[gpaw-users] gpaw installation problem

[hüseyin aksu]

Dear gpaw users

I installed GPAW successfuly in my old work laptop sometime ago.

(And I have cited once out of publication)

I try to install in my new laptop and having some problems.

It is about the xc.h header file which is not found on its location.


I have installed libxc-3.0.0 and it gives some error during `make` but after `make install`

 it says:

........................

libtool: finish: PATH="usr/bin/ase:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/usr/local/gmt512/bin:/usr/local/mbsystem/bin:/usr/local/OTPS2:/sbin" ldconfig -n /home/aksu/libxc-3.0.0/include/lib
----------------------------------------------------------------------
Libraries have been installed in:
   /home/aksu/libxc-3.0.0/include/lib

If you ever happen to want to link against installed libraries
in a given directory, LIBDIR, you must either use libtool, and
specify the full pathname of the library, or use the '-LLIBDIR'
flag during linking and do at least one of the following:
   - add LIBDIR to the 'LD_LIBRARY_PATH' environment variable
     during execution
   - add LIBDIR to the 'LD_RUN_PATH' environment variable
     during linking
   - use the '-Wl,-rpath -Wl,LIBDIR' linker flag
   - have your system administrator add LIBDIR to '/etc/ld.so.conf'

See any operating system documentation about shared libraries for
more information, such as the ld(1) and ld.so(8) manual pages.
----------------------------------------------------------------------
 /bin/mkdir -p '/home/aksu/libxc-3.0.0/include/bin'
  /bin/bash ../libtool   --mode=install /usr/bin/install -c xc-info '/home/aksu/libxc-3.0.0/include/bin'
libtool: install: /usr/bin/install -c xc-info /home/aksu/libxc-3.0.0/include/bin/xc-info
 /bin/mkdir -p '/home/aksu/libxc-3.0.0/include/include'
 /usr/bin/install -c -m 644 xc.h xc_config.h xc_unconfig.h '/home/aksu/libxc-3.0.0/include/include'
 /bin/mkdir -p '/home/aksu/libxc-3.0.0/include/include'
 /usr/bin/install -c -m 644 xc_funcs.h libxc_funcs_m.mod xc_f90_lib_m.mod xc_f90_types_m.mod xc_f03_lib_m.mod '/home/aksu/libxc-3.0.0/include/include'
make[3]: Leaving directory `/home/aksu/libxc-3.0.0/src'
make[2]: Leaving directory `/home/aksu/libxc-3.0.0/src'
make[1]: Leaving directory `/home/aksu/libxc-3.0.0/src'
Making install in testsuite
make[1]: Entering directory `/home/aksu/libxc-3.0.0/testsuite'
make[2]: Entering directory `/home/aksu/libxc-3.0.0/testsuite'
make[2]: Nothing to be done for `install-exec-am'.
make[2]: Nothing to be done for `install-data-am'.
make[2]: Leaving directory `/home/aksu/libxc-3.0.0/testsuite'
make[1]: Leaving directory `/home/aksu/libxc-3.0.0/testsuite'
make[1]: Entering directory `/home/aksu/libxc-3.0.0'
make[2]: Entering directory `/home/aksu/libxc-3.0.0'
make[2]: Nothing to be done for `install-exec-am'.
 /bin/mkdir -p '/home/aksu/libxc-3.0.0/include/include'
 /usr/bin/install -c -m 644 xc_version.h '/home/aksu/libxc-3.0.0/include/include'
make[2]: Leaving directory `/home/aksu/libxc-3.0.0'
make[1]: Leaving directory `/home/aksu/libxc-3.0.0'

....................................
...................................
..................................
I am not sure if it is a successful installation...then I continue to install gpaw

using (gpaw-1.1.0)


python setup.py install --user


it starts like that


running install
running build
running build_py
running build_ext
building '_gpaw' extension
x86_64-linux-gnu-gcc -pthread -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fPIC -DNPY_NO_DEPRECATED_API=7 -UNDEBUG -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/inc................
.......................
......................
and it ends like that
.......................
.......................
PIC -DNPY_NO_DEPRECATED_API=7 -UNDEBUG -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/include/python2.7 -c c/xc/libvdwxc.c -o build/temp.linux-x86_64-2.7/c/xc/libvdwxc.o -Wall -std=c99
x86_64-linux-gnu-gcc -pthread -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fPIC -DNPY_NO_DEPRECATED_API=7 -UNDEBUG -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/include/python2.7 -c c/xc/libxc.c -o build/temp.linux-x86_64-2.7/c/xc/libxc.o -Wall -std=c99
c/xc/libxc.c:10:16: fatal error: xc.h: No such file or directory
 #include <xc.h>
                ^
compilation terminated.
error: command 'x86_64-linux-gnu-gcc' failed with exit status 1

I could not find any usefull information why xc.h is not found in c/xc, although it is there.
There is a such issue before in the mailing list but it is old not the link that is given in the relevant reply is not exist anymore.

Can you help me ?
Best







Best Regards
Dr. H??seyin AKSU
________________________________
huseyinaksu26 at hotmail.com
huseyinaksu26 at yahoo.com
________________________________

???? ?? ?? ??
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