yambo-code / yambo

This is the official GPL repository of the yambo code
http://www.yambo-code.eu/
GNU General Public License v2.0
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Libxc>5 #36

Closed antoscha closed 3 years ago

antoscha commented 3 years ago

Hi,

Do you plan to make possible using the new API of Libxc?

mod_cusolverdn_y.F mod_pars.F mod_openmp.F mod_units.F mod_drivers.F mod_lexical_sort.F mod_com_interfcs.F mod_descriptors.F mod_wrapper.F mod_FFT.F mod_matrix_operate.F mod_atom_proj.F mod_cutoff_ws.F mod_ACFDT.F mod_stderr.F mod_OUTPUT_simple.F mod_wrapper_omp.F mod_com.F mod_logo  mod_debug.F mod_memory.F mod_linear_algebra.F mod_frequency.F mod_PHEL.F mod_parallel.F mod_RT_occupations.F mod_cuda.F mod_SLK.F mod_matrix.F mod_R_lattice.F mod_electrons.F mod_X.F mod_xc_functionals.f90:32:6:

   32 |  use xc_f90_types_m
      |      1
Fatal Error: Cannot open module file ‘xc_f90_types_m.mod’ for reading at (1): No such file or directory
compilation terminated.

A.K.

sangallidavide commented 3 years ago

Dear Antoscha, yeah. Indeed it is already upgraded in the development branch. It means the interface to the most recent libxc will enter the next release 5.1. I think it will be available by the end of the year.