Non-interactive shells can't run LAMMPS

[ilia-nikiforov-umn]

$ docker run --name kim_dev ghcr.io/openkim/developer-platform:latest-minimal lmp
lmp: error while loading shared libraries: liblammps.so.0: cannot open shared object file: No such file or directory

LD_LIBRARY_PATH is set in .bashrc, which is not called in non-interactive shells.

[ilia-nikiforov-umn]

@dskarls do you know why LD_LIBRARY_PATH=/usr/local/lib is needed in the first place? Shouldn't libraries in that directory be found automatically? I'm revisiting this because I discovered a strange behavior -- non-interactive shells of the full image CAN run find liblammps.so. Only the minimal image can't find it without loading .bashrc. I have confirmed that installing these packages in the minimal image fixes this, so something relevant happens in the Ubuntu configuration during their installation

developer-platform/docker/additional/Dockerfile

Line 11 in ebe8cb1

RUN apt-get update -qq \

[yafshar]

@ilia-nikiforov-umn By default, the linker searches in standard directories like /lib and /usr/lib. However, if your libraries are located in non-standard directories, such as /usr/local/lib, you need to set LD_LIBRARY_PATH to include these paths.

You can ensure that LD_LIBRARY_PATH includes /usr/local/lib when running your command:

docker run -e LD_LIBRARY_PATH=/usr/local/lib --name kim_dev ghcr.io/openkim/developer-platform:latest-minimal lmp

Or building the Docker image you can add the necessary environment variable or run ldconfig in the Dockerfile.

[ilia-nikiforov-umn]

@ilia-nikiforov-umn By default, the linker searches in standard directories like /lib and /usr/lib. However, if your libraries are located in non-standard directories, such as /usr/local/lib, you need to set LD_LIBRARY_PATH to include these paths.

You can ensure that LD_LIBRARY_PATH includes /usr/local/lib when running your command:

docker run -e LD_LIBRARY_PATH=/usr/local/lib --name kim_dev ghcr.io/openkim/developer-platform:latest-minimal lmp

Or building the Docker image you can add the necessary environment variable or run ldconfig in the Dockerfile.

Thanks! I didn't realize that /usr/local/lib was considered a "non-standard" directory. I was confused that /usr/local/lib was already listed in /etc/ld.so.conf.d/libc.conf, but I see now that it is not actually used until I run ldconfig.