diff --git a/lib/atc/LammpsInterface.cpp b/lib/atc/LammpsInterface.cpp
index 4959ce0855c7d2e48d678bba17d277c0b02cc9d7..a6a054b060d976d5593a8b7fa95c395bade3e838 100644
--- a/lib/atc/LammpsInterface.cpp
+++ b/lib/atc/LammpsInterface.cpp
@@ -3,6 +3,7 @@
// LAMMPS includes
#include "lammps.h"
+#include "lmptype.h"
#include "atom.h" // x, v, f
#include "domain.h" // for basing locations on regions
#include "region.h" // region bounding box and style
@@ -609,7 +610,7 @@ void LammpsInterface::atomPE_init(void)
}
}
-void LammpsInterface::atomPE_addstep(int step)
+void LammpsInterface::atomPE_addstep(LAMMPS_NS::bigint step)
{
atomPE_->addstep(step);
}
diff --git a/lib/atc/Makefile.g++ b/lib/atc/Makefile.g++
index 66361ebc5d07f15112bcc6585425e00cad9e9735..5b12e403ab47c17571c366c7cd7a2329f3fe36b6 100644
--- a/lib/atc/Makefile.g++
+++ b/lib/atc/Makefile.g++
@@ -131,4 +131,4 @@ DEPENDS = $(OBJ:.o=.d)
# ------ CLEAN ------
clean:
- rm *.o *.d *~ $(LIB)
+ -rm *.o *.d *~ $(LIB)
diff --git a/lib/atc/Makefile.lammps b/lib/atc/Makefile.lammps
new file mode 100644
index 0000000000000000000000000000000000000000..c8cd66af26957af7143783f533aa30683df0c3d9
--- /dev/null
+++ b/lib/atc/Makefile.lammps
@@ -0,0 +1,5 @@
+# Settings that the LAMMPS build will import when this package library is used
+
+user-atc_SYSINC =
+user-atc_SYSLIB = -lblas -llapack
+user-atc_SYSPATH =
diff --git a/lib/atc/Makefile.lammps.linalg b/lib/atc/Makefile.lammps.linalg
index 742b09f781f3d32e316089411d526bd76eb87531..5d92fd8cfb2a798fee127638f2b1319e5611da25 100644
--- a/lib/atc/Makefile.lammps.linalg
+++ b/lib/atc/Makefile.lammps.linalg
@@ -2,4 +2,5 @@
user-atc_SYSINC =
user-atc_SYSLIB = -llinalg -lgfortran
-user-atc_SYSPATH = -L../../lib/linalg
+user-atc_SYSPATH = -L../../lib/linalg$(LIBOBJDIR)
+
diff --git a/lib/atc/Makefile.mingw32-cross b/lib/atc/Makefile.mingw32-cross
new file mode 100644
index 0000000000000000000000000000000000000000..6834410408d429d9eef2bac47815f573551b1eb3
--- /dev/null
+++ b/lib/atc/Makefile.mingw32-cross
@@ -0,0 +1,149 @@
+# library build -*- makefile -*-
+SHELL = /bin/sh
+
+# ------ FILES ------
+
+SRC = ATC_HardyKernel.cpp \
+ATC_Transfer.cpp \
+ATC_TransferHardy.cpp \
+ATC_TransferThermal.cpp \
+ATC_TransferUtility.cpp \
+AtomicRegulator.cpp \
+ElasticTimeIntegrator.cpp \
+ElectronFlux.cpp \
+ElectronHeatCapacity.cpp \
+ElectronHeatFlux.cpp \
+ElectronPhononExchange.cpp \
+ExtrinsicModel.cpp \
+ExtrinsicModelTwoTemperature.cpp \
+FE_Element.cpp \
+FE_Engine.cpp \
+FE_Mesh.cpp \
+FieldEulerIntegrator.cpp \
+ImplicitSolveOperator.cpp \
+Kinetostat.cpp \
+LammpsInterface.cpp \
+Material.cpp \
+Matrix.cpp \
+OutputManager.cpp \
+PhysicsModelThermal.cpp \
+PhysicsModelTwoTemperature.cpp \
+PrescribedDataManager.cpp \
+Solver.cpp \
+Thermostat.cpp \
+TimeFilter.cpp \
+TimeIntegrator.cpp \
+Vector.cpp \
+XT_Function.cpp
+
+INC = Array2D.h \
+Array.h \
+ATC_Error.h \
+ATC_HardyKernel.h \
+ATC_Transfer.h \
+ATC_TransferHardy.h \
+ATC_TransferThermal.h \
+ATC_TypeDefs.h \ \
+AtomicRegulator.h \
+CG.h \
+CloneVector.h \
+DenseMatrix.h \
+DenseVector.h \
+DiagonalMatrix.h \
+ElasticTimeIntegrator.h \
+ElectronFlux.h \
+ElectronHeatCapacity.h \
+ElectronHeatFlux.h \
+ElectronPhononExchange.h \
+ExtrinsicModel.h \
+ExtrinsicModelTwoTemperature.h \
+FE_Element.h \
+FE_Engine.h \
+FE_Mesh.h \
+FieldEulerIntegrator.h \
+GMRES.h \
+ImplicitSolveOperator.h \
+Kinetostat.h \
+LammpsInterface.h \
+Material.h \
+MatrixDef.h \
+Matrix.h \
+MatrixLibrary.h \
+OutputManager.h \
+PhysicsModel.h \
+PhysicsModelThermal.h \
+PhysicsModelTwoTemperature.h \
+PrescribedDataManager.h \
+Quadrature.h \
+Solver.h \
+SparseMatrix.h \
+SparseMatrix-inl.h \
+SparseVector.h \
+SparseVector-inl.h \
+StringManip.h \
+Thermostat.h \
+TimeFilter.h \
+TimeIntegrator.h \
+Utility.h \
+Vector.h \
+XT_Function.h
+
+# ------ DEFINITIONS ------
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.linalg
+
+DIR = Obj_mingw32/
+LIB = $(DIR)libatc.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 = -I../../src -I../../src/STUBS -DMPICH_IGNORE_CXX_SEEK \
+ -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \
+ -ffast-math -funroll-loops -fstrict-aliasing \
+ -DLAMMPS_SMALLSMALL -Wno-uninitialized
+ARCHIVE = i686-w64-mingw32-ar
+ARCHFLAG = -rcs
+DEPFLAGS = -M
+LINK = i686-w64-mingw32-g++
+LINKFLAGS = -O
+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 $(DIR)*.o $(DIR)*.d *~ $(LIB)
+
+$(DEPENDS) : $(DIR)
+sinclude $(DEPENDS)
diff --git a/lib/atc/Makefile.mingw32-cross-mpi b/lib/atc/Makefile.mingw32-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..4c372edf380fe994cdf2cdfde3052098b1057168
--- /dev/null
+++ b/lib/atc/Makefile.mingw32-cross-mpi
@@ -0,0 +1,150 @@
+# library build -*- makefile -*-
+SHELL = /bin/sh
