Update environment variables for KIM calculator

Yannick Couziniérequested to merge
yannick.couzinie/ase-dockers:master into master

As documented in ase!3026 the docker showed two problems

  • Running Kim with the lammpsrun simulator would raise the error that the lammps binary does not exist, so add $CALC/lammps/bin which contains the lammps binary to the $PATH environment variable ( 062a832a)
  • Running the lammpslib simulator would result in libkim-api.so.2: cannot open shared object file: No such file or directory, this is because the dynamic linker did not find the library files in $CALC/kim/kim-api/lib so add this to $LD_LIBRARY_PATH ( eea086b4)
Edited by Yannick Couzinié

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