[gpaw-users] gpaw installation problem

[Jens Jørgen Mortensen]

On 11/28/2016 04:02 PM, hüseyin aksu via gpaw-users wrote:
>
> 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 should not be an xc.h file in GPAW's c/xc/ folder - is there? The 
xc.h file you need is the one from libxc.  Maybe you need to tell GPAW 
about the path to libxc's xc.h:

     https://wiki.fysik.dtu.dk/gpaw/install.html#libxc-installation

Jens Jørgen

> 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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