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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8340 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-06-19 20:06:27 +00:00
parent df9a095063
commit 0241b5ce29
4 changed files with 42 additions and 42 deletions
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2
src/KIM/Install.sh
View File

@ -14,7 +14,7 @@ if (test $1 = 1) then
sed -i -e '/^include.*KIM.*$/d' ../Makefile.package.settings
# multiline form needed for BSD sed on Macs
sed -i '4 i \
include KIM\/Makefile.lammps\
include ..\/KIM\/Makefile.lammps\
' ../Makefile.package.settings
fi

38
src/KIM/Makefile.lammps
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@ -1,22 +1,22 @@
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
# 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
# -----------------------------------------------------------

2
src/USER-MOLFILE/Install.sh
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@ -13,7 +13,7 @@ if (test $1 = 1) then
sed -i -e '/^include.*USER-MOLFILE.*$/d' ../Makefile.package.settings
# multiline form needed for BSD sed on Macs
sed -i '4 i \
include USER-MOLFILE\/Makefile.lammps\
include ..\/USER-MOLFILE\/Makefile.lammps\
' ../Makefile.package.settings
fi

42
src/USER-MOLFILE/Makefile.lammps
View File

@ -1,24 +1,24 @@
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.
# 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.
# -----------------------------------------------------------