[Wien] Compilation error of Libxc during installation of WIEN2K 23.2

Mon Mar 25 16:07:58 CET 2024

Sorry Peter,

I just realised the mistake. Please ignore my earlier mail. I will try to compile the libxc and wien2k again.

With warm regards,
Pranjal

-----Original Message-----
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> On Behalf Of Pranjal Nandi
Sent: Monday, March 25, 2024 4:06 PM
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

Dear Peter,

Thank you.

I might have downloaded it from a different website but I did compile it.

Just now I downloaded it from the link you had shared and tried to compile, when I gave the command autoreconf -i --force, I get this error.

autoreconf: error: 'configure.ac' is required

Kindly guide what should I do.

Thank you.

With warm regards,
Pranjal

-----Original Message-----
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> On Behalf Of Peter Blaha
Sent: Monday, March 25, 2024 3:59 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

The libxc site has been moved recently to:

https://libxc.gitlab.io/

After download, you have to compile it. Did you do this ?

Then you need to configure wien2k in siteconfig properly for using libxc.

Am 25.03.2024 um 15:29 schrieb Pranjal Nandi:
> Dear All,
>
> Hello.
>
> While compiling the 23.2 version, the link mentioned in the pdf (which
> contains the codes used for the compilation) to install libxc was NOT
> working
> (http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz <http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz>).
>
> So I tried to download it from other websites and did the compilation.
> The only errors I saw are as the following.
>
> Fatal Error: Cannot open module file ‘xc_f03_lib_m.mod’ for reading at
> (1): No such file or directory
>
> compilation terminated.
>
> make[1]: *** [Makefile:176: libxc_mod.o] Error 1
>
> make[1]: Leaving directory '/home/pranjal2/WIEN2K/SRC_lapw0'
>
> make: *** [Makefile:129: para] Error 2
>
> It would be helpful if you could please guide me with the correct link
> to the libxc (I think it is because of downloading the libxc from
> other websites and not TDDFT).
>
> I also searched the forum regarding the same but I got comments about
> a very old version. Hence, I decided to ask the community for your
> assistance.
>
> Looking forward to your guidance.
>
> Thank you.
>
> With warm regards,
>
> Pranjal
>
>
>
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--
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
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Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener información confidencial o legalmente protegida y está exclusivamente dirigido a la persona o entidad destinataria. Si usted no consta como destinatario final ni es la persona encargada de recibirlo, no está autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido por error, informe de ello al remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos que pueda contener.

This email message and any attachments it carries may contain confidential or legally protected material and are intended solely for the individual or organization to whom they are addressed. If you are not the intended recipient of this message or the person responsible for processing it, then you are not authorized to read, save, modify, send, copy or disclose any part of it. If you have received the message by mistake, please inform the sender of this and eliminate the message and any attachments it carries from your account.
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Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir informació confidencial o protegida legalment i s’adreça exclusivament a la persona o entitat destinatària. Si no consteu com a destinatari final o no teniu l’encàrrec de rebre’l, no esteu autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error, informeu-ne el remitent i elimineu del sistema tant el missatge com els fitxers adjunts que hi pugui haver.

Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener información confidencial o legalmente protegida y está exclusivamente dirigido a la persona o entidad destinataria. Si usted no consta como destinatario final ni es la persona encargada de recibirlo, no está autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido por error, informe de ello al remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos que pueda contener.

This email message and any attachments it carries may contain confidential or legally protected material and are intended solely for the individual or organization to whom they are addressed. If you are not the intended recipient of this message or the person responsible for processing it, then you are not authorized to read, save, modify, send, copy or disclose any part of it. If you have received the message by mistake, please inform the sender of this and eliminate the message and any attachments it carries from your account.