git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5201 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2010-11-02 15:07:40 +00:00
parent b63b44e274
commit 453aba29e5
23 changed files with 5263 additions and 0 deletions
--- a/python/setup.py
+++ b/python/setup.py
@ -0,0 +1,39 @@
+#!/usr/local/bin/python
+
+"""
+setup.py file for LAMMPS with system MPI library
+"""
+
+from distutils.core import setup, Extension
+
+import os, glob
+path = os.path.dirname(os.getcwd())
+
+# list of src files for LAMMPS
+
+libfiles = glob.glob("%s/src/*.cpp" % path)
+
+lammps_library = Extension("_lammps",
+                           sources = libfiles,
+                           define_macros = [("MPICH_IGNORE_CXX_SEEK",1),
+                                            ("LAMMPS_GZIP",1),
+                                            ("FFT_NONE",1),],
+                           # src files for LAMMPS
+                           include_dirs = ["../src"],
+                           # additional libs for MPICH on Linux
+                           libraries = ["mpich","rt"],
+                           # where to find the MPICH lib on Linux
+                           library_dirs = ["/usr/local/lib"],
+                           # additional libs for MPI on Mac
+                           # libraries = ["mpi"],
+                           )
+
+setup(name = "lammps",
+      version = "26Oct10",
+      author = "Steve Plimpton",
+      author_email = "sjplimp@sandia.gov",
+      url = "http://lammps.sandia.gov",
+      description = """LAMMPS molecular dynamics library - parallel""",
+      py_modules = ["lammps"],
+      ext_modules = [lammps_library]
+      )