git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10165 f3b2605a-c512-4ea7-a41b-209d697bcdaa

lib/awpmd/Makefile.lammps.linalg

@@ -2,4 +2,4 @@
 
 user-awpmd_SYSINC =
 user-awpmd_SYSLIB = -llinalg -lgfortran
-user-awpmd_SYSPATH = -L../../lib/linalg
+user-awpmd_SYSPATH = -L../../lib/linalg$(LIBOBJDIR)

lib/awpmd/Makefile.mingw32-cross

@@ -0,0 +1,80 @@
+# library build -*- makefile -*-
+SHELL = /bin/sh
+
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.linalg
+
+# ------ FILES ------
+
+SRC = logexc.cpp wpmd.cpp wpmd_split.cpp
+vpath %.cpp ivutils/src
+vpath %.cpp systems/interact/TCP
+
+INC = \
+    cerf.h \
+    cerf2.h \
+    cerf_octave.h \
+    cvector_3.h \
+    lapack_inter.h \
+    logexc.h \
+    pairhash.h \
+    refobj.h \
+    tcpdefs.h \
+    vector_3.h \
+    wavepacket.h \
+    wpmd.h \
+    wpmd_split.h
+
+# ------ DEFINITIONS ------
+DIR = Obj_mingw32/
+LIB = $(DIR)libawpmd.a
+OBJ =  $(SRC:%.cpp=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+# include any MPI settings needed for the ATC library to build with
+# the same MPI library that LAMMPS is built with
+
+CC =	  i686-w64-mingw32-g++
+CCFLAGS = 	-O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64	\
+		-finline-functions		\
+                -ffast-math -funroll-loops -fstrict-aliasing		\
+                -Wall -W -Wno-uninitialized -Isystems/interact/TCP/ -Isystems/interact -Iivutils/include
+ARCHIVE =	i686-w64-mingw32-ar
+ARCHFLAG =	-rscv
+DEPFLAGS =  -M
+#LINK =         
+#LINKFLAGS =	
+USRLIB =
+SYSLIB =
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB) Makefile.lammps
+
+$(DIR):
+	mkdir $(DIR)
+
+Makefile.lammps:
+	@cp $(EXTRAMAKE) Makefile.lammps
+
+$(LIB): 	$(OBJ)
+	$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
+	@cp $(EXTRAMAKE) Makefile.lammps
+
+# ------ COMPILE RULES ------
+
+$(DIR)%.o:%.cpp
+	$(CC) $(CCFLAGS) -c $< -o $@
+$(DIR)%.d:%.cpp
+	$(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@		
+
+# ------ DEPENDENCIES ------
+
+DEPENDS = $(OBJ:.o=.d)
+
+# ------ CLEAN ------
+
+clean:
+	rm *.d *~ $(OBJ) $(LIB)

lib/awpmd/Makefile.mingw32-cross-mpi

@@ -0,0 +1,13 @@
+# -*- makefile -*- wrapper for non-MPI libraries
+
+SHELL=/bin/sh
+
+all:
+	$(MAKE) $(MFLAGS) mingw32-cross
+	rm -f Obj_mingw32-mpi
+	ln -s Obj_mingw32 Obj_mingw32-mpi
+
+clean:
+	$(MAKE) $(MFLAGS) clean-mingw32-cross
+	rm -f Obj_mingw32-mpi
+