+
+# ------ FILES ------
+
+SRC = ATC_HardyKernel.cpp \
+ATC_Transfer.cpp \
+ATC_TransferHardy.cpp \
+ATC_TransferThermal.cpp \
+ATC_TransferUtility.cpp \
+AtomicRegulator.cpp \
+ElasticTimeIntegrator.cpp \
+ElectronFlux.cpp \
+ElectronHeatCapacity.cpp \
+ElectronHeatFlux.cpp \
+ElectronPhononExchange.cpp \
+ExtrinsicModel.cpp \
+ExtrinsicModelTwoTemperature.cpp \
+FE_Element.cpp \
+FE_Engine.cpp \
+FE_Mesh.cpp \
+FieldEulerIntegrator.cpp \
+ImplicitSolveOperator.cpp \
+Kinetostat.cpp \
+LammpsInterface.cpp \
+Material.cpp \
+Matrix.cpp \
+OutputManager.cpp \
+PhysicsModelThermal.cpp \
+PhysicsModelTwoTemperature.cpp \
+PrescribedDataManager.cpp \
+Solver.cpp \
+Thermostat.cpp \
+TimeFilter.cpp \
+TimeIntegrator.cpp \
+Vector.cpp \
+XT_Function.cpp
+
+INC = Array2D.h \
+Array.h \
+ATC_Error.h \
+ATC_HardyKernel.h \
+ATC_Transfer.h \
+ATC_TransferHardy.h \
+ATC_TransferThermal.h \
+ATC_TypeDefs.h \ \
+AtomicRegulator.h \
+CG.h \
+CloneVector.h \
+DenseMatrix.h \
+DenseVector.h \
+DiagonalMatrix.h \
+ElasticTimeIntegrator.h \
+ElectronFlux.h \
+ElectronHeatCapacity.h \
+ElectronHeatFlux.h \
+ElectronPhononExchange.h \
+ExtrinsicModel.h \
+ExtrinsicModelTwoTemperature.h \
+FE_Element.h \
+FE_Engine.h \
+FE_Mesh.h \
+FieldEulerIntegrator.h \
+GMRES.h \
+ImplicitSolveOperator.h \
+Kinetostat.h \
+LammpsInterface.h \
+Material.h \
+MatrixDef.h \
+Matrix.h \
+MatrixLibrary.h \
+OutputManager.h \
+PhysicsModel.h \
+PhysicsModelThermal.h \
+PhysicsModelTwoTemperature.h \
+PrescribedDataManager.h \
+Quadrature.h \
+Solver.h \
+SparseMatrix.h \
+SparseMatrix-inl.h \
+SparseVector.h \
+SparseVector-inl.h \
+StringManip.h \
+Thermostat.h \
+TimeFilter.h \
+TimeIntegrator.h \
+Utility.h \
+Vector.h \
+XT_Function.h
+
+# ------ DEFINITIONS ------
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.linalg
+
+DIR = Obj_mingw32-mpi/
+LIB = $(DIR)libatc.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 = -I../../tools/mingw-cross/mpich2-win32/include/ \
+ -I../../src -I../../src/STUBS -DMPICH_IGNORE_CXX_SEEK \
+ -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \
+ -ffast-math -funroll-loops -fstrict-aliasing \
+ -DLAMMPS_SMALLSMALL -Wno-uninitialized
+ARCHIVE = i686-w64-mingw32-ar
+ARCHFLAG = -rcs
+DEPFLAGS = -M
+LINK = i686-w64-mingw32-g++
+LINKFLAGS = -O
+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 $(DIR)*.o $(DIR)*.d *~ $(LIB)
+
+$(DEPENDS) : $(DIR)
+sinclude $(DEPENDS)
diff --git a/lib/atc/Makefile.mingw64-cross b/lib/atc/Makefile.mingw64-cross
new file mode 100644
index 0000000000000000000000000000000000000000..997cbcd35cb0481152f6dca4fd55369c5b237ec0
--- /dev/null
+++ b/lib/atc/Makefile.mingw64-cross
@@ -0,0 +1,149 @@
+# library build -*- makefile -*-
+SHELL = /bin/sh
+
+# ------ FILES ------
+
+SRC = ATC_HardyKernel.cpp \
+ATC_Transfer.cpp \
+ATC_TransferHardy.cpp \
+ATC_TransferThermal.cpp \
+ATC_TransferUtility.cpp \
+AtomicRegulator.cpp \
+ElasticTimeIntegrator.cpp \
+ElectronFlux.cpp \
+ElectronHeatCapacity.cpp \
+ElectronHeatFlux.cpp \
+ElectronPhononExchange.cpp \
+ExtrinsicModel.cpp \
+ExtrinsicModelTwoTemperature.cpp \
+FE_Element.cpp \
+FE_Engine.cpp \
+FE_Mesh.cpp \
+FieldEulerIntegrator.cpp \
+ImplicitSolveOperator.cpp \
+Kinetostat.cpp \
+LammpsInterface.cpp \
+Material.cpp \
+Matrix.cpp \
+OutputManager.cpp \
+PhysicsModelThermal.cpp \
+PhysicsModelTwoTemperature.cpp \
+PrescribedDataManager.cpp \
+Solver.cpp \
+Thermostat.cpp \
+TimeFilter.cpp \
+TimeIntegrator.cpp \
+Vector.cpp \
+XT_Function.cpp
+
+INC = Array2D.h \
+Array.h \
+ATC_Error.h \
+ATC_HardyKernel.h \
+ATC_Transfer.h \
+ATC_TransferHardy.h \
+ATC_TransferThermal.h \
+ATC_TypeDefs.h \ \
+AtomicRegulator.h \
+CG.h \
+CloneVector.h \
+DenseMatrix.h \
+DenseVector.h \
+DiagonalMatrix.h \
+ElasticTimeIntegrator.h \
+ElectronFlux.h \
+ElectronHeatCapacity.h \
+ElectronHeatFlux.h \
+ElectronPhononExchange.h \
+ExtrinsicModel.h \
+ExtrinsicModelTwoTemperature.h \
+FE_Element.h \
+FE_Engine.h \
+FE_Mesh.h \
+FieldEulerIntegrator.h \
+GMRES.h \
+ImplicitSolveOperator.h \
+Kinetostat.h \
+LammpsInterface.h \
+Material.h \
+MatrixDef.h \
+Matrix.h \
+MatrixLibrary.h \
+OutputManager.h \
+PhysicsModel.h \
+PhysicsModelThermal.h \
+PhysicsModelTwoTemperature.h \
+PrescribedDataManager.h \
+Quadrature.h \
+Solver.h \
+SparseMatrix.h \
+SparseMatrix-inl.h \
+SparseVector.h \
+SparseVector-inl.h \
+StringManip.h \
+Thermostat.h \
+TimeFilter.h \
+TimeIntegrator.h \
+Utility.h \
+Vector.h \
+XT_Function.h
+
+# ------ DEFINITIONS ------
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.linalg
+
+DIR = Obj_mingw64/
+LIB = $(DIR)libatc.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 = -I../../src -I../../src/STUBS -DMPICH_IGNORE_CXX_SEEK \
+ -O3 -march=core2 -mtune=core2 -mpc64 -msse2 \
