git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8656 f3b2605a-c512-4ea7-a41b-209d697bcdaa

python/install.py

@@ -1,25 +1,35 @@
 #!/usr/local/bin/python
 
-# copy lammps.py and LAMMPS shared library src/liblmp.so to
-# Python site-packages dir
+# copy LAMMPS shared library src/liblmp.so and lammps.py to system dirs
+# Syntax: python install.py [libdir] [pydir]
+#         libdir = target dir for src/liblammps.so, default = /usr/local/lib
+#         pydir = target dir for lammps.py, default = Python site-packages dir
 
 import sys,commands
 
-# find this Python's site-packages dir in sys.path list
+if len(sys.argv) > 3:
+  print "Syntax: python install.py [libdir] [pydir]"
+  sys.exit()
 
-paths = sys.path
-for i,path in enumerate(paths):
+if len(sys.argv) >= 2: libdir = sys.argv[1]
+else: libdir = "/usr/local/lib"
+
+if len(sys.argv) == 3: pydir = sys.argv[2]
+else:
+  paths = sys.path
+  for i,path in enumerate(paths):
     index = path.rfind("site-packages")
     if index < 0: continue
     if index == len(path) - len("site-packages"): break
-sitedir = paths[i]
+  pydir = paths[i]
 
-str = "cp ../python/lammps.py %s" % sitedir
+str = "cp ../src/liblammps.so %s" % libdir
 print str
 outstr = commands.getoutput(str)
 if len(outstr.strip()): print outstr
 
-str = "cp ../src/liblmp.so %s" % sitedir
+str = "cp ../python/lammps.py %s" % pydir
 print str
 outstr = commands.getoutput(str)
 if len(outstr.strip()): print outstr
+

python/lammps.py

@@ -19,12 +19,12 @@ from ctypes import *
 class lammps:
   def __init__(self,name="",cmdargs=None):
 
-    # load liblmp.so by default
-    # if name = "g++", load liblmp_g++.so
+    # load liblammps.so by default
+    # if name = "g++", load liblammps_g++.so
     
     try:
-      if not name: self.lib = CDLL("liblmp.so")
-      else: self.lib = CDLL("liblmp_%s.so" % name)
+      if not name: self.lib = CDLL("liblammps.so")
+      else: self.lib = CDLL("liblammps_%s.so" % name)
     except:
       raise OSError,"Could not load LAMMPS dynamic library"
 

src/MAKE/Makefile.g++

@@ -85,6 +85,9 @@ $(EXE):	$(OBJ)
 lib:	$(OBJ)
 	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
 
+#shlib:	$(OBJ)
+#	$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
+
 shlib:	$(OBJ)
 	$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
         $(OBJ) $(EXTRA_LIB) $(LIB)

src/library.cpp

@@ -389,15 +389,15 @@ void lammps_gather_atoms(void *ptr, char *name,
   int natoms = static_cast<int> (lmp->atom->natoms);
 
   int i,j,offset;
+  void *vptr = lmp->atom->extract(name);
 
   // copy = Natom length vector of per-atom values
   // use atom ID to insert each atom's values into copy
   // MPI_Allreduce with MPI_SUM to merge into data, ordered by atom ID
 
   if (type == 0) {
-    void *vptr = lmp->atom->extract(name);
-    int *vector;
-    int **array;
+    int *vector = NULL;
+    int **array = NULL;
     if (count == 1) vector = (int *) vptr;
     else array = (int **) vptr;
 
@@ -422,9 +422,8 @@ void lammps_gather_atoms(void *ptr, char *name,
     lmp->memory->destroy(copy);
 
   } else {
-    void *vptr = lmp->atom->extract(name);
-    double *vector;
-    double **array;
+    double *vector = NULL;
+    double **array = NULL;
     if (count == 1) vector = (double *) vptr;
     else array = (double **) vptr;
 
@@ -473,15 +472,15 @@ void lammps_scatter_atoms(void *ptr, char *name,
   int natoms = static_cast<int> (lmp->atom->natoms);
 
   int i,j,m,offset;
+  void *vptr = lmp->atom->extract(name);
 
   // copy = Natom length vector of per-atom values
   // use atom ID to insert each atom's values into copy
   // MPI_Allreduce with MPI_SUM to merge into data, ordered by atom ID
 
   if (type == 0) {
-    void *vptr = lmp->atom->extract(name);
-    int *vector;
-    int **array;
+    int *vector = NULL;
+    int **array = NULL;
     if (count == 1) vector = (int *) vptr;
     else array = (int **) vptr;
     int *dptr = (int *) data;
@@ -499,16 +498,12 @@ void lammps_scatter_atoms(void *ptr, char *name,
         }
 
   } else {
-    void *vptr = lmp->atom->extract(name);
-    double *vector;
-    double **array;
+    double *vector = NULL;
+    double **array = NULL;
     if (count == 1) vector = (double *) vptr;
     else array = (double **) vptr;
     double *dptr = (double *) data;
 
-    int *tag = lmp->atom->tag;
-    int nlocal = lmp->atom->nlocal;
-
     if (count == 1) {
       for (i = 0; i < natoms; i++)
         if ((m = lmp->atom->map(i+1)) >= 0)