[Wien] DMFT

[Gavin Abo]

Since the webpage at [1] shows Python (version 2) as a required package 
for DFT+ embedded DMFT (eDMFT), have you tried using that instead of 
Python3?


Most recent Linux distributions probably still have a Python2 package.


Take Ubuntu jammy 22.04 LTS as an example.  It has a Python2 package 
[2].  It can be installed according to [3] using:


sudo apt install python2


At [1] it has:


python setup.py


In old Linux distributions that would run Python2, but in new 
distribution might run Python3.


To tell it use Python2 in Ubuntu 22.04 LTS, reference [4] shows that 
command could be changed to:


python2 setup.py


Another approach might be to instead install conda [5] and setup conda 
environment [6] that only has Python2 installed which would likely allow 
the original "python setup.py" command to be used.


[1] http://hauleweb.rutgers.edu/tutorials/Installation.html

[2] https://packages.ubuntu.com/jammy/python2

[3] 
https://linuxconfig.org/install-python-2-on-ubuntu-22-04-jammy-jellyfish-linux

[4] 
https://www.fosslinux.com/39384/switching-between-python-2-and-3-versions-on-ubuntu-20-04.htm

[5] 
https://docs.conda.io/projects/conda/en/latest/user-guide/install/linux.html

[6] 
https://docs.conda.io/projects/conda/en/latest/user-guide/getting-started.html#managing-environments


Kind Regards,

Gavin

WIEN2k user


On 4/17/2023 12:16 PM, delamora via Wien wrote:
> I tried the DFT+eDMFT but it seems that it is no longer compatible 
> with Python3
> This is what Kristjan Haule commented;
> Unfortunately DFT+eDMFT is not yet available with Python3.
>    Kristjan
>
> So, are other options apart from TRIQS ?
>
> Saludos
>
> Pablo
> ------------------------------------------------------------------------
> Hi,
>
> you can use either TRIQS as suggested before or DFT+eDMFT:
> http://hauleweb.rutgers.edu/tutorials/Overview.html
> For me, the DFT+eDMFT was easier to install, but it may depend on the
> software you already have on the machine.
>
> Best regards,
> Sylwia
>
>
>
> W dniu 09.07.2021 05:24, delamora napisał(a):
> > Dear WIEN community;
> >  I want to do a DMFT calculation.
> >  My quetion is which package is good to be used with WIEN2k
> >  That is, it is easy to install and easy to run.
> >  I say this because I had a lot of trouble to install one package in
> > the past.
> >
> >  Thanks
> >
> >  Pablo
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