ImportError: libnetcdf.so.13

[niko97320]

Hi there,

I have tried to install ProtoCaller on a new machine and I am now confronted to the following. I have installed the package using the recommended conda command in a python 3.7 environnement.

ImportError                               Traceback (most recent call last)
<ipython-input-2-56575bd78640> in <module>
----> 1 import ProtoCaller

~/.conda/envs/protocaller/lib/python3.7/site-packages/ProtoCaller/__init__.py in <module>
    119 with _warnings.catch_warnings():
    120     _warnings.filterwarnings("ignore")
--> 121     from . import Ensemble
    122     from . import IO
    123     from . import Morph

~/.conda/envs/protocaller/lib/python3.7/site-packages/ProtoCaller/Ensemble/__init__.py in <module>
      5 import ProtoCaller as _PC
      6 from .Ligand import Ligand
----> 7 from .Perturbation import Perturbation
      8 from .PerturbationList import PerturbationList
      9 from .Protein import Protein

~/.conda/envs/protocaller/lib/python3.7/site-packages/ProtoCaller/Ensemble/Perturbation.py in <module>
      3
      4 # TODO support the native Morph class when it becomes viable
----> 5 import BioSimSpace as _BSS
      6
      7 from .Ligand import Ligand as _Ligand

~/.conda/envs/protocaller/lib/python3.7/site-packages/BioSimSpace/__init__.py in <module>
    133
    134 from . import Align
--> 135 from . import FreeEnergy
    136 from . import Gateway
    137 from . import IO

~/.conda/envs/protocaller/lib/python3.7/site-packages/BioSimSpace/FreeEnergy/__init__.py in <module>
     33 """
     34
---> 35 from ._binding import *
     36 from ._solvation import *

~/.conda/envs/protocaller/lib/python3.7/site-packages/BioSimSpace/FreeEnergy/_binding.py in <module>
     24 """
     25
---> 26 from . import _free_energy
     27 from .._SireWrappers import System as _System
     28

~/.conda/envs/protocaller/lib/python3.7/site-packages/BioSimSpace/FreeEnergy/_free_energy.py in <module>
     31 from Sire.Base import getBinDir as _getBinDir
     32
---> 33 import Sire.IO as _SireIO
     34 import Sire.Mol as _SireMol
     35

~/.conda/envs/protocaller/lib/python3.7/site-packages/Sire/IO/__init__.py in <module>
     11
     12 # Import all of the classes and functions from the C++ library
---> 13 from Sire.IO._IO import *
     14
     15 # Now define some pure Python functions and classes that are part of

ImportError: libnetcdf.so.13: cannot open shared object file: No such file or directory

[niko97320]

Seems to be fixed by the following conda install -c conda-forge pyvista "vtk=8.1.2" "libnetcdf=4.6.2"

[msuruzhon]

Hi there,

Thanks for that. This seems to be BioSimSpace issue - I will notify the developers and post updates here.