1This directory contains build settings for the KIM API library which is
2required to use the KIM package and its kim_init, kim_interactions, kim_query,
3and pair_kim commands in a LAMMPS input script.
4
5Information about the KIM project can be found at https://openkim.org.
6The KIM project is lead by Ellad Tadmor and Ryan Elliott (U Minn).
7Ryan Elliott is the main developer for the KIM API and he also
8maintains the code that implements the KIM commands.
9
10You can type "make lib-kim" from the src directory to see help on
11how to download and build this library via make commands, or you can
12do the same thing by typing "python Install.py" from within this
13directory, or you can do it manually by following the instructions
14below.
15
16Use of the kim_query command requires that the CURL library (libcurl)
17development package and its configuration query tool, curl-config, are
18installed. The provided Makefile.lammps is set up to automatically detect this.
19
20-----------------
21
22Instructions:
23
241. Configure lammps for use with the kim-api library installed in this directory
25
26# replace X.Y.Z as appropriate here and below
27$ printf "${PWD}/installed-kim-api-X-X.Y.Z" > ./kim-prefix.txt
28
292. Download and unpack the kim-api
30
31$ wget http://s3.openkim.org/kim-api/kim-api-X.Y.Z.txz
32$ tar zxvf kim-api-X.Y.Z.txz
33
34# configure the kim-api
35$ cd kim-api-X.Y.Z
36$ mkdir build && cd build
37$ cmake ..  -DCMAKE_INSTALL_PREFIX=${PWD}/../../installed-kim-api-X.Y.Z
38
393. Build and install the kim-api and model
40
41$ make -j2
42$ make -j2 install
43
444. Remove source and build files
45
46$ cd ../../
47$ rm -rf kim-api-X.Y.Z
48$ rm -rf kim-api-X.Y.Z.txz
49
505. To add items do the following (replace the kim item name with your
51   desired value)
52
53$ source ${PWD}/kim-api-X.Y.Z/bin/kim-api-activate
54$ kim-api-collections-management install system EAM_ErcolessiAdams_1994_Al__MO_324507536345_002
55
56
57-----------------
58
59When these steps are complete you can build LAMMPS with the KIM
60package installed:
61
62$ cd lammpos/src
63$ make yes-kim
64$ make g++ (or whatever target you wish)
65
66Note that the Makefile.lammps file in this directory is required to
67allow the LAMMPS build to find the necessary KIM files.  You should
68not normally need to edit these files.
69