new Section package and start doc pages and build scripts

This commit is contained in:
Steve Plimpton
2017-05-04 11:22:20 -06:00
parent f5cf1f1314
commit addd87c0f7
115 changed files with 4564 additions and 2516 deletions

52
lib/linalg/Install.py Normal file
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@ -0,0 +1,52 @@
#!/usr/bin/env python
# install.py tool to do build of the linear algebra library
# used to automate the steps described in the README file in this dir
import sys,commands,os
# help message
help = """
Syntax: python Install.py -m machine
-m = peform a clean followed by "make -f Makefile.machine"
machine = suffix of a lib/Makefile.* file
"""
# print error message or help
def error(str=None):
if not str: print help
else: print "ERROR",str
sys.exit()
# parse args
args = sys.argv[1:]
nargs = len(args)
if nargs == 0: error()
machine = None
iarg = 0
while iarg < nargs:
if args[iarg] == "-m":
if iarg+2 > nargs: error()
machine = args[iarg+1]
iarg += 2
else: error()
# set lib from working dir
cwd = os.getcwd()
lib = os.path.basename(cwd)
# make the library
print "Building lib%s.a ..." % lib
cmd = "make -f Makefile.%s clean; make -f Makefile.%s" % (machine,machine)
txt = commands.getoutput(cmd)
print txt
if os.path.exists("lib%s.a" % lib): print "Build was successful"
else: error("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))

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@ -3,11 +3,16 @@ USER-AWPMD packages, and possibly by other packages in the future.
Note that this is an *incomplete* subset of full BLAS/LAPACK.
You should only need to build and use the resulting library in this
directory if you want to build LAMMPS with the USER-ATC and/or
USER-AWPMD packages AND you do not have any other suitable BLAS and
LAPACK libraries installed on your system. E.g. ATLAS, GOTO-BLAS,
OpenBLAS, ACML, or MKL.
You should only need to build and use the library in this directory if
you want to build LAMMPS with the USER-ATC and/or USER-AWPMD packages
AND you do not have any other suitable BLAS and LAPACK libraries
installed on your system. E.g. ATLAS, GOTO-BLAS, OpenBLAS, ACML, or
MKL.
You can type "make lib-linalg" from the src directory to see help on
how to build this library via make commands, or you can do the same
thing by typing "python Install.py" from within this directory, or you
can do it manually by following the instructions below.
Build the library using one of the provided Makefile.* files or create
your own, specific to your compiler and system. For example:
@ -20,4 +25,5 @@ directory:
liblinalg.a the library LAMMPS will link against
You can then include this library and its path in the Makefile.lammps
file of any packages that need it, e.g. in lib/atc/Makefile.lammps.
file of any packages that need it. As an example, see the
lib/atc/Makefile.lammps.linalg file.