+ -ffast-math -funroll-loops -fstrict-aliasing \
+ -DLAMMPS_SMALLBIG -Wno-uninitialized
+ARCHIVE = x86_64-w64-mingw32-ar
+ARCHFLAG = -rcs
+DEPFLAGS = -M
+LINK = x86_64-w64-mingw32-g++
+LINKFLAGS = -O
+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 $(DIR)*.o $(DIR)*.d *~ $(LIB)
+
+$(DEPENDS) : $(DIR)
+sinclude $(DEPENDS)
diff --git a/lib/atc/Makefile.mingw64-cross-mpi b/lib/atc/Makefile.mingw64-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..81b4ee207e1e4299e81d685e48e9d33863fac90e
--- /dev/null
+++ b/lib/atc/Makefile.mingw64-cross-mpi
@@ -0,0 +1,150 @@
+# library build -*- makefile -*-
+SHELL = /bin/sh
+
+# ------ FILES ------
+
+SRC = ATC_HardyKernel.cpp \
+ATC_Transfer.cpp \
+ATC_TransferHardy.cpp \
+ATC_TransferThermal.cpp \
+ATC_TransferUtility.cpp \
+AtomicRegulator.cpp \
+ElasticTimeIntegrator.cpp \
+ElectronFlux.cpp \
+ElectronHeatCapacity.cpp \
+ElectronHeatFlux.cpp \
+ElectronPhononExchange.cpp \
+ExtrinsicModel.cpp \
+ExtrinsicModelTwoTemperature.cpp \
+FE_Element.cpp \
+FE_Engine.cpp \
+FE_Mesh.cpp \
+FieldEulerIntegrator.cpp \
+ImplicitSolveOperator.cpp \
+Kinetostat.cpp \
+LammpsInterface.cpp \
+Material.cpp \
+Matrix.cpp \
+OutputManager.cpp \
+PhysicsModelThermal.cpp \
+PhysicsModelTwoTemperature.cpp \
+PrescribedDataManager.cpp \
+Solver.cpp \
+Thermostat.cpp \
+TimeFilter.cpp \
+TimeIntegrator.cpp \
+Vector.cpp \
+XT_Function.cpp
+
+INC = Array2D.h \
+Array.h \
+ATC_Error.h \
+ATC_HardyKernel.h \
+ATC_Transfer.h \
+ATC_TransferHardy.h \
+ATC_TransferThermal.h \
+ATC_TypeDefs.h \ \
+AtomicRegulator.h \
+CG.h \
+CloneVector.h \
+DenseMatrix.h \
+DenseVector.h \
+DiagonalMatrix.h \
+ElasticTimeIntegrator.h \
+ElectronFlux.h \
+ElectronHeatCapacity.h \
+ElectronHeatFlux.h \
+ElectronPhononExchange.h \
+ExtrinsicModel.h \
+ExtrinsicModelTwoTemperature.h \
+FE_Element.h \
+FE_Engine.h \
+FE_Mesh.h \
+FieldEulerIntegrator.h \
+GMRES.h \
+ImplicitSolveOperator.h \
+Kinetostat.h \
+LammpsInterface.h \
+Material.h \
+MatrixDef.h \
+Matrix.h \
+MatrixLibrary.h \
+OutputManager.h \
+PhysicsModel.h \
+PhysicsModelThermal.h \
+PhysicsModelTwoTemperature.h \
+PrescribedDataManager.h \
+Quadrature.h \
+Solver.h \
+SparseMatrix.h \
+SparseMatrix-inl.h \
+SparseVector.h \
+SparseVector-inl.h \
+StringManip.h \
+Thermostat.h \
+TimeFilter.h \
+TimeIntegrator.h \
+Utility.h \
+Vector.h \
+XT_Function.h
+
+# ------ DEFINITIONS ------
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.linalg
+
+DIR = Obj_mingw64-mpi/
+LIB = $(DIR)libatc.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 = -I../../tools/mingw-cross/mpich2-win64/include/ \
+ -I../../src -I../../src/STUBS -DMPICH_IGNORE_CXX_SEEK \
+ -O3 -march=core2 -mtune=core2 -mpc64 -msse2 \
+ -ffast-math -funroll-loops -fstrict-aliasing \
+ -DLAMMPS_SMALLBIG -Wno-uninitialized
+ARCHIVE = x86_64-w64-mingw32-ar
+ARCHFLAG = -rcs
+DEPFLAGS = -M
+LINK = x86_64-w64-mingw32-g++
+LINKFLAGS = -O
+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 $(DIR)*.o $(DIR)*.d *~ $(LIB)
+
+$(DEPENDS) : $(DIR)
+sinclude $(DEPENDS)
diff --git a/lib/awpmd/Makefile.lammps.linalg b/lib/awpmd/Makefile.lammps.linalg
index a5c4e9b9f0f855ea4afa87961839c085a4ac614c..a30f4a821d21a632a80617adcbcd58cb2bf99968 100644
--- a/lib/awpmd/Makefile.lammps.linalg
+++ b/lib/awpmd/Makefile.lammps.linalg
@@ -2,4 +2,4 @@
user-awpmd_SYSINC =
user-awpmd_SYSLIB = -llinalg -lgfortran
-user-awpmd_SYSPATH = -L../../lib/linalg
+user-awpmd_SYSPATH = -L../../lib/linalg$(LIBOBJDIR)
diff --git a/lib/awpmd/Makefile.mingw32-cross b/lib/awpmd/Makefile.mingw32-cross
new file mode 100644
index 0000000000000000000000000000000000000000..af66187b89762ef3cc8677fbfc4fec25de4fadd5
--- /dev/null
+++ b/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)
diff --git a/lib/awpmd/Makefile.mingw32-cross-mpi b/lib/awpmd/Makefile.mingw32-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..cc2a76111a555bb51d002be8c286b1823f745284
--- /dev/null
+++ b/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
+
diff --git a/lib/awpmd/Makefile.mingw64-cross b/lib/awpmd/Makefile.mingw64-cross
new file mode 100644
index 0000000000000000000000000000000000000000..f1df999bab102a838c6523ca891e2c2ab1cc87b9
--- /dev/null
+++ b/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)
diff --git a/lib/awpmd/Makefile.mingw64-cross-mpi b/lib/awpmd/Makefile.mingw64-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..1ec1a0995b1a8180c0ea3ba35cce6a66252495aa
--- /dev/null
+++ b/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
+
diff --git a/lib/awpmd/ivutils/include/lapack_inter.h b/lib/awpmd/ivutils/include/lapack_inter.h
index 743c5e60594bbb4d74a4505c23c9e4d64d3dace7..e4497fc840a05a97cc028e86c7cffce4df0d8d03 100644
--- a/lib/awpmd/ivutils/include/lapack_inter.h
