pyhon > 3.6 compatibility fix

[fraricci]

• run function replace popen
• the logic to write the STDOUT to file hs been changed accordingly
• iteritems() replaced with items()

I tested the three mode kpts, unfold and plot and they seems working fine with python > 3.6.

An error is raised if py 3.5 is used, though

hope this is helpful

[mbagheri20]

HI,
the kpt producing worked properly but when I tried the ploting step the following Error appeared:

Traceback (most recent call last):
  File "/home/user/bandup-master/src/python_interface/bandupy/files.py", line 298, in create_bandup_input
    if(os.path.exists(dest)): raise OSError
OSError

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/home/user/bandup-master/bandup", line 73, in <module>
    run_requested_task(args)
  File "/home/user/bandup-master/src/python_interface/bandupy/runners.py", line 61, in run_requested_task
    create_bandup_input(args)
  File "/home/user/bandup-master/src/python_interface/bandupy/files.py", line 320, in create_bandup_input
    'overwrite it.')
  File "/home/user/intel/intelpython3/lib/python3.7/warnings.py", line 110, in _showwarnmsg
    msg.file, msg.line)
TypeError: _new_showwarning() takes from 1 to 4 positional arguments but 6 were given

[fraricci]

which command are you using? simple plot or using the gui?
I tried to do a plot and save it successfully.

[mbagheri20]

I used run_BandUP_unfold_and_plot_tasks.sh file from Si example

[fraricci]

ok I see.
in the file /home/user/bandup-master/src/python_interface/bandupy/warning_wrapper.py
replace:
def _new_showwarning(message, category = UserWarning, filename = '', lineno = -1):
with
def _new_showwarning(message, category = UserWarning, filename = '', lineno = -1, msg_file=None, line=None):

[stepan-tsirkin]

Dear @fraricci , thank you for this fix, and sorry for not replying for almost 2 years,
I checked, and it really works on python 3.8, but fails on python 3.6 .

If it is not hard to you, can you add a bit of backward compatibility, by modifying the changes in runners.py as :

if sys.version > '3.7' : 
    your_new_code
else :
    the_old_code

I understand that python3.6 is already old, but also some users may have reasons for not upgrading to newer versions.

Regards,
Stepan

[fraricci]

let me check, I remember it was working in py3.6. It might be that the fix in the warning_wrapper doesn't.
Anyway, yes I can add the backward compatibility you mentioned.

[stepan-tsirkin]

with Python 3.6.12 I get the following error

> ./run_BandUP_unfold_and_plot_tasks.sh
Traceback (most recent call last):
  File "/disk/data11/tfp/stepan/bandup/bandup", line 73, in <module>
    run_requested_task(args)
  File "/disk/data11/tfp/stepan/bandup/src/python_interface/bandupy/runners.py", line 62, in run_requested_task
    run_bandup(args)
  File "/disk/data11/tfp/stepan/bandup/src/python_interface/bandupy/runners.py", line 37, in run_bandup
    text=True)
  File "/usr/lib64/python3.6/subprocess.py", line 423, in run
    with Popen(*popenargs, **kwargs) as process:
TypeError: __init__() got an unexpected keyword argument 'capture_output'

can it be different is subversions of python3.6 ?

[nhew1994]

Hi Stepan, similar to python 3.6.12, using python 3.6.3 results in the same error as you stated above. I made a change to the "runners.py" file (see attached) and it seems to work in conjunction with the corrected files.py and warnings_wrapper.py file posted here.
runners.txt

[stepan-tsirkin]

dear @nhew1994 ,
could you implement your suggestion as a pull request. For that you may clone the branch of @fraricci to your fork, implement the changes, and make a separate PR. Thus both commits of @fraricci and yours will be credited properly.

also , @fraricci , did you find time to implement a single version that works bothe in python 3.6 and 3.8 ? or @nhew1994 , can you do it?

[fraricci]

Hello there, sorry for been unresponsive. I quickly tested the implementation by @nhew1994 that use Popen instead of run and it seems working both in 3.6 and 3.8 versions.
Also the warnings.showwarning wrapper seems working in both versions.

Could you @stepan-tsirkin double check?

[stepan-tsirkin]

This PR is substituted with #21 , which is now merged