KIM: Install downloaded and built package

LAMMPS LAMMPS Installation
1

Hi,

I’m trying to install lammps with the optional KIM package. I got cmake to download and build kim, and then build lammps with kim and install lammps. But it appears that kim is not installed by the cmake --install . command. If I try to run lammps in python, I get the error

Python 3.10.9 (main, Dec  7 2022, 02:05:58) [Clang 11.0.3 (clang-1103.0.32.62)] on darwin
Type "help", "copyright", "credits" or "license" for more information.
>>> import lammps
>>> lmp = lammps.lammps()
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/Users/pbro/Library/Python/3.10/lib/python/site-packages/lammps/core.py", line 144, in __init__
    self.lib = CDLL(libpath,RTLD_GLOBAL)
  File "/opt/local/Library/Frameworks/Python.framework/Versions/3.10/lib/python3.10/ctypes/__init__.py", line 374, in __init__
    self._handle = _dlopen(self._name, mode)
OSError: dlopen(liblammps.dylib, 10): Library not loaded: @rpath/libkim-api.2.dylib
  Referenced from: /Users/pbro/.local/lib/liblammps.0.dylib
  Reason: image not found

The libkim-api.2.dylib sits happily in lammps/build/kim_build-prefix/lib, but has not been installed by the install command.

Is there a way for lammps to automatically also install the kim files (binaries, libraries) it built?

Thank you,

Peter

2

No, and it is not intended to be this way. The automatic download is mostly for LAMMPS testing.
If you want a usable OpenKIM API installation beyond running tests with LAMMPS, you need to do a proper OpenKIM installation first, then activate it, and only then configure and build LAMMPS. It will pick up your custom installation, if that was done properly.