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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