin/bash

procar.py repair PROCAR-band PROCAR-repaired

openpwd

emin=-10 emax=10

echo $emin $emax compound="OsBi2" A1="Os" A2="Bi" cmap='hot_r' vmin=0 vmax=1

procar.py bandsplot --outcar OUTCAR-scf \ --mode parametric \ --cmap $cmap \ --vmin $vmin \ --vmax $vmax \ -a 0 1 2 3 4 5 \ --elimit $emin $emax -t "${compound} ${A1}" \ --savefig "Fatband${compound}${A1}.png" \ PROCAR-repaired

[ahromero]

You need to provide enough information, this is not enough to check what the problem is. Please describe line by line what you are doing and what you are trying to accomplish.

__::::__ Prof. Aldo Humberto Romero Director Research Computing, West Virginia University Eberly Family Distinguished Professor Fellow American Physical Society Editor Physica B, Assistant Editor EPJB, Editor Frontiers in Physics Section Editor Papers in Physics Member of the Editorial Board of “Materials” and “Symmetry Physics”

Physics and Astronomy Department West Virginia University 135 Willey Street, PO Box 6315 111 White Hall Morgantown, WV 26506 Phone: 304-293-6317 Fax: 304-293-5732 email: @.***

From: 王凯齐 @.> Date: Friday, September 1, 2023 at 11:29 PM To: romerogroup/pyprocar @.> Cc: Subscribed @.***> Subject: [romerogroup/pyprocar] TypeError: bandsplot() missing 1 required positional argument: 'dirname' (Issue #129)

Dear all,

I meet a problem when I use pyprocar. Anyone can help me ?

Traceback (most recent call last): File "/fs2/home/software/miniconda3/bin/procar.py", line 809, in args.func(args) File "/fs2/home/software/miniconda3/bin/procar.py", line 23, in call_bandsplot pyprocar.bandsplot( TypeError: bandsplot() missing 1 required positional argument: 'dirname'

― Reply to this email directly, view it on GitHubhttps://github.com/romerogroup/pyprocar/issues/129, or unsubscribehttps://github.com/notifications/unsubscribe-auth/AB24DTMT7QXWM76NLE6O5XTXYKR2VANCNFSM6AAAAAA4IJZHRA. You are receiving this because you are subscribed to this thread.Message ID: @.***>

[lllangWV]

Hey kaiqi-wang!

This issue is happening because we have updated bandsplot.py. I need to update scripts/procar.py to reflect these changes.

In the meantime, you can either create a python script and use the updated bandsplot function, or you can use an older version of pyprocar==5.6.6. You install this version through pip or go to the github releases.

Tell me if these solutions are satisfactory for you. If you have any other questions, please let us know!

[kaiqi-wang]

Hey kaiqi-wang!

This issue is happening because we have updated bandsplot.py. I need to update scripts/procar.py to reflect these changes.

In the meantime, you can either create a python script and use the updated bandsplot function, or you can use an older version of pyprocar==5.6.6. You install this version through pip or go to the github releases.

Tell me if these solutions are satisfactory for you. If you have any other questions, please let us know!

Thank you very much. I already know the reason and hope other users can pay attention. In versions before v6.0.0, the dirname parameter defaults to the folder where OUTCAR and PROCAR are located, but after this, it is necessary to specify the specific folder. I am using a bash script that does not support the parameter dirname when using pyprocar. （I mean in that way）. I have changed the instructions for installing the script on the official website to a Python script and it can be run. Like this:

!/usr/bin/env python

import pyprocar

pyprocar.bandsplot( code='vasp', \ dirname='./', # Pay attention here. Must be specified, otherwise an error will be reported elimit=[-2,2], \ mode='plain', \ color='blue', \ savefig='band.png')