+++ b/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
diff --git a/lib/awpmd/ivutils/include/logexc.h b/lib/awpmd/ivutils/include/logexc.h
index e8b8ab3c58e50462ba57b7843e742c2233066443..68af8cd256d01c397d187d5e302624581955213f 100644
--- a/lib/awpmd/ivutils/include/logexc.h
+++ b/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
diff --git a/lib/awpmd/ivutils/include/wavepacket.h b/lib/awpmd/ivutils/include/wavepacket.h
index dc203f74bf517ef281fde76b771fdd3196bad4ee..e24ac4e23744b741cc82ae30b9320705c0fe7d0d 100644
--- a/lib/awpmd/ivutils/include/wavepacket.h
+++ b/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
\ No newline at end of file
+# endif // WAVEPACKET_H
diff --git a/lib/gpu/Makefile.lammps b/lib/gpu/Makefile.lammps
new file mode 100644
index 0000000000000000000000000000000000000000..05651c5d76817843b30048d4c2171c45e8d13ad2
--- /dev/null
+++ b/lib/gpu/Makefile.lammps
@@ -0,0 +1,5 @@
+# Settings that the LAMMPS build will import when this package library is used
+
+gpu_SYSINC =
+gpu_SYSLIB = -lcudart -lcuda
+gpu_SYSPATH = -L/usr/local/cuda/lib64
diff --git a/lib/gpu/Makefile.lammps.mingw-cross b/lib/gpu/Makefile.lammps.mingw-cross
new file mode 100644
index 0000000000000000000000000000000000000000..e92c3e9d0da918117bd7b44572cc8b9c7d54d162
--- /dev/null
+++ b/lib/gpu/Makefile.lammps.mingw-cross
@@ -0,0 +1,6 @@
+# Settings that the LAMMPS build will import when this package library is used
+# settings for OpenCL builds
+gpu_SYSINC =
+gpu_SYSLIB = -Wl,--enable-stdcall-fixup -L../../tools/mingw-cross$(LIBOBJDIR) -lOpenCL
+gpu_SYSPATH =
+
diff --git a/lib/gpu/Makefile.mingw32-cross b/lib/gpu/Makefile.mingw32-cross
new file mode 100644
index 0000000000000000000000000000000000000000..3f1240af1ad4f841a1e84feb756546b1eae21d37
--- /dev/null
+++ b/lib/gpu/Makefile.mingw32-cross
@@ -0,0 +1,17 @@
+CUDA_HOME = ../../tools/mingw-cross/OpenCL
+
+OCL_CPP = i686-w64-mingw32-g++ -O2 -march=i686 -mtune=generic -mfpmath=387 \
+ -mpc64 -DMPI_GERYON -DUCL_NO_EXIT -I../../src/STUBS \
+ -I$(CUDA_HOME)/include
+OCL_LINK = -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw32 -lOpenCL -L../../src/STUBS -lmpi_mingw32
+OCL_PREC = -D_SINGLE_DOUBLE
+OCL_TUNE = -DFERMI_OCL
+EXTRAMAKE = Makefile.lammps.mingw-cross
+
+BIN_DIR = Obj_mingw32
+OBJ_DIR = Obj_mingw32
+LIB_DIR = Obj_mingw32
+AR = i686-w64-mingw32-ar
+BSH = /bin/sh
+
+include Opencl.makefile
diff --git a/lib/gpu/Makefile.mingw32-cross-mpi b/lib/gpu/Makefile.mingw32-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..6dae2d06042e81ef478be60bd01f31fba32f4668
--- /dev/null
+++ b/lib/gpu/Makefile.mingw32-cross-mpi
@@ -0,0 +1,19 @@
+CUDA_HOME = ../../tools/mingw-cross/OpenCL
+
+OCL_CPP = i686-w64-mingw32-g++ -O2 -march=i686 -mtune=generic -mfpmath=387 \
+ -mpc64 -DMPI_GERYON -DUCL_NO_EXIT -I$(CUDA_HOME)/include \
+ -I../../tools/mingw-cross/mpich2-win32/include/ \
+ -DMPICH_IGNORE_CXX_SEEK
+OCL_LINK = -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw32 -lOpenCL \
+ -L../../tools/mingw-cross/mpich2-win32/lib -lmpi
+OCL_PREC = -D_SINGLE_DOUBLE
+OCL_TUNE = -DFERMI_OCL
+EXTRAMAKE = Makefile.lammps.mingw-cross
+
+BIN_DIR = Obj_mingw32-mpi
+OBJ_DIR = Obj_mingw32-mpi
+LIB_DIR = Obj_mingw32-mpi
+AR = i686-w64-mingw32-ar
+BSH = /bin/sh
+
+include Opencl.makefile
diff --git a/lib/gpu/Makefile.mingw64-cross b/lib/gpu/Makefile.mingw64-cross
new file mode 100644
index 0000000000000000000000000000000000000000..606b0309cb5483aa3c10ce3e33fc6b676d6c6ef4
--- /dev/null
+++ b/lib/gpu/Makefile.mingw64-cross
@@ -0,0 +1,18 @@
+CUDA_HOME = ../../tools/mingw-cross/OpenCL
+
+OCL_CPP = x86_64-w64-mingw32-g++ -O3 -march=core2 -mtune=core2 -mpc64 \
+ -msse2 -DMPI_GERYON -DUCL_NO_EXIT -I../../src/STUBS \
+ -I$(CUDA_HOME)/include
+OCL_LINK = -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw64 -lOpenCL \
+ -L../../src/STUBS -lmpi_mingw64
+OCL_PREC = -D_SINGLE_DOUBLE
+OCL_TUNE = -DFERMI_OCL
+EXTRAMAKE = Makefile.lammps.mingw-cross
+
+BIN_DIR = Obj_mingw64
+OBJ_DIR = Obj_mingw64
+LIB_DIR = Obj_mingw64
+AR = x86_64-w64-mingw32-ar
+BSH = /bin/sh
+
+include Opencl.makefile
diff --git a/lib/gpu/Makefile.mingw64-cross-mpi b/lib/gpu/Makefile.mingw64-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..cea8155efd38d0fca342ee6b3f56ee0bc54f11c9
--- /dev/null
+++ b/lib/gpu/Makefile.mingw64-cross-mpi
@@ -0,0 +1,20 @@
+CUDA_HOME = ../../tools/mingw-cross/OpenCL
+
+OCL_CPP = x86_64-w64-mingw32-g++ -O3 -march=core2 -mtune=core2 -mpc64 \
+ -msse2 -DMPI_GERYON -DUCL_NO_EXIT -I$(CUDA_HOME)/include \
+ -I../../tools/mingw-cross/mpich2-win64/include/ \
+ -DMPICH_IGNORE_CXX_SEEK
+
+OCL_LINK = -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw64 -lOpenCL \
+ -L../../tools/mingw-cross/mpich2-win64/lib -lmpi
+OCL_PREC = -D_SINGLE_DOUBLE
