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<p>The siteconfig_lapw script of 19.1 seems to have an issue where
lib is missing in the libxc path.</p>
<p>In siteconfig_lapw, lines 1097-1099 are:<br>
set tmp_xc = `dirname $tmp_xc`<br>
set LIBXCROOT = `dirname $tmp_xc`/<br>
set <font color="#ff0000">LIBXC_DNAME</font> =
`basename $tmp_xc`</p>
<p>The problem seems fixed in my case by changing to:</p>
<p> set <font color="#ff0000">LIBXC_DNAME</font> =
`basename $tmp_xc`<br>
set tmp_xc = `dirname $tmp_xc`<br>
set LIBXCROOT = `dirname $tmp_xc`/<br>
set LIBXC_<font color="#009900">LIBD</font>NAME =
`basename $tmp_xc`<br>
</p>
<p>I updated siteconfig_lapw.patch for 19.1 at [1] with those
changes.<br>
<br>
[1] <a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1</a><br>
</p>
<p><b>Libxc was installed as follows:</b></p>
<p>username@computername:~$ cd ~<br>
username@computername:~$ wget
<a class="moz-txt-link-freetext" href="http://www.tddft.org/programs/octopus/down.php?file=libxc/4.3.4/libxc-4.3.4.tar.gz">http://www.tddft.org/programs/octopus/down.php?file=libxc/4.3.4/libxc-4.3.4.tar.gz</a><br>
...<br>
username@computername:~$ ls -l
down.php\?file\=libxc%2F4.3.4%2Flibxc-4.3.4.tar.gz <br>
-rw-r--r-- 1 username username 15602575 Mar 4 16:46
'down.php?file=libxc%2F4.3.4%2Flibxc-4.3.4.tar.gz'<br>
username@computername:~$ tar xvf
down.php\?file\=libxc%2F4.3.4%2Flibxc-4.3.4.tar.gz<br>
...<br>
username@computername:~$ cd libxc-4.3.4/<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-4.3.4$">username@computername:~/libxc-4.3.4$</a> autoreconf -i --force<br>
...<br>
src/Makefile.am: installing './depcomp'<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-4.3.4$">username@computername:~/libxc-4.3.4$</a> ./configure FC=ifort CC=icc
--prefix=$HOME/libxc-4.3.4<br>
...<br>
config.status: executing libtool commands<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-4.3.4$">username@computername:~/libxc-4.3.4$</a> make<br>
...<br>
make[1]: Leaving directory '/home/username/libxc-4.3.4'<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-4.3.4$">username@computername:~/libxc-4.3.4$</a> make check<br>
...<br>
PASS: xc-run_testsuite<br>
============================================================================<br>
Testsuite summary for libxc 4.3.4<br>
============================================================================<br>
# TOTAL: 1<br>
# PASS: 1<br>
# SKIP: 0<br>
# XFAIL: 0<br>
# FAIL: 0<br>
# XPASS: 0<br>
# ERROR: 0<br>
============================================================================<br>
...<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-4.3.4$">username@computername:~/libxc-4.3.4$</a> make install<br>
...<br>
make[1]: Leaving directory '/home/username/libxc-4.3.4'<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-4.3.4$">username@computername:~/libxc-4.3.4$</a> ls ~/libxc-4.3.4/lib<br>
libxc.a libxcf03.a libxcf03.la libxcf90.a libxcf90.la
libxc.la pkgconfig<br>
</p>
<p><b>siteconfig with the issue</b></p>
<p>
**********************************************************************<br>
* Specify LIBXC
settings *<br>
**********************************************************************<br>
<br>
Would you like to use LIBXC (that you have installed - usually
not needed)? (y,N): <br>
y<br>
To abort the LIBXC setup enter 'x' at any point!<br>
<br>
Do you want to automatically search for LIBXC installations?
(Y,n):<br>
Y<br>
Please specify a comma separated list of directories to search!
(If no list is entered, /usr/local and /opt will be searched as
default):<br>
/home/username/libxc-4.3.4<br>
Finding the required library in /home/username/libxc-4.3.4 ...<br>
<br>
More than one libxc was found in the specified directory(ies).<br>
Pick one of the following (enter the number of the line of your
choice or 0 to manually specify a path)!:<br>
/home/username/libxc-4.3.4/src/.libs/libxc.a<br>
/home/username/libxc-4.3.4/lib/libxc.a<br>
2<br>
<br>
********************************************************************<br>
* LIBXC
Summary * <br>
********************************************************************<br>
<br>
<br>
Your LIBXC options are: -DLIBXC
-I/home/username/libxc-4.3.4/include/<br>
Your LIBXC libraries are: -L/home/username/<font color="#ff0000">libxc-4.3.4//</font>
-lxcf03 -lxc<br>
<br>
NOTE that we assumed the names of the necessary libraries to be:<br>
xc and<br>
xcf03 (Fortran interface).<br>
<br>
If in your LIBXC version those libraries have different names,
please<br>
change LIBXC_LIBNAME and LIBXC_FORTRAN manually to the correct
ones!<br>
<br>
Press RETURN to continue<br>
<br>
WARNING:<br>
Not all required library files end in .so or .a (libxc and
libxcf03) in your specified LIBXCROOT (usually <br>
needed when linking with the -l option in the Makefile).<br>
In case you cannot link against the present libraries, you have
two possibilities:<br>
<br>
1) If you can, provide a symlink with a valid suffix pointing
to your actual file<br>
(ln -s your_lib_file your_lib_file.so).<br>
2) Otherwise, replace the -l option in the Makefile with the
full path and the<br>
full name of your actual library.<br>
<br>
You have to do this for both libxc and libxcf03.<br>
<br>
Press RETURN to continue<br>
</p>
<p><b>siteconfig with the above changes to the script<br>
</b></p>
<p>
********************************************************************<br>
* LIBXC
Summary * <br>
********************************************************************<br>
<br>
<br>
Your LIBXC options are: -DLIBXC
-I/home/username/libxc-4.3.4/include/<br>
Your LIBXC libraries are: -L/home/username/<font color="#ff0000">libxc-4.3.4/lib/</font>
-lxcf03 -lxc<br>
<br>
NOTE that we assumed the names of the necessary libraries to be:<br>
xc and<br>
xcf03 (Fortran interface).<br>
<br>
If in your LIBXC version those libraries have different names,
please<br>
change LIBXC_LIBNAME and LIBXC_FORTRAN manually to the correct
ones!<br>
<br>
Press RETURN to continue<br>
<br>
*********************************************************************<br>
* Specify FFTW
settings *<br>
*********************************************************************<br>
<br>
Do you want to use FFTW (recommended, but for sequential code not
required)? (Y,n): <br>
<b></b></p>
</body>
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