From f203258ad59c6d6462e11c3907d17d398dd339df Mon Sep 17 00:00:00 2001 From: Yaser Afshar Date: Mon, 16 Mar 2020 08:17:27 -0500 Subject: [PATCH] updating the Build_extras, KIM package --- doc/src/Build_extras.rst | 22 ++++++++++++++++++---- 1 file changed, 18 insertions(+), 4 deletions(-) diff --git a/doc/src/Build_extras.rst b/doc/src/Build_extras.rst index 4589015e35..45c876d84a 100644 --- a/doc/src/Build_extras.rst +++ b/doc/src/Build_extras.rst @@ -189,13 +189,27 @@ KIM package --------------------- To build with this package, the KIM library with API v2 must be downloaded -and built on your system. It must include the KIM models that you want to -use with LAMMPS. If you want to use the :doc:`kim_query ` +and built on your system. It must include the KIM models that you want to +use with LAMMPS. + +If you would like to use the :doc:`kim_query ` command, you also need to have libcurl installed with the matching development headers and the curl-config tool. -See the `Obtaining KIM Models `_ -web page to +If you would like to use the :doc:`kim_property ` +command, you need to build LAMMPS with the Python 3.6 or later package +installed. See the :doc:`Python ` doc page for more info on building +LAMMPS with the version of Python on your system. +After successfully building LAMMPS with Python, you need to +install the kim-property Python package, which can be easily done using +*pip* as ``pip install kim-property``, or from the *conda-forge* channel as +``conda install kim-property`` if LAMMPS is built in Conda. More detailed +information is available at: +`kim-property installation `_. + +In addition to installing the KIM API, it is also necessary to install the +library of KIM models (interatomic potentials). +See `Obtaining KIM Models `_ to learn how to install a pre-build binary of the OpenKIM Repository of Models. See the list of all KIM models here: https://openkim.org/browse/models