lib/awpmd/Makefile.mingw64-cross

@@ -0,0 +1,79 @@
+# library build -*- makefile -*-
+SHELL = /bin/sh
+
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.linalg
+
+# ------ FILES ------
+
+SRC = logexc.cpp wpmd.cpp wpmd_split.cpp
+vpath %.cpp ivutils/src
+vpath %.cpp systems/interact/TCP
+
+INC = \
+    cerf.h \
+    cerf2.h \
+    cerf_octave.h \
+    cvector_3.h \
+    lapack_inter.h \
+    logexc.h \
+    pairhash.h \
+    refobj.h \
+    tcpdefs.h \
+    vector_3.h \
+    wavepacket.h \
+    wpmd.h \
+    wpmd_split.h
+
+# ------ DEFINITIONS ------
+DIR = Obj_mingw64/
+LIB = $(DIR)libawpmd.a
+OBJ =  $(SRC:%.cpp=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+# include any MPI settings needed for the ATC library to build with
+# the same MPI library that LAMMPS is built with
+
+CC =	  x86_64-w64-mingw32-g++
+CCFLAGS =  -O3 -march=core2 -mtune=core2 -mpc64 -msse2    \
+                -ffast-math -funroll-loops -fstrict-aliasing		\
+                -Wall -W -Wno-uninitialized -Isystems/interact/TCP/ -Isystems/interact -Iivutils/include
+ARCHIVE =	x86_64-w64-mingw32-ar
+ARCHFLAG =	-rscv
+DEPFLAGS =  -M
+#LINK =         
+#LINKFLAGS =	
+USRLIB =
+SYSLIB =
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB) Makefile.lammps
+
+$(DIR):
+	mkdir $(DIR)
+
+Makefile.lammps:
+	@cp $(EXTRAMAKE) Makefile.lammps
+
+$(LIB): 	$(OBJ)
+	$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
+	@cp $(EXTRAMAKE) Makefile.lammps
+
+# ------ COMPILE RULES ------
+
+$(DIR)%.o:%.cpp
+	$(CC) $(CCFLAGS) -c $< -o $@
+$(DIR)%.d:%.cpp
+	$(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@		
+
+# ------ DEPENDENCIES ------
+
+DEPENDS = $(OBJ:.o=.d)
+
+# ------ CLEAN ------
+
+clean:
+	rm *.d *~ $(OBJ) $(LIB)

lib/awpmd/Makefile.mingw64-cross-mpi

@@ -0,0 +1,13 @@
+# -*- makefile -*- wrapper for non-MPI libraries
+
+SHELL=/bin/sh
+
+all:
+	$(MAKE) $(MFLAGS) mingw64-cross
+	rm -f Obj_mingw64-mpi
+	ln -s Obj_mingw64 Obj_mingw64-mpi
+
+clean:
+	$(MAKE) $(MFLAGS) clean-mingw64-cross
+	rm -f Obj_mingw64-mpi
+

lib/awpmd/ivutils/include/lapack_inter.h

@@ -8,7 +8,7 @@ typedef int lapack_int;
 typedef complex<float> lapack_complex_float;
 typedef complex<double> lapack_complex_double;
 
-#ifdef _WIN32
+#if defined(_WIN32) && !defined(__MINGW32__)
 
   //#define MKL_Complex8 lapack_complex_float
   //#define MKL_Complex16 lapack_complex_double

lib/awpmd/ivutils/include/logexc.h

@@ -7,9 +7,9 @@
 #include <stdexcept>
 #include <string>
 
-# ifndef _WIN32
+#if !defined(_WIN32) || defined(__MINGW32__)
 # include <typeinfo>
-# endif
+#endif
 
 
 /// this specifies whether to put file/line info in error messages

lib/awpmd/ivutils/include/wavepacket.h

@@ -220,7 +220,8 @@ public:
 
 };
 
-    /*double w=wk.get_width();
+#if 0
+    double w=wk.get_width();
           Vector_3 r=wk.get_r();
           double t=3/(2*w*w*w);
           fe_w[ic1+k1]+= t*E_der[s1][indw1+8*k1]+imag(wk.a)*E_der[s1][indw1+8*k1+1]/w;
@@ -230,7 +231,8 @@ public:
             fe_p[ic1+k1][i]+= (-E_der[s1][indw1+8*k1+2+2*i+1])*(m_electron/h_plank); //*(h_plank/m_electron);
             fe_pw[ic1+k1]+=(r[i]*E_der[s1][indw1+8*k1+2+2*i+1]/w)/h_plank;  
             fe_w[ic1+k1]+=2*r[i]*(t*E_der[s1][indw1+8*k1+2+2*i]+imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1]/w);
-          }*/
+          }
+#endif
 
 
 /// constructs a conjugate packet
@@ -239,4 +241,4 @@ inline WavePacket conj(const WavePacket &wp){
 }
 
 
-# endif  // WAVEPACKET_H
+# endif  // WAVEPACKET_H