In case others encounter the same problem with installing WIEN2k 18.1.
Downloaded libxc-4.2.3.tar.gz from
http://www.tddft.org/programs/libxc/download/
Put it in my home directory, then in a terminal did:
username@computername:~/Desktop$ cd ~
username@computername:~$ ls libxc-4.2.3.tar.gz
libxc-4.2.3.tar.gz
username@computername:~$ tar -xvf libxc-4.2.3.tar.gz
...
username@computername:~$ mv libxc-4.2.3 libxc
username@computername:~$ cd libxc/
username@computername:~/libxc$ autoreconf -i --force
...
username@computername:~/libxc$ ./configure FC=ifort CC=cc
--prefix=$HOME/libxc
...
username@computername:~/libxc$ make
...
username@computername:~/libxc$ make check
...
username@computername:~/libxc$ make install
I'm using:
username@computername:~/libxc$ lsb_release -a
No LSB modules are available.
Distributor ID: Ubuntu
Description: Ubuntu 18.04 LTS
Release: 18.04
Codename: bionic
username@computername:~/libxc$ arch
x86_64
username@computername:~$ cd $WIENROOT
username@computername:~/WIEN2k$ cat WIEN2k_VERSION
WIEN2k_18.1 (Release 30/6/2018)
When compiling lapw0, I get libxc errors:
username@computername:~/WIEN2k$ ./siteconfig
...
Selection: R
...
Selection: S
...
Which program to recompile? lapw0
...
-L/home/username/libxc/lib64 -lxcf03 -lxc
ld: cannot find -lxcf03
ld: cannot find -lxc
...
Compile time errors (if any) were:
SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
SRC_lapw0/compile.msg:make: *** [seq] Error 2
...
Selection: Q
...
I found that the libxc library folder in WIEN2k 18.1 is hard coded in
siteconfig_lapw and Makefile to "lib64" while it was "lib" in WIEN2k 17.1:
username@computername:~/WIEN2k$ grep lib64 $WIENROOT/SRC_lapw0/Makefile
LIBXC_LIBS = -L$(LIBXCROOT)lib64 -l$(LIBXC_FORTRAN) -l$(LIBXC_LIBNAME)
As a workaround, I copied (or renamed) the lib folder created from the
libxc installation to lib64:
username@computername:~/WIEN2k$ cp -r ~/libxc/lib ~/libxc/lib64
username@computername:~/WIEN2k$ ls ~/libxc/lib64
libxc.a libxcf03.a libxcf03.la libxcf90.a libxcf90.la libxc.la
pkgconfig
Then, when I recompiled lapw0, the errors were gone:
username@computername:~/WIEN2k$ ./siteconfig
...
Which program to recompile? lapw0
...
Compile time errors (if any) were:
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