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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13222 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-11 15:27:19 +00:00
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3
doc/Section_python.html
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@ -86,8 +86,7 @@ this is a library file that ends in ".so", not ".a".
</P> </P>
<P>From the src directory, type <P>From the src directory, type
</P> </P>
<PRE>make makeshlib <PRE>make foo mode=shlib
make -f Makefile.shlib foo
</PRE> </PRE>
<P>where foo is the machine target name, such as linux or g++ or serial. <P>where foo is the machine target name, such as linux or g++ or serial.
This should create the file liblammps_foo.so in the src directory, as This should create the file liblammps_foo.so in the src directory, as

3
doc/Section_python.txt
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@ -82,8 +82,7 @@ this is a library file that ends in ".so", not ".a".
From the src directory, type From the src directory, type
make makeshlib make foo mode=shlib :pre
make -f Makefile.shlib foo :pre
where foo is the machine target name, such as linux or g++ or serial. where foo is the machine target name, such as linux or g++ or serial.
This should create the file liblammps_foo.so in the src directory, as This should create the file liblammps_foo.so in the src directory, as

48
doc/Section_start.html
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@ -1048,50 +1048,44 @@ more info on wrapping and running LAMMPS from Python.
</H5> </H5>
<P>To build LAMMPS as a static library (*.a file on Linux), type <P>To build LAMMPS as a static library (*.a file on Linux), type
</P> </P>
<PRE>make makelib <PRE>make foo mode=lib
make -f Makefile.lib foo
</PRE> </PRE>
<P>where foo is the machine name. This kind of library is typically used <P>where foo is the machine name. This kind of library is typically used
to statically link a driver application to LAMMPS, so that you can to statically link a driver application to LAMMPS, so that you can
insure all dependencies are satisfied at compile time. Note that insure all dependencies are satisfied at compile time. This will use
inclusion or exclusion of any desired optional packages should be done the ARCHIVE and ARFLAGS settings in src/MAKE/Makefile.foo. The build
before typing "make makelib". The first "make" command will create a will create the file liblammps_foo.a which another application can
current Makefile.lib with all the file names in your src dir. The link to. It will also create a soft link liblammps.a, which will
second "make" command will use it to build LAMMPS as a static library, point to the most recently built static library.
using the ARCHIVE and ARFLAGS settings in src/MAKE/Makefile.foo. The
build will create the file liblammps_foo.a which another application can
link to.
</P> </P>
<H5><B>Shared library:</B> <H5><B>Shared library:</B>
</H5> </H5>
<P>To build LAMMPS as a shared library (*.so file on Linux), which can be <P>To build LAMMPS as a shared library (*.so file on Linux), which can be
dynamically loaded, e.g. from Python, type dynamically loaded, e.g. from Python, type
</P> </P>
<PRE>make makeshlib <PRE>make foo mode=shlib
make -f Makefile.shlib foo
</PRE> </PRE>
<P>where foo is the machine name. This kind of library is required when <P>where foo is the machine name. This kind of library is required when
wrapping LAMMPS with Python; see <A HREF = "Section_python.html">Section_python</A> wrapping LAMMPS with Python; see <A HREF = "Section_python.html">Section_python</A>
for details. Again, note that inclusion or exclusion of any desired for details. This will use the SHFLAGS and SHLIBFLAGS settings in
optional packages should be done before typing "make makelib". The src/MAKE/Makefile.foo and perform the build in the directory
first "make" command will create a current Makefile.shlib with all the Obj_shared_foo. This is so that each file can be compiled with the
file names in your src dir. The second "make" command will use it to -fPIC flag which is required for inclusion in a shared library. The
build LAMMPS as a shared library, using the SHFLAGS and SHLIBFLAGS build will create the file liblammps_foo.so which another application
settings in src/MAKE/Makefile.foo. The build will create the file can link to dyamically. It will also create a soft link liblammps.so,
liblammps_foo.so which another application can link to dyamically. It which will point to the most recently built shared library. This is
will also create a soft link liblammps.so, which the Python wrapper uses the file the Python wrapper loads by default.
by default.
</P> </P>
<P>Note that for a shared library to be usable by a calling program, all <P>Note that for a shared library to be usable by a calling program, all
the auxiliary libraries it depends on must also exist as shared the auxiliary libraries it depends on must also exist as shared
libraries. This will be the case for libraries included with LAMMPS, libraries. This will be the case for libraries included with LAMMPS,
such as the dummy MPI library in src/STUBS or any package libraries in such as the dummy MPI library in src/STUBS or any package libraries in
lib/packges, since they are always built as shared libraries with the lib/packages, since they are always built as shared libraries using
-fPIC switch. However, if a library like MPI or FFTW does not exist the -fPIC switch. However, if a library like MPI or FFTW does not
as a shared library, the second make command will generate an error. exist as a shared library, the shared library build will generate an
This means you will need to install a shared library version of the error. This means you will need to install a shared library version
package. The build instructions for the library should tell you how of the auxiliary library. The build instructions for the library
to do this. should tell you how to do this.
</P> </P>
<P>As an example, here is how to build and install the <A HREF = "http://www-unix.mcs.anl.gov/mpi">MPICH <P>As an example, here is how to build and install the <A HREF = "http://www-unix.mcs.anl.gov/mpi">MPICH
library</A>, a popular open-source version of MPI, distributed by library</A>, a popular open-source version of MPI, distributed by

