[Wien] write_inwf syntaxerror

[Gavin Abo]

If your using WIEN2k_19.2, then only follow [3] (do not follow [1]).

Maybe you are not using your WIEN2k_19.2 installation directory but are 
still using your older WIEN2k version installation directory.

For example, in an older WIEN2k version, you might see write_inwf_lapw 
is version 1.0.0 and the same text as your error on line 58:

username at computername:~$ cd ~/WIEN2k17.1
username at computername:~/WIEN2k17.1$ sed -n 29p write_inwf_lapw
__version__ = "$version: v1.0.0-273-gaf9ce6b$"
username at computername:~/WIEN2k17.1$ sed -n 58p write_inwf_lapw
return np.array([float (s) for s in l[12:22], l[25:35], l[38:48]])

In WIEN2k_19.2, you should see write_inwf_lapw is version 2.0.0 and line 
58 has different text:

username at computername:~/WIEN2k17.1$ cd ~/WIEN2k19.2
username at computername:~/WIEN2k19.2$ sed -n 28p write_inwf_lapw
__version__ = "$version: v2.0.0-7-g4c51be8$"
username at computername:~/WIEN2k19.2$ sed -n 58p write_inwf_lapw
             def readloro():

You may want to check that WIENROOT in your .bashrc file is set to your 
WIEN2k_19.2 installation directory:

username at computername:~/WIEN2k19.2$ grep WIENROOT= ~/.bashrc
export WIENROOT=/home/username/WIEN2k19.2

If it is set as intended, you might also check that it has been set in 
your environment:

username at computername:~/WIEN2k19.2$ echo $WIENROOT
/home/username/WIEN2k19.2

If the environment is not showing the change after you have saved the 
new WIEN2k installation directory path in .bashrc, you may need to 
execute "source ~/.bashrc", or restart the terminal or computer.

On 12/28/2020 4:05 AM, Abhijit B K wrote:
> Dear Users,
>
> I am using WIEN2k_19.2.
>
> I am coming across the following error while running ''write_inwf"
>
>   File "/...../wien2k/write_inwf", line 58
> return np.array([float (s) for s in l[12:22], l[25:35], l[38:48]])
>                                                 ^
> SyntaxError: invalid syntax
>
> I would be grateful if someone could help me with this bug.
>
>
> Best wishes,
>
> Abhijit
>
> PS: I followed the [1] and [3] in the following recommendation but 
> the error persists.
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg20308.html 
> <https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg20308.html>
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