+OCL_TUNE = -DFERMI_OCL
+EXTRAMAKE = Makefile.lammps.mingw-cross
+
+BIN_DIR = Obj_mingw64-mpi
+OBJ_DIR = Obj_mingw64-mpi
+LIB_DIR = Obj_mingw64-mpi
+AR = x86_64-w64-mingw32-ar
+BSH = /bin/sh
+
+include Opencl.makefile
diff --git a/lib/gpu/Nvidia.makefile b/lib/gpu/Nvidia.makefile
index 2a279ca0cf31df80132b34fe865c78d2b0bb37c1..ce6132dd5636b75d2fadf638aa39db7036854786 100644
--- a/lib/gpu/Nvidia.makefile
+++ b/lib/gpu/Nvidia.makefile
@@ -101,7 +101,10 @@ CBNS = $(OBJ_DIR)/device.cubin $(OBJ_DIR)/device_cubin.h \
$(OBJ_DIR)/lj_coul_debye.cubin $(OBJ_DIR)/lj_coul_debye_cubin.h \
$(OBJ_DIR)/coul_dsf.cubin $(OBJ_DIR)/coul_dsf_cubin.h
-all: $(GPU_LIB) $(EXECS)
+all: $(OBJ_DIR) $(GPU_LIB) $(EXECS)
+
+$(OBJ_DIR):
+ mkdir -p $@
$(OBJ_DIR)/cudpp.o: cudpp_mini/cudpp.cpp
$(CUDR) -o $@ -c cudpp_mini/cudpp.cpp -Icudpp_mini
diff --git a/lib/gpu/Opencl.makefile b/lib/gpu/Opencl.makefile
index e66accfe706ff6c458f837fd2a13749f6f1cf455..b476003ecdc0e33a0d5cd8023fe35854ea8bf278 100644
--- a/lib/gpu/Opencl.makefile
+++ b/lib/gpu/Opencl.makefile
@@ -73,7 +73,10 @@ KERS = $(OBJ_DIR)/device_cl.h $(OBJ_DIR)/atom_cl.h \
OCL_EXECS = $(BIN_DIR)/ocl_get_devices
-all: $(OCL_LIB) $(EXECS)
+all: $(OBJ_DIR) $(OCL_LIB) $(EXECS)
+
+$(OBJ_DIR):
+ mkdir -p $@
$(OBJ_DIR)/atom_cl.h: lal_atom.cu lal_preprocessor.h
$(BSH) ./geryon/file_to_cstr.sh atom lal_preprocessor.h lal_atom.cu $(OBJ_DIR)/atom_cl.h
diff --git a/lib/linalg/Makefile.mingw32-cross b/lib/linalg/Makefile.mingw32-cross
new file mode 100755
index 0000000000000000000000000000000000000000..3facd2b009687304dc61fe9519e315fddb92a264
--- /dev/null
+++ b/lib/linalg/Makefile.mingw32-cross
@@ -0,0 +1,85 @@
+# *
+# *_________________________________________________________________________*
+# * Minimal BLAS/LAPACK Library for ATC and AWPMD
+
+# To compile and link LAMMPS to the linalg library generated by this Makefile,
+# adjust the corresponding definitions in the library's Makefile.lammps file.
+#
+# for lib/atc/Makefile.lammps use:
+# user-atc_SYSINC =
+# user-atc_SYSLIB = ../../lib/linalg/$(LIBOBJDIR)liblinalg.a -lgfortran
+# user-atc_SYSPATH =
+#
+# for lib/awpmd/Makefile.lammps use:
+# user-awpmd_SYSINC =
+# user-awpmd_SYSLIB = ../../lib/linalg/$(LIBOBJDIR)liblinalg.a -lgfortran
+# user-awpmd_SYSPATH =
+
+SHELL = /bin/sh
+
+# ------ FILES ------
+
+SRC = dasum.f daxpy.f dcopy.f ddot.f dgecon.f dgemm.f dgemv.f dger.f \
+ dgetf2.f dgetrf.f dgetri.f disnan.f dlabad.f dlaisnan.f dlamch.f\
+ dlacn2.f dlange.f dlassq.f dlaswp.f dlatrs.f drscl.f dscal.f \
+ dswap.f dtrmm.f dtrmv.f dtrsm.f dtrsv.f dtrti2.f dtrtri.f \
+ idamax.f ieeeck.f ilaenv.f iparmq.f lsame.f xerbla.f zdotc.f \
+ zdscal.f zhpr.f zpptrf.f zpptri.f zscal.f ztpmv.f ztpsv.f ztptri.f
+
+FILES = $(SRC) Makefile.* README
+
+# ------ DEFINITIONS ------
+
+DIR = Obj_mingw32/
+LIB = $(DIR)liblinalg.a
+OBJ = $(SRC:%.f=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+FC = i686-w64-mingw32-gfortran
+FFLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \
+ -ffast-math -funroll-loops -fstrict-aliasing -Wall -W \
+ -Wno-uninitialized -fno-second-underscore
+FFLAGS0 = -O0 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \
+ -Wall -W -Wno-uninitialized -fno-second-underscore
+ARCHIVE = i686-w64-mingw32-ar
+AR = i686-w64-mingw32-ar
+ARCHFLAG = -rcs
+USRLIB =
+SYSLIB =
+
+.PHONY: default clean tar
+
+.SUFFIXES:
+.SUFFIXES: .F .f .o
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB)
+
+$(LIB): $(OBJ)
+ $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
+
+$(DIR):
+ mkdir $(DIR)
+
+# ------ COMPILE RULES ------
+
+$(DIR)%.o:%.F
+ $(F90) $(F90FLAGS) -c $< -o $@
+
+$(DIR)%.o:%.f
+ $(FC) $(FFLAGS) -c $< -o $@
+
+$(DIR)dlamch.o: dlamch.f
+ $(FC) $(FFLAGS0) -c $< -o $@
+
+# ------ CLEAN ------
+
+clean:
+ -rm $(DIR)*.o $(DIR)*.mod *~ $(LIB)
+ -rmdir $(DIR)
+
+tar:
+ -tar -czvf ../linalg.tar.gz $(FILES)
+
diff --git a/lib/linalg/Makefile.mingw32-cross-mpi b/lib/linalg/Makefile.mingw32-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..cc2a76111a555bb51d002be8c286b1823f745284
--- /dev/null
+++ b/lib/linalg/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) $(MFLAGS) clean-mingw32-cross
+ rm -f Obj_mingw32-mpi
+
diff --git a/lib/linalg/Makefile.mingw64-cross b/lib/linalg/Makefile.mingw64-cross
new file mode 100755
index 0000000000000000000000000000000000000000..fa918a228753eb811c3c465234231630620d4153
--- /dev/null
+++ b/lib/linalg/Makefile.mingw64-cross
@@ -0,0 +1,85 @@
+# *
+# *_________________________________________________________________________*
+# * Minimal BLAS/LAPACK Library for ATC and AWPMD
+
+# To compile and link LAMMPS to the linalg library generated by this Makefile,
+# adjust the corresponding definitions in the library's Makefile.lammps file.
