I just installed oneAPI in Ubuntu 22.04 LTS.  As it turns out, the "sudo apt install intel-basekit" at [1] I did not have to use as the intel-basekit was automatically installed as a dependency of "sudo apt install intel-hpckit".  I did, however, have to setup the oneAPI repository in Ubuntu first by copying and pasting the commands from the Intel webpage [2].  A copy and paste of what was in my bash terminal while performing the oneAPI install is below (with some of the unneeded parts cut out to shorten it).  Below, you should see that ifort, icc, and mpiifort version 2021.6.0 are what currently get installed.

username@computername:~$ ifort -v
Command 'ifort' not found, did you mean:
  command 'fort' from deb fort-validator (1.5.3-1build1)
  command 'isort' from deb isort (5.6.4-1)
Try: sudo apt install <deb name>
username@computername:~$ wget -O- https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB \ | gpg --dearmor | sudo tee /usr/share/keyrings/oneapi-archive-keyring.gpg > /dev/null
...
username@computername:~$ echo "deb [signed-by=/usr/share/keyrings/oneapi-archive-keyring.gpg] https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
...
username@computername:~$ sudo apt-get update
...
username@computername:~$ sudo apt install intel-hpckit
...
Do you want to continue? [Y/n] Y
username@computername:~$ echo "source /opt/intel/oneapi/setvars.sh intel64" >> .bashrc
username@computername:~$ grep oneapi ~/.bashrc
source /opt/intel/oneapi/setvars.sh intel64
username@computername:~$ source ~/.bashrc
...
username@computername:~$ ifort -v
ifort version 2021.6.0
username@computername:~$ icc -v
icc version 2021.6.0 (gcc version 11.2.0 compatibility)
username@computername:~$ mpiifort -v
mpiifort for the Intel(R) MPI Library 2021.6 for Linux*
Copyright Intel Corporation.
ifort version 2021.6.0

[1] https://estuarine.jp/2021/03/install-oneapi/?lang=en
[2] https://www.intel.com/content/www/us/en/develop/documentation/installation-guide-for-intel-oneapi-toolkits-linux/top/installation/install-using-package-managers/apt.html#apt

Best Regards,

Gavin
WIEN2k user

On 7/24/2022 9:31 AM, Gavin Abo wrote:

The steps I use to install WIEN2k 21.1 in Ubuntu 22.04 LTS are in the document here:

https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k21.1_Ubuntu22.04_Install_with_gfortran.pdf

However, my steps use gfortran instead of oneAPI, so it might not help in your case.

I haven't tried the latest version of oneAPI with Ubuntu 22.04 LTS.  For oneAPI, steps 2, 3, 5 probably have to be replaced by:

sudo apt install intel-basekit
sudo apt install intel-hpckit
username@computername:~$ gedit ~/.bashrc
...
source /opt/intel/oneapi/setvars.sh intel64
...
username@computername:~$ source ~/.bashrc

In step 11 for oneAPI,

LG would need to change to LI

gfortran would change to ifort

gcc could stay the same or change to icc

Those are likely the major step changes, but there is probably some other minor related step changes you would have to adjust for.

Kind Regards,

Gavin
WIEN2k user

On 7/24/2022 5:05 AM, Victor Zenou wrote:

Dear Wien2k users,

I want to install Wien2k_21.1 on Ubuntu 22.04 LTS equipped with Intel I7 processors.

As Intel ifort compiler is no longer standalone and also Intel® Parallel Studio XE is no longer available as a stand-alone product, one can use Intel oneAPI 2022 or Intel oneAPI 2021 instead.

Also Intel mkl library could be found under "Intel® oneAPI MKL".

Few months ago I had to struggle with these different Intel's names/versions, etc. I kept getting error messages.

Now that I got a new computer I'd like to ask if someone recently installed Wien2k_21.1 on Ubuntu 22.04 LTS and can give me some directions?

Yes, I looked at Wien2k's FAQ, Wien2k mailing-list archive and Intel websites.

Also I'm not sure what I must have to do in order to have a fully efficient functioning computer, as we all know that even if you got the best machine money can buy, and for most of us this is not true, one needs to "prepare" it properly.

Best regards, Victor Zenou
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