git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8337 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
27
src/KIM/Makefile.lammps
Normal file
27
src/KIM/Makefile.lammps
Normal file
@ -0,0 +1,27 @@
|
||||
This file contains the hooks to build and link LAMMPS with the OpenKIM
|
||||
library so that a LAMMPS input script can use a KIM potential, via the
|
||||
pair_style kim command.
|
||||
|
||||
You should first download KIM from www.openkim.org. Then build its
|
||||
library API in KIM_API, with the models (potentials) you want to use.
|
||||
You should then have the files:
|
||||
|
||||
openkim/KIM_API/libkim.a
|
||||
openkim/KIM_API/libkim.so
|
||||
|
||||
When you build LAMMPS with the KIM package installed, it will use the
|
||||
3 settings in this file. They should be set as follows. Note that
|
||||
they depend on the KIM_DIR environment variable being set, which is
|
||||
typically done when you build the KIM_API library.
|
||||
|
||||
kim_SYSINC = a path to the KIM_API directory that contains *.h files
|
||||
kim_SYSLIB = the KIM library
|
||||
kim_SYSPATH = a path to the KIM library
|
||||
|
||||
# -----------------------------------------------------------
|
||||
|
||||
# Settings that the LAMMPS build will import when this package is installed
|
||||
|
||||
kim_SYSINC = -I${KIM_DIR}/KIM_API
|
||||
kim_SYSLIB = -lkim
|
||||
kim_SYSPATH = -L${KIM_DIR}/KIM_API
|
||||
29
src/USER-MOLFILE/Makefile.lammps
Normal file
29
src/USER-MOLFILE/Makefile.lammps
Normal file
@ -0,0 +1,29 @@
|
||||
This file contains the hooks to build and link LAMMPS with the VMD
|
||||
molfile plugins described here:
|
||||
|
||||
http://www.ks.uiuc.edu/Research/vmd/plugins/molfile
|
||||
|
||||
When you build LAMMPS with the USER-MOLFILE package installed, it will
|
||||
use the 3 settings in this file. They should be set as follows.
|
||||
|
||||
The molfile_SYSLIB setting is for a system dynamic loading library
|
||||
that will be used to load the molfile plugins. It contains functions
|
||||
like dlopen(), dlsym() and so on for dynamic linking of executable
|
||||
code into an executable. For Linux and most current Unix-like
|
||||
operating systems, the setting of "-ldl" will work. On some platforms
|
||||
you may need "-ldld". For compilation on Windows, a different
|
||||
mechanism is used that is part of the Windows programming environment
|
||||
and thus molfile_SYSLIB can be left blank.
|
||||
|
||||
The molfile_SYSINC and molfile_SYSPATH variables do not typically need
|
||||
to be set. If the dl library is not in a place the linker can find
|
||||
it, specify its directory via the molfile_SYSPATH variable, e.g.
|
||||
-Ldir.
|
||||
|
||||
# -----------------------------------------------------------
|
||||
|
||||
# Settings that the LAMMPS build will import when this package is installed
|
||||
|
||||
molfile_SYSINC =
|
||||
molfile_SYSLIB = -ldl
|
||||
molfile_SYSPATH =
|
||||
Reference in New Issue
Block a user