[Wien] install WIEN2k_21.1 on Ubuntu 21.04

[Laurence Marks]

I installed it in Ubuntu under WLS on my Windows laptop. It is not
efficient, but something like

sudo apt-get install *mkl*

Should show/get everything (or *Intel* or *oneapi*). You can always remove
pieces later.

Note: I think Intel is now calling ifort the Classic compiler, they appear
to be migrating to LLVM.

--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what
nobody else has thought" Albert Szent-Györgyi

On Tue, Oct 12, 2021, 6:31 AM Victor Zenou <zanov at post.bgu.ac.il> wrote:

> Dear Yundi
> Adding intel64 didn;t improve, and from other answers its seems that I
> need to change intel package
>
> ‫בתאריך יום ג׳, 12 באוק׳ 2021 ב-14:15 מאת ‪Yundi Quan‬‏ <‪
> yquan at ucdavis.edu‬‏>:‬
> >
> > The command should be
> > "source /opt/intel/oneapi/setvars.sh intel64"
> >
> >
> https://urldefense.com/v3/__https://stackoverflow.com/questions/67553895/how-to-source-the-setvars-sh-file-of-oneapi-inside-a-sh-file__;!!Dq0X2DkFhyF93HkjWTBQKhk!Aq2XyVQbi-fjqCkt3x1ebESbwBii5UP5A547r09gcjuD-RH2h3n6Is_nqdZf9CRnckdqCw$
> >
> > On Tue, Oct 12, 2021 at 7:12 PM Victor Zenou <zanov at post.bgu.ac.il>
> wrote:
> >>
> >> Dear all
> >>
> >> I’m trying to install WIEN2k_21.1 on Ubuntu 21.04.
> >>
> >> I updated and installed few system packages:
> >>
> >> sudo apt update
> >>
> >> sudo apt install build-essential gcc-multilib rpm default-jre-headless
> >> python tcsh gnuplot
> >>
> >> sudo apt install autoconf libtool ghostscript octave
> >>
> >>
> >> I downloaded and installed “Intel® oneAPI Base Toolkit” which suppose
> >> to have ifort complier and mkl. I also add a line to bashrc:
> >>
> >> source /opt/intel/oneapi/setvars.sh
> >>
> >>
> >>
> >> The command “ifort -v”, gives “Command 'ifort' not found,...”
> >>
> >>
> >> ./siteconfig_lapw give the following message:
> >>
> >> It seems you do not have the intel fortran compiler in your path.
> >>
> >>
> >> So it seems that my intel compiler either dio not exist or not in the
> path.
> >>
> >> How can I check that/
> >>
> >>
> >> Any suggestions on how to proceed?
> >>
> >>
> >> Best regards, victor Zenou
> >> _______________________________________________
> >> Wien mailing list
> >> Wien at zeus.theochem.tuwien.ac.at
> >>
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