Installation requirements
The Installation requirements for the executables work are:
1) python3.4 or python3.5.
2) the GNU LAPACK and BLAS installed in a GNU/Linux shared environment:
user: ldd fit_dgels.so
linux-vdso.so.1 => (0x00007ffc25ff4000)
liblapack.so.3 => /usr/lib/liblapack.so.3 (0x00007f4d37d45000)
libgfortran.so.3 => /usr/lib/x86_64-linux-gnu/libgfortran.so.3 (0x00007f4d37a2b000)
libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f4d37725000)
libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f4d3750f000)
libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f4d37146000)
libblas.so.3 => /usr/lib/libblas.so.3 (0x00007f4d36b7a000)
libquadmath.so.0 => /usr/lib/x86_64-linux-gnu/libquadmath.so.0 (0x00007f4d3693e000)
/lib64/ld-linux-x86-64.so.2 (0x00007f4d386e3000)
libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007f4d36720000)
3) the DFTB+ version 1.2.
The dftb+ executable path has to be set into the "test_models" folder into the "run_dftb.sh" script.
