ABINIT Discussion Forums

Hi everyone!

I am trying to compile ABINIT 6.12.1 with the FoX library to be able to use *xml pseudopotentials but I have some problems with the generation of the config.mk file, I can not enable the Fox option --enable-fox
I type ./configure --enable-fox FC=ifort CC=icc CXX=c++ and get something like this

....

configure: fallbacks to enable => atompaw bigdft etsf_io libxc linalg netcdf wannier90
checking whether to build atompaw... yes
checking whether to build bigdft... yes
checking whether to build etsf_io... yes
checking whether to build fox... no
checking whether to build libxc... yes
checking whether to build linalg... yes
checking whether to build netcdf... yes
checking whether to build wannier90... yes
configure: using tarball repository /home/MAPerez/.abinit/tarballs

......

=== configuring in fallbacks (/home/MAPerez/abinit/test2/abinit-6.12.1/fallbacks)
configure: running /bin/sh ./configure --disable-option-checking '--prefix=/usr/local' '--enable-fox=yes' 'FC=ifort' 'CC=icc' 'CXX=c++' '--enable-gui-build=yes' '--enable-atompaw=yes' '--enable-bigdft=yes' '--enable-etsf-io=yes' '--enable-fox=no' '--enable-libxc=yes' '--enable-linalg=yes' '--enable-netcdf=yes' '--enable-wannier90=yes' '--with-fc-vendor=intel' '--with-fc-version=10.1' '--with-tardir=/home/MAPerez/.abinit/tarballs' --cache-file=/dev/null --srcdir=.

....

=== configuring in tests (/home/MAPerez/abinit/test2/abinit-6.12.1/tests)
configure: running /bin/sh ./configure --disable-option-checking '--prefix=/usr/local' '--enable-fox=yes' 'FC=ifort' 'CC=icc' 'CXX=c++' '--enable-gui-build=yes' '--enable-atompaw=yes' '--enable-bigdft=yes' '--enable-etsf-io=yes' '--enable-fox=no' '--enable-libxc=yes' '--enable-linalg=yes' '--enable-netcdf=yes' '--enable-wannier90=yes' '--with-fc-vendor=intel' '--with-fc-version=10.1' '--with-tardir=/home/MAPerez/.abinit/tarballs' --cache-file=/dev/null --srcdir=.


Could you give me advices to make CONFIGURE enables this library?

Thanks.

Miguel Angel

Hi Miguel,

FoX is currently supported and tested with GCC and XLF compilers...

I can try with fort 10.1, 11.1 and 12.1

what is the version of your compiler ?

regards

jmb

Hi JMB!

I am using ifort 10.1, the same version for icc and 4.1.2 for c++
I think the problem is that ./configure does not recognize the option --enable-fox as input and uses the default value for it (=NO), since I have checked ./configure -help and found --enable-fox is not an option.

Thanks again.

Miguel Angel

Hi,

you must use, with abinit version 6.12.1,

--with-trio-flavor=netcdf+etsf_io+fox

the compilation works for me with FoX-4.1.2...but not the tests
segfault !

regards

jmb

but tests of FoX succeed with the last version of ifort Version 12.1.1.256

jmb