Hi Jean-Michel,
On 8/27/19 11:24 AM, Jean-Michel Beuken wrote:
it seems a problem of dependency...
you need to install ( for CentOS )
libxml2-2.9.1-6.el7_2.3.x86_64
libxml2-devel-2.9.1-6.el7_2.3.x86_64
and add this two environment variables in the config file
configopts += 'CFLAGS_EXTRA="-I/usr/include/libxml2" '
configopts += 'FC_LIBS_EXTRA="-lxml2 -lz -lm -ldl" '
Actually we already have the libxml2 EB module installed, so I changed
ABINIT-8.10.3-intel-2018b.eb to contain an extra line for a libxml2
dependency and added your suggested configopts lines:
...
dependencies = [
('libxc', '3.0.1'),
('netCDF', '4.6.1'),
('netCDF-Fortran', '4.4.4'),
('HDF5', '1.10.2'),
('Wannier90', '2.0.1.1', '-abinit'),
('AtomPAW', '4.1.0.5'),
('libxml2', '2.9.8'),
]
# ensure mpi and intel toolchain
configopts = '--enable-mpi '
# xml support
configopts += '--enable-xml '
configopts += 'FC_LIBS_EXTRA="-lxml2 -lz -lm -ldl" '
# openmp support
configopts += '--enable-openmp '
...
Now ABINIT builds successfully! Do you think it is a good idea to add
the XML support to the ABINIT .eb file in EasyBuild?
Thanks a lot for your support!
Best regards,
Ole
--
Ole Holm Nielsen
PhD, Senior HPC Officer
Department of Physics, Technical University of Denmark