+#
+# for lib/atc/Makefile.lammps use:
+# user-atc_SYSINC =
+# user-atc_SYSLIB = ../../lib/linalg/$(LIBOBJDIR)liblinalg.a -lgfortran
+# user-atc_SYSPATH =
+#
+# for lib/awpmd/Makefile.lammps use:
+# user-awpmd_SYSINC =
+# user-awpmd_SYSLIB = ../../lib/linalg/$(LIBOBJDIR)liblinalg.a -lgfortran
+# user-awpmd_SYSPATH =
+
+SHELL = /bin/sh
+
+# ------ FILES ------
+
+SRC = dasum.f daxpy.f dcopy.f ddot.f dgecon.f dgemm.f dgemv.f dger.f \
+ dgetf2.f dgetrf.f dgetri.f disnan.f dlabad.f dlaisnan.f dlamch.f\
+ dlacn2.f dlange.f dlassq.f dlaswp.f dlatrs.f drscl.f dscal.f \
+ dswap.f dtrmm.f dtrmv.f dtrsm.f dtrsv.f dtrti2.f dtrtri.f \
+ idamax.f ieeeck.f ilaenv.f iparmq.f lsame.f xerbla.f zdotc.f \
+ zdscal.f zhpr.f zpptrf.f zpptri.f zscal.f ztpmv.f ztpsv.f ztptri.f
+
+FILES = $(SRC) Makefile.* README
+
+# ------ DEFINITIONS ------
+
+DIR = Obj_mingw64/
+LIB = $(DIR)liblinalg.a
+OBJ = $(SRC:%.f=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+FC = x86_64-w64-mingw32-gfortran
+FFLAGS = -O3 -march=core2 -mtune=generic -msse2 -mpc64 \
+ -ffast-math -funroll-loops -fstrict-aliasing -Wall -W \
+ -Wno-uninitialized -fno-second-underscore
+FFLAGS0 = -O0 -march=core2 -mtune=generic -msse2 -mpc64 \
+ -Wall -W -Wno-uninitialized -fno-second-underscore
+ARCHIVE = x86_64-w64-mingw32-ar
+AR = x86_64-w64-mingw32-ar
+ARCHFLAG = -rcs
+USRLIB =
+SYSLIB =
+
+.PHONY: default clean tar
+
+.SUFFIXES:
+.SUFFIXES: .F .f .o
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB)
+
+$(LIB): $(OBJ)
+ $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
+
+$(DIR):
+ mkdir $(DIR)
+
+# ------ COMPILE RULES ------
+
+$(DIR)%.o:%.F
+ $(F90) $(F90FLAGS) -c $< -o $@
+
+$(DIR)%.o:%.f
+ $(FC) $(FFLAGS) -c $< -o $@
+
+$(DIR)dlamch.o: dlamch.f
+ $(FC) $(FFLAGS0) -c $< -o $@
+
+# ------ CLEAN ------
+
+clean:
+ -rm $(DIR)*.o $(DOR)*.mod *~ $(LIB)
+ -rmdir $(DIR)
+
+tar:
+ -tar -czvf ../linalg.tar.gz $(FILES)
+
diff --git a/lib/linalg/Makefile.mingw64-cross-mpi b/lib/linalg/Makefile.mingw64-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..1ec1a0995b1a8180c0ea3ba35cce6a66252495aa
--- /dev/null
+++ b/lib/linalg/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
+
diff --git a/lib/meam/Makefile.mingw32-cross b/lib/meam/Makefile.mingw32-cross
new file mode 100644
index 0000000000000000000000000000000000000000..ee6516d2002e6687e730a5146efe23b989452131
--- /dev/null
+++ b/lib/meam/Makefile.mingw32-cross
@@ -0,0 +1,65 @@
+# * -*- makefile -*-
+# *_________________________________________________________________________*
+# * MEAM: MODEFIED EMBEDDED ATOM METHOD *
+# * DESCRIPTION: SEE READ-ME *
+# * FILE NAME: Makefile *
+# * AUTHORS: Greg Wagner, Sandia National Laboratories *
+# * CONTACT: gjwagne@sandia.gov *
+# *_________________________________________________________________________*/
+
+SHELL = /bin/sh
+
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.gfortran
+
+# ------ FILES ------
+
+SRC = meam_data.F meam_setup_done.F meam_setup_global.F meam_setup_param.F meam_dens_init.F meam_dens_final.F meam_force.F meam_cleanup.F
+
+FILES = $(SRC) Makefile
+
+# ------ DEFINITIONS ------
+
+DIR = Obj_mingw32/
+LIB = $(DIR)libmeam.a
+OBJ = $(SRC:%.F=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+F90 = i686-w64-mingw32-gfortran
+F90FLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \
+ -ffast-math -funroll-loops -fstrict-aliasing -J$(DIR) \
+ -Wall -W -Wno-uninitialized -fno-second-underscore
+#F90FLAGS = -O
+ARCHIVE = i686-w64-mingw32-ar
+ARCHFLAG = -rcs
+LINK = i686-w64-mingw32-g++
+LINKFLAGS = -O
+USRLIB =
+SYSLIB =
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB)
+
+$(DIR):
+ -mkdir $(DIR)
+
+$(LIB): $(OBJ)
+ $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
+ @cp $(EXTRAMAKE) Makefile.lammps
+
+# ------ COMPILE RULES ------
+
+$(DIR)%.o:%.F
+ $(F90) $(F90FLAGS) -c $< -o $@
+
+# ------ CLEAN ------
+
+clean:
+ -rm $(DIR)*.o $(DIR)*.mod *~ $(LIB)
+ -rmdir $(DIR)
+
+tar:
+ -tar -cvf ../MEAM.tar $(FILES)
diff --git a/lib/meam/Makefile.mingw32-cross-mpi b/lib/meam/Makefile.mingw32-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..cc2a76111a555bb51d002be8c286b1823f745284
--- /dev/null
+++ b/lib/meam/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
+
diff --git a/lib/meam/Makefile.mingw64-cross b/lib/meam/Makefile.mingw64-cross
new file mode 100644
index 0000000000000000000000000000000000000000..4cfccc80c9281c285279d86d1fe7283548d3e511
--- /dev/null
+++ b/lib/meam/Makefile.mingw64-cross
@@ -0,0 +1,65 @@
+# * -*- makefile -*-
+# *_________________________________________________________________________*
