installation of Libra

[Kamal Dhungana]

I installed Libra successfully. I followed exactly all the steps as described in  https://www.acsu.buffalo.edu/~alexeyak/libra/installation.html. Now, when I import liblibra_core ( or from liblibra_core import *) from the terminal, it shows the the following massage:

__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Atom_Record already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Atom_Record, std::allocator<liblibra::libforcefield::Atom_Record> >, false> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Bond_Record already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Bond_Record, std::allocator<liblibra::libforcefield::Bond_Record> >, false> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Angle_Record already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Angle_Record, std::allocator<liblibra::libforcefield::Angle_Record> >, false> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Dihedral_Record already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for boost::python::detail::container_element<std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> >, unsigned long, boost::python::detail::final_vector_derived_policies<std::vector<liblibra::libforcefield::Dihedral_Record, std::allocator<liblibra::libforcefield::Dihedral_Record> >, false> > already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::Fragment_Record already registered; second conversion method ignored.

__main__:1: RuntimeWarning: to-Python converter for liblibra::libforcefield::ForceField already registered; second conversion method ignored.

Is it only due to the difference in boost versions or something else? Is it harmless massage?  I did some test calculations (from .../libracode-code/tests/ folder) and test calculations run well.

Best Regards,

Kamal

[Alexey Akimov]

Hi Kamal,

Great to hear it worked well!  The messages you get is not a problem at all - you can disregard them.

Best,

Alexey

[Kamal Dhungana]

Dear Prof. Akimov,

Thank you very much for your response and conforming that this is a harmless massage.

Best Regards,

Kamal