[Wien] WIEN2k 19.1 siteconfig libxc

[Gavin Abo]

The siteconfig_lapw script of 19.1 seems to have an issue where lib is 
missing in the libxc path.

In siteconfig_lapw, lines 1097-1099 are:
               set tmp_xc = `dirname $tmp_xc`
               set LIBXCROOT = `dirname $tmp_xc`/
               set LIBXC_DNAME = `basename $tmp_xc`

The problem seems fixed in my case by changing to:

               set LIBXC_DNAME = `basename $tmp_xc`
               set tmp_xc = `dirname $tmp_xc`
               set LIBXCROOT = `dirname $tmp_xc`/
               set LIBXC_LIBDNAME = `basename $tmp_xc`

I updated siteconfig_lapw.patch for 19.1 at [1] with those changes.

[1] https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1

*Libxc was installed as follows:*

username at computername:~$ cd ~
username at computername:~$ wget 
http://www.tddft.org/programs/octopus/down.php?file=libxc/4.3.4/libxc-4.3.4.tar.gz
...
username at computername:~$ ls -l 
down.php\?file\=libxc%2F4.3.4%2Flibxc-4.3.4.tar.gz
-rw-r--r-- 1 username username 15602575 Mar  4 16:46 
'down.php?file=libxc%2F4.3.4%2Flibxc-4.3.4.tar.gz'
username at computername:~$ tar xvf 
down.php\?file\=libxc%2F4.3.4%2Flibxc-4.3.4.tar.gz
...
username at computername:~$ cd libxc-4.3.4/
username at computername:~/libxc-4.3.4$ autoreconf -i --force
...
src/Makefile.am: installing './depcomp'
username at computername:~/libxc-4.3.4$ ./configure FC=ifort CC=icc 
--prefix=$HOME/libxc-4.3.4
...
config.status: executing libtool commands
username at computername:~/libxc-4.3.4$ make
...
make[1]: Leaving directory '/home/username/libxc-4.3.4'
username at computername:~/libxc-4.3.4$ make check
...
PASS: xc-run_testsuite
============================================================================
Testsuite summary for libxc 4.3.4
============================================================================
# TOTAL: 1
# PASS:  1
# SKIP:  0
# XFAIL: 0
# FAIL:  0
# XPASS: 0
# ERROR: 0
============================================================================
...
username at computername:~/libxc-4.3.4$ make install
...
make[1]: Leaving directory '/home/username/libxc-4.3.4'
username at computername:~/libxc-4.3.4$ ls ~/libxc-4.3.4/lib
libxc.a  libxcf03.a  libxcf03.la  libxcf90.a  libxcf90.la libxc.la  
pkgconfig

*siteconfig with the issue*

**********************************************************************
    *                       Specify LIBXC settings                       *
**********************************************************************

  Would you like to use LIBXC (that you have installed - usually not 
needed)? (y,N):
y
  To abort the LIBXC setup enter 'x' at any point!

  Do you want to automatically search for LIBXC installations? (Y,n):
Y
  Please specify a comma separated list of directories to search! (If no 
list is entered, /usr/local and /opt will be searched as default):
/home/username/libxc-4.3.4
  Finding the required library in /home/username/libxc-4.3.4 ...

  More than one libxc was found in the specified directory(ies).
  Pick one of the following (enter the number of the line of your choice 
or 0 to manually specify a path)!:
/home/username/libxc-4.3.4/src/.libs/libxc.a
/home/username/libxc-4.3.4/lib/libxc.a
2

********************************************************************
    *                          LIBXC Summary                           *
********************************************************************


  Your LIBXC options are:    -DLIBXC -I/home/username/libxc-4.3.4/include/
  Your LIBXC libraries are:  -L/home/username/libxc-4.3.4// -lxcf03 -lxc

  NOTE that we assumed the names of the necessary libraries to be:
     xc     and
     xcf03  (Fortran interface).

  If in your LIBXC version those libraries have different names, please
  change LIBXC_LIBNAME and LIBXC_FORTRAN manually to the correct ones!

      Press RETURN to continue

    WARNING:
    Not all required library files end in .so or .a (libxc and libxcf03) 
in your specified LIBXCROOT (usually
    needed when linking with the -l option in the Makefile).
    In case you cannot link against the present libraries, you have two 
possibilities:

     1) If you can, provide a symlink with a valid suffix pointing to 
your actual file
        (ln -s your_lib_file your_lib_file.so).
     2) Otherwise, replace the -l option in the Makefile with the full 
path and the
        full name of your actual library.

    You have to do this for both libxc and libxcf03.

      Press RETURN to continue

*siteconfig with the above changes to the script
*

********************************************************************
    *                          LIBXC Summary                           *
********************************************************************


  Your LIBXC options are:    -DLIBXC -I/home/username/libxc-4.3.4/include/
  Your LIBXC libraries are:  -L/home/username/libxc-4.3.4/lib/ -lxcf03 -lxc

  NOTE that we assumed the names of the necessary libraries to be:
     xc     and
     xcf03  (Fortran interface).

  If in your LIBXC version those libraries have different names, please
  change LIBXC_LIBNAME and LIBXC_FORTRAN manually to the correct ones!

      Press RETURN to continue

*********************************************************************
    *                       Specify FFTW settings                       *
*********************************************************************

  Do you want to use FFTW (recommended, but for sequential code not 
required)? (Y,n):
**

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