ABINIT configure missing libraries

option, parallelism,...

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ssh77
Posts: 23
Joined: Fri May 22, 2020 6:00 pm

ABINIT configure missing libraries

Post by ssh77 » Fri May 22, 2020 6:09 pm

Hi,
I am a new user of ABINIT and wanted to install it properly on my laptop with Fedora Scientific.

Currently I am stuck at the ./configure step and have tried to use the suggested fallbacks.sh.

I get the following messages:

+------------------------------------------------------------------+
| CAUTION : HDF5 is MANDATORY ! |
+------------------------------------------------------------------+
| suggestion : use with_hdf5 in the ac9 file |
| |
| Note : NetCDF and NetCDFF depend of HDF5. So we can not test |
| the functioning of NetCDF and NetCDFF. |
+------------------------------------------------------------------+


+------------------------------------------------------------------+
| CAUTION : LibXC is MANDATORY ! |
+------------------------------------------------------------------+
| suggestion : use with_libxc in the ac9 file |
+------------------------------------------------------------------+


+------------------------------------------------------------------+
| We can help you ! |
+------------------------------------------------------------------+
| As you have problems with mandatory librairies, |
| we can create them for you. Please issue: |
| |
| cd fallbacks |
| ./build-abinit-fallbacks.sh |
| |
| At the end of the process, options pointing |
| to functional libraries will be proposed. |
| |
| Just copy/paste the options in your ac9 file. |
+------------------------------------------------------------------+


+------------------------------------------------------------------+
| Problems must be solved before continuing |
+------------------------------------------------------------------+





My problem is that I have installed LibXC and hdf5 using dnf install ....
Also I don't understand what the .ac file is, I tried to create a new file just ending in .ac9 and added the suggested with_...pathways in it but nothing happened when I re-run the ./configure, still get the same message that needs to be taken care of.
How do I make the .ac9 file to work? what directory do I put it in? and how does ABINIT know where to look for it if I select a random name for it?

Thanks for the help in advance!
ssh77

ssh77
Posts: 23
Joined: Fri May 22, 2020 6:00 pm

Re: ABINIT configure missing libraries

Post by ssh77 » Sun May 24, 2020 5:43 pm

I managed to get around it by installing the previous version of ABINIT instead. I'll wait until version 9 includes the libraries during installation.
ssh77

ebousquet
Posts: 469
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: ABINIT configure missing libraries

Post by ebousquet » Mon May 25, 2020 7:10 am

Dear ssh77,
Did you run the configure by telling it the path of your config file (./configure --with-config-file="CONFIGFILENAME.ac9")?
Best wishes,
Eric

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