+# * MEAM: MODEFIED EMBEDDED ATOM METHOD *
+# * DESCRIPTION: SEE READ-ME *
+# * FILE NAME: Makefile *
+# * AUTHORS: Greg Wagner, Sandia National Laboratories *
+# * CONTACT: gjwagne@sandia.gov *
+# *_________________________________________________________________________*/
+
+SHELL = /bin/sh
+
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.gfortran
+
+# ------ FILES ------
+
+SRC = meam_data.F meam_setup_done.F meam_setup_global.F meam_setup_param.F meam_dens_init.F meam_dens_final.F meam_force.F meam_cleanup.F
+
+FILES = $(SRC) Makefile
+
+# ------ DEFINITIONS ------
+
+DIR = Obj_mingw64/
+LIB = $(DIR)libmeam.a
+OBJ = $(SRC:%.F=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+F90 = x86_64-w64-mingw32-gfortran
+F90FLAGS = -O3 -march=core2 -mtune=core2 -msse2 -mpc64 \
+ -ffast-math -funroll-loops -fstrict-aliasing -J$(DIR) \
+ -Wall -W -Wno-uninitialized -fno-second-underscore
+#F90FLAGS = -O
+ARCHIVE = x86_64-w64-mingw32-ar
+ARCHFLAG = -rcs
+LINK = x86_64-w64-mingw32-g++
+LINKFLAGS = -O
+USRLIB =
+SYSLIB =
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB)
+
+$(DIR):
+ -mkdir $(DIR)
+
+$(LIB): $(OBJ)
+ $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
+ @cp $(EXTRAMAKE) Makefile.lammps
+
+# ------ COMPILE RULES ------
+
+$(DIR)%.o:%.F
+ $(F90) $(F90FLAGS) -c $< -o $@
+
+# ------ CLEAN ------
+
+clean:
+ -rm $(DIR)*.o $(DIR)*.mod *~ $(LIB)
+ -rmdir $(DIR)
+
+tar:
+ -tar -cvf ../MEAM.tar $(FILES)
diff --git a/lib/meam/Makefile.mingw64-cross-mpi b/lib/meam/Makefile.mingw64-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..1ec1a0995b1a8180c0ea3ba35cce6a66252495aa
--- /dev/null
+++ b/lib/meam/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
+
diff --git a/lib/poems/Makefile.mingw32-cross b/lib/poems/Makefile.mingw32-cross
new file mode 100644
index 0000000000000000000000000000000000000000..3a32f059552b6a809bedff2590ebd1c4eb3b1dba
--- /dev/null
+++ b/lib/poems/Makefile.mingw32-cross
@@ -0,0 +1,113 @@
+# *
+# *_________________________________________________________________________*
+# * POEMS: PARALLELIZABLE OPEN SOURCE EFFICIENT MULTIBODY SOFTWARE *
+# * DESCRIPTION: SEE READ-ME *
+# * FILE NAME: Makefile *
+# * AUTHORS: See Author List *
+# * GRANTS: See Grants List *
+# * COPYRIGHT: (C) 2005 by Authors as listed in Author's List *
+# * LICENSE: Please see License Agreement *
+# * DOWNLOAD: Free at www.rpi.edu/~anderk5 *
+# * ADMINISTRATOR: Prof. Kurt Anderson *
+# * Computational Dynamics Lab *
+# * Rensselaer Polytechnic Institute *
+# * 110 8th St. Troy NY 12180 *
+# * CONTACT: anderk5@rpi.edu *
+# *_________________________________________________________________________*/
+
+SHELL = /bin/sh
+
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.empty
+
+# ------ FILES ------
+
+SRC_MAIN = workspace.cpp system.cpp poemsobject.cpp
+INC_MAIN = workspace.h system.h poemsobject.h
+
+SRC_BODY = body.cpp rigidbody.cpp particle.cpp inertialframe.cpp
+INC_BODY = bodies.h body.h rigidbody.h particle.h inertialframe.h
+
+
+SRC_JOINT = joint.cpp revolutejoint.cpp prismaticjoint.cpp sphericaljoint.cpp \
+ freebodyjoint.cpp body23joint.cpp mixedjoint.cpp
+INC_JOINT = joints.h joint.h revolutejoint.h prismaticjoint.h sphericaljoint.h \
+ freebodyjoint.h body23joint.h mixedjoint.h
+
+SRC_POINT = point.cpp fixedpoint.cpp
+INC_POINT = points.h point.h fixedpoint.h
+
+SRC_SOLVE = solver.cpp
+INC_SOLVE = solver.h
+
+SRC_ORDERN = onsolver.cpp onfunctions.cpp onbody.cpp
+INC_ORDERN = onsolver.h onfunctions.h onbody.h
+
+SRC_MAT = virtualmatrix.cpp matrix.cpp matrixfun.cpp mat3x3.cpp virtualcolmatrix.cpp \
+ colmatrix.cpp vect3.cpp virtualrowmatrix.cpp rowmatrix.cpp mat6x6.cpp vect6.cpp \
+ fastmatrixops.cpp colmatmap.cpp eulerparameters.cpp vect4.cpp norm.cpp mat4x4.cpp \
+
+INC_MAT = matrices.h virtualmatrix.h matrix.h matrixfun.h mat3x3.h virtualcolmatrix.h \
+ colmatrix.h vect3.h virtualrowmatrix.h rowmatrix.h mat6x6.h vect6.h \
+ fastmatrixops.h colmatmap.h eulerparameters.h vect4.h norm.h mat4x4.h
+
+SRC_MISC = poemstreenode.cpp
+INC_MISC = poemslist.h poemstreenode.h poemstree.h poemsnodelib.h SystemProcessor.h defines.h POEMSChain.h
+
+SRC = $(SRC_MAIN) $(SRC_BODY) $(SRC_JOINT) $(SRC_POINT) $(SRC_SOLVE) $(SRC_ORDERN) $(SRC_MAT) $(SRC_MISC)
+INC = $(INC_MAIN) $(INC_BODY) $(INC_JOINT) $(INC_POINT) $(INC_SOLVE) $(INC_ORDERN) $(INC_MAT) $(INC_MISC)
+
+FILES = $(SRC) $(INC) Makefile Authors_List.txt Grants_List.txt POEMS_License.txt README Copyright_Notice
+
+# ------ DEFINITIONS ------
+
+DIR = Obj_mingw32/
+LIB = $(DIR)libpoems.a
+OBJ = $(SRC:%.cpp=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+CC = i686-w64-mingw32-g++
+CCFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \
+ -ffast-math -funroll-loops -finline-functions -fno-rtti \
+ -fno-exceptions -fstrict-aliasing \
+ -Wall -W -Wno-uninitialized
+ARCHIVE = i686-w64-mingw32-ar
+ARCHFLAG = -rcs
+DEPFLAGS = -M
+LINK = i686-w64-mingw32-g++
+LINKFLAGS = -O
+USRLIB =
+SYSLIB =
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB)
+
+$(DIR):
+ -mkdir $(DIR)
+
+$(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 $(DIR)*.o $(DIR)*.d *~ $(LIB)
+
+tar:
+ -tar -cvf ../POEMS.tar $(FILES)
diff --git a/lib/poems/Makefile.mingw32-cross-mpi b/lib/poems/Makefile.mingw32-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..cc2a76111a555bb51d002be8c286b1823f745284
--- /dev/null
+++ b/lib/poems/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
+
diff --git a/lib/poems/Makefile.mingw64-cross b/lib/poems/Makefile.mingw64-cross
new file mode 100644
index 0000000000000000000000000000000000000000..4fcbe1d23ae5dece3fcb5411013d900f425db1ac
--- /dev/null
+++ b/lib/poems/Makefile.mingw64-cross
@@ -0,0 +1,113 @@
+# *
+# *_________________________________________________________________________*
+# * POEMS: PARALLELIZABLE OPEN SOURCE EFFICIENT MULTIBODY SOFTWARE *
+# * DESCRIPTION: SEE READ-ME *
+# * FILE NAME: Makefile *
+# * AUTHORS: See Author List *
+# * GRANTS: See Grants List *
+# * COPYRIGHT: (C) 2005 by Authors as listed in Author's List *
+# * LICENSE: Please see License Agreement *
+# * DOWNLOAD: Free at www.rpi.edu/~anderk5 *
+# * ADMINISTRATOR: Prof. Kurt Anderson *
+# * Computational Dynamics Lab *
+# * Rensselaer Polytechnic Institute *
+# * 110 8th St. Troy NY 12180 *
+# * CONTACT: anderk5@rpi.edu *
+# *_________________________________________________________________________*/
+
+SHELL = /bin/sh
+
+# which file will be copied to Makefile.lammps
+
+EXTRAMAKE = Makefile.lammps.empty
+
+# ------ FILES ------
+
+SRC_MAIN = workspace.cpp system.cpp poemsobject.cpp
+INC_MAIN = workspace.h system.h poemsobject.h
+
+SRC_BODY = body.cpp rigidbody.cpp particle.cpp inertialframe.cpp
+INC_BODY = bodies.h body.h rigidbody.h particle.h inertialframe.h
+
+
+SRC_JOINT = joint.cpp revolutejoint.cpp prismaticjoint.cpp sphericaljoint.cpp \
+ freebodyjoint.cpp body23joint.cpp mixedjoint.cpp
+INC_JOINT = joints.h joint.h revolutejoint.h prismaticjoint.h sphericaljoint.h \
+ freebodyjoint.h body23joint.h mixedjoint.h
+
+SRC_POINT = point.cpp fixedpoint.cpp
+INC_POINT = points.h point.h fixedpoint.h
+
+SRC_SOLVE = solver.cpp
+INC_SOLVE = solver.h
+
+SRC_ORDERN = onsolver.cpp onfunctions.cpp onbody.cpp
+INC_ORDERN = onsolver.h onfunctions.h onbody.h
+
+SRC_MAT = virtualmatrix.cpp matrix.cpp matrixfun.cpp mat3x3.cpp virtualcolmatrix.cpp \
+ colmatrix.cpp vect3.cpp virtualrowmatrix.cpp rowmatrix.cpp mat6x6.cpp vect6.cpp \
+ fastmatrixops.cpp colmatmap.cpp eulerparameters.cpp vect4.cpp norm.cpp mat4x4.cpp \
+
+INC_MAT = matrices.h virtualmatrix.h matrix.h matrixfun.h mat3x3.h virtualcolmatrix.h \
+ colmatrix.h vect3.h virtualrowmatrix.h rowmatrix.h mat6x6.h vect6.h \
+ fastmatrixops.h colmatmap.h eulerparameters.h vect4.h norm.h mat4x4.h
+
+SRC_MISC = poemstreenode.cpp
+INC_MISC = poemslist.h poemstreenode.h poemstree.h poemsnodelib.h SystemProcessor.h defines.h POEMSChain.h
+
+SRC = $(SRC_MAIN) $(SRC_BODY) $(SRC_JOINT) $(SRC_POINT) $(SRC_SOLVE) $(SRC_ORDERN) $(SRC_MAT) $(SRC_MISC)
+INC = $(INC_MAIN) $(INC_BODY) $(INC_JOINT) $(INC_POINT) $(INC_SOLVE) $(INC_ORDERN) $(INC_MAT) $(INC_MISC)
+
+FILES = $(SRC) $(INC) Makefile Authors_List.txt Grants_List.txt POEMS_License.txt README Copyright_Notice
+
+# ------ DEFINITIONS ------
+
+DIR = Obj_mingw64/
+LIB = $(DIR)libpoems.a
+OBJ = $(SRC:%.cpp=$(DIR)%.o)
+
+# ------ SETTINGS ------
+
+CC = x86_64-w64-mingw32-g++
+CCFLAGS = -O2 -march=core2 -mtune=core2 -msse2 -mpc64 \
+ -ffast-math -funroll-loops -finline-functions -fno-rtti \
+ -fno-exceptions -fstrict-aliasing \
+ -Wall -W -Wno-uninitialized
+ARCHIVE = x86_64-w64-mingw32-ar
+ARCHFLAG = -rcs
+DEPFLAGS = -M
+LINK = x86_64-w64-mingw32-g++
+LINKFLAGS = -O
+USRLIB =
+SYSLIB =
+
+# ------ MAKE PROCEDURE ------
+
+default: $(DIR) $(LIB)
+
+$(DIR):
+ -mkdir $(DIR)
+
+$(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 $(DIR)*.o $(DIR)*.d *~ $(LIB)
+
+tar:
+ -tar -cvf ../POEMS.tar $(FILES)
diff --git a/lib/poems/Makefile.mingw64-cross-mpi b/lib/poems/Makefile.mingw64-cross-mpi
new file mode 100644
index 0000000000000000000000000000000000000000..1ec1a0995b1a8180c0ea3ba35cce6a66252495aa
--- /dev/null
+++ b/lib/poems/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
+