From 617a28d8f434355b853a3f241cc1cc0b0bcfd223 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 14 Aug 2012 20:18:19 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8657 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_python.html | 38 ++++++++++++++++++++++---------------- doc/Section_python.txt | 38 ++++++++++++++++++++++---------------- 2 files changed, 44 insertions(+), 32 deletions(-) diff --git a/doc/Section_python.html b/doc/Section_python.html index a3eedb1345..ad690d8e09 100644 --- a/doc/Section_python.html +++ b/doc/Section_python.html @@ -107,11 +107,11 @@ system.

For Python to invoke LAMMPS, there are 2 files it needs to have:

Lammps.py is the Python wrapper on the LAMMPS library interface. -Liblmp.so is the shared LAMMPS library that Python loads, as described -above. +Liblammps.so is the shared LAMMPS library that Python loads, as +described above.

You can insure Python can find these files in one of two ways:

@@ -125,32 +125,38 @@ this to your ~/.cshrc file, one line for each of the two files: 
setenv PYTHONPATH $PYTHONPATH:/home/sjplimp/lammps/python
 setenv LD_LIBRARY_PATH $LD_LIBRARY_PATH:/home/sjplimp/lammps/src
-

If you run the python/install.py script, you need to rerun it every +

If you use the python/install.py script, you need to invoke it every time you rebuild LAMMPS (as a shared library) or make changes to the python/lammps.py file.

You can invoke install.py from the python directory as

-
% python install.py 
+
% python install.py libdir pydir 
 

-
Prefix this command with "sudo" if it does not allow you to copy files
-into the Python site-packages directory.  If you do this, make sure
-that the Python run by root is the same as the Python you run.
-E.g. you may need to do something like
+
The optional libdir is where to copy the LAMMPS shared library to;
+the default is /usr/local/lib.  The optional pydir is where to copy
+the lammps.py file to; the default is the site-packages directory
+of the Python running the install script.
 

-
% sudo /usr/local/bin/python install.py 
+
Prefix the python command with "sudo" if it does not allow you to copy
+files into system directories.  If you do this, make sure that the
+Python that root runs is the same as the Python you run.  E.g. you may
+need to do something like
+

+
% sudo /usr/local/bin/python install.py libdir pydir 
 

 
You can also invoke install.py from the src directory as
 

 
% make install-python 
 

-
Again, you may need to prefix this with "sudo".  In this mode you
-cannot control which Python root invokes.
+
In this mode you cannot append optional arguments.  Again, you may
+need to prefix this with "sudo".  In this mode you cannot control
+which Python is invoked by root.
 

 
Note that if you want Python to be able to load different versions of
 the LAMMPS shared library (see this section below), you will
-need to manually copy files like lmplmp_g++.so into the site-packages
-directory as well.  This is not needed if you set the LD_LIBRARY_PATH
+need to manually copy files like lmplammps_g++.so into the appropriate
+system directory.  This is not needed if you set the LD_LIBRARY_PATH
 environment variable as described above.
 

 

@@ -368,8 +374,8 @@ at the file src/library.cpp you will see that they correspond
 one-to-one with calls you can make to the LAMMPS library from a C++ or
 C or Fortran program.
 

-
lmp = lammps()           # create a LAMMPS object using the default liblmp.so library
-lmp = lammps("g++")      # create a LAMMPS object using the liblmp_g++.so library
+
lmp = lammps()           # create a LAMMPS object using the default liblammps.so library
+lmp = lammps("g++")      # create a LAMMPS object using the liblammps_g++.so library
 lmp = lammps("",list)    # ditto, with command-line args, e.g. list = ["-echo","screen"]
 lmp = lammps("g++",list) 
 

diff --git a/doc/Section_python.txt b/doc/Section_python.txt
index 5e3d8f54fd..26a7bdbab0 100644
--- a/doc/Section_python.txt
+++ b/doc/Section_python.txt
@@ -103,11 +103,11 @@ system.
 For Python to invoke LAMMPS, there are 2 files it needs to have:
 
 python/lammps.py
-src/liblmp.so :ul
+src/liblammps.so :ul
 
 Lammps.py is the Python wrapper on the LAMMPS library interface.
-Liblmp.so is the shared LAMMPS library that Python loads, as described
-above.
+Liblammps.so is the shared LAMMPS library that Python loads, as
+described above.
 
 You can insure Python can find these files in one of two ways:
 
@@ -121,32 +121,38 @@ this to your ~/.cshrc file, one line for each of the two files:
 setenv PYTHONPATH ${PYTHONPATH}:/home/sjplimp/lammps/python
 setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:/home/sjplimp/lammps/src :pre
 
-If you run the python/install.py script, you need to rerun it every
+If you use the python/install.py script, you need to invoke it every
 time you rebuild LAMMPS (as a shared library) or make changes to the
 python/lammps.py file.
 
 You can invoke install.py from the python directory as
 
-% python install.py :pre
+% python install.py [libdir] [pydir] :pre
 
-Prefix this command with "sudo" if it does not allow you to copy files
-into the Python site-packages directory.  If you do this, make sure
-that the Python run by root is the same as the Python you run.
-E.g. you may need to do something like
+The optional libdir is where to copy the LAMMPS shared library to;
+the default is /usr/local/lib.  The optional pydir is where to copy
+the lammps.py file to; the default is the site-packages directory
+of the Python running the install script.
 
-% sudo /usr/local/bin/python install.py :pre
+Prefix the python command with "sudo" if it does not allow you to copy
+files into system directories.  If you do this, make sure that the
+Python that root runs is the same as the Python you run.  E.g. you may
+need to do something like
+
+% sudo /usr/local/bin/python install.py [libdir] [pydir] :pre
 
 You can also invoke install.py from the src directory as
 
 % make install-python :pre
 
-Again, you may need to prefix this with "sudo".  In this mode you
-cannot control which Python root invokes.
+In this mode you cannot append optional arguments.  Again, you may
+need to prefix this with "sudo".  In this mode you cannot control
+which Python is invoked by root.
 
 Note that if you want Python to be able to load different versions of
 the LAMMPS shared library (see "this section"_#py_5 below), you will
-need to manually copy files like lmplmp_g++.so into the site-packages
-directory as well.  This is not needed if you set the LD_LIBRARY_PATH
+need to manually copy files like lmplammps_g++.so into the appropriate
+system directory.  This is not needed if you set the LD_LIBRARY_PATH
 environment variable as described above.
 
 :line
@@ -363,8 +369,8 @@ at the file src/library.cpp you will see that they correspond
 one-to-one with calls you can make to the LAMMPS library from a C++ or
 C or Fortran program.
 
-lmp = lammps()           # create a LAMMPS object using the default liblmp.so library
-lmp = lammps("g++")      # create a LAMMPS object using the liblmp_g++.so library
+lmp = lammps()           # create a LAMMPS object using the default liblammps.so library
+lmp = lammps("g++")      # create a LAMMPS object using the liblammps_g++.so library
 lmp = lammps("",list)    # ditto, with command-line args, e.g. list = \["-echo","screen"\]
 lmp = lammps("g++",list) :pre