48
doc/Section_start.txt
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@ -1040,50 +1040,44 @@ more info on wrapping and running LAMMPS from Python.
To build LAMMPS as a static library (*.a file on Linux), type To build LAMMPS as a static library (*.a file on Linux), type
make makelib make foo mode=lib :pre
make -f Makefile.lib foo :pre
where foo is the machine name. This kind of library is typically used where foo is the machine name. This kind of library is typically used
to statically link a driver application to LAMMPS, so that you can to statically link a driver application to LAMMPS, so that you can
insure all dependencies are satisfied at compile time. Note that insure all dependencies are satisfied at compile time. This will use
inclusion or exclusion of any desired optional packages should be done the ARCHIVE and ARFLAGS settings in src/MAKE/Makefile.foo. The build
before typing "make makelib". The first "make" command will create a will create the file liblammps_foo.a which another application can
current Makefile.lib with all the file names in your src dir. The link to. It will also create a soft link liblammps.a, which will
second "make" command will use it to build LAMMPS as a static library, point to the most recently built static library.
using the ARCHIVE and ARFLAGS settings in src/MAKE/Makefile.foo. The
build will create the file liblammps_foo.a which another application can
link to.
[Shared library:] :h5 [Shared library:] :h5
To build LAMMPS as a shared library (*.so file on Linux), which can be To build LAMMPS as a shared library (*.so file on Linux), which can be
dynamically loaded, e.g. from Python, type dynamically loaded, e.g. from Python, type
make makeshlib make foo mode=shlib :pre
make -f Makefile.shlib foo :pre
where foo is the machine name. This kind of library is required when where foo is the machine name. This kind of library is required when
wrapping LAMMPS with Python; see "Section_python"_Section_python.html wrapping LAMMPS with Python; see "Section_python"_Section_python.html
for details. Again, note that inclusion or exclusion of any desired for details. This will use the SHFLAGS and SHLIBFLAGS settings in
optional packages should be done before typing "make makelib". The src/MAKE/Makefile.foo and perform the build in the directory
first "make" command will create a current Makefile.shlib with all the Obj_shared_foo. This is so that each file can be compiled with the
file names in your src dir. The second "make" command will use it to -fPIC flag which is required for inclusion in a shared library. The
build LAMMPS as a shared library, using the SHFLAGS and SHLIBFLAGS build will create the file liblammps_foo.so which another application
settings in src/MAKE/Makefile.foo. The build will create the file can link to dyamically. It will also create a soft link liblammps.so,
liblammps_foo.so which another application can link to dyamically. It which will point to the most recently built shared library. This is
will also create a soft link liblammps.so, which the Python wrapper uses the file the Python wrapper loads by default.
by default.
Note that for a shared library to be usable by a calling program, all Note that for a shared library to be usable by a calling program, all
the auxiliary libraries it depends on must also exist as shared the auxiliary libraries it depends on must also exist as shared
libraries. This will be the case for libraries included with LAMMPS, libraries. This will be the case for libraries included with LAMMPS,
such as the dummy MPI library in src/STUBS or any package libraries in such as the dummy MPI library in src/STUBS or any package libraries in
lib/packges, since they are always built as shared libraries with the lib/packages, since they are always built as shared libraries using
-fPIC switch. However, if a library like MPI or FFTW does not exist the -fPIC switch. However, if a library like MPI or FFTW does not
as a shared library, the second make command will generate an error. exist as a shared library, the shared library build will generate an
This means you will need to install a shared library version of the error. This means you will need to install a shared library version
package. The build instructions for the library should tell you how of the auxiliary library. The build instructions for the library
to do this. should tell you how to do this.
As an example, here is how to build and install the "MPICH As an example, here is how to build and install the "MPICH
library"_mpich, a popular open-source version of MPI, distributed by library"_mpich, a popular open-source version of MPI, distributed by

2
doc/variable.html
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@ -147,7 +147,7 @@ since it evaluates another variable when it is invoked.
<P>IMPORTANT NOTE: When a variable command is encountered in the input <P>IMPORTANT NOTE: When a variable command is encountered in the input
script and the variable name has already been specified, the command script and the variable name has already been specified, the command
is ignored. This means variables can NOT be re-defined in an input is ignored. This means variables can NOT be re-defined in an input
script (with 2 exceptions, read further). This is to allow an input script (with two exceptions, read further). This is to allow an input
script to be processed multiple times without resetting the variables; script to be processed multiple times without resetting the variables;
see the <A HREF = "jump.html">jump</A> or <A HREF = "include.html">include</A> commands. It also see the <A HREF = "jump.html">jump</A> or <A HREF = "include.html">include</A> commands. It also
means that using the <A HREF = "Section_start.html#start_7">command-line switch</A> means that using the <A HREF = "Section_start.html#start_7">command-line switch</A>

2
doc/variable.txt
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@ -141,7 +141,7 @@ since it evaluates another variable when it is invoked.
IMPORTANT NOTE: When a variable command is encountered in the input IMPORTANT NOTE: When a variable command is encountered in the input
script and the variable name has already been specified, the command script and the variable name has already been specified, the command
is ignored. This means variables can NOT be re-defined in an input is ignored. This means variables can NOT be re-defined in an input
script (with 2 exceptions, read further). This is to allow an input script (with two exceptions, read further). This is to allow an input
script to be processed multiple times without resetting the variables; script to be processed multiple times without resetting the variables;
see the "jump"_jump.html or "include"_include.html commands. It also see the "jump"_jump.html or "include"_include.html commands. It also
means that using the "command-line switch"_Section_start.html#start_7 means that using the "command-line switch"_Section_start.html#start_7