[Wien] WIEN2k_17.1

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Thu Sep 21 13:42:35 CEST 2017


Dear Pavel,

yes, as already mentioned, a blank is needed before
"--prefix=$LIBXCDIR". I've just checked that this is the problem.

Not related to this, it's better to correct a mistake in the Makefile
of SRC_lapw0: Replace LIBXCDIR by LIBXCROOT

FT

On Thursday 2017-09-21 11:53, Yundi Quan wrote:

>Date: Thu, 21 Sep 2017 11:53:08
>From: Yundi Quan <yquan at ucdavis.edu>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: Re: [Wien] WIEN2k_17.1
>
>Should there be a space between "ifort" and "--prefix"?
>"./configure FC=ifort --prefix=$LIBXCDIR"
>
>On Thu, Sep 21, 2017 at 2:41 AM, <novakp at fzu.cz> wrote:
>      Dear WIEN users,
>
>       I successfully compiled WIEN2k_17.1 with the exception of
>      lapw0. As
>      required in User's Guide (11.1.2) I downloaded libxc-3.00.
>      However, after
>      ./configure FC=ifort--prefix=$LIBXCDIR error appeared:
>
>      checking for Fortran flag to compile .f90 files... unknown
>      configure: error: Fortran could not compile .f90 files
>
>      I then changed in configure f90 to f, but a new error appeared:
>
>      configure: error: in `/storage/praha1/home/novakpa/libxc-3.0.0':
>      configure: error: f program to find the size of a Fortran
>      integer failed
>
>      Can you help please.
>
>      Pavel
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>
>
>


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