Loading src/.gitignore +1 −0 Original line number Diff line number Diff line Loading @@ -850,6 +850,7 @@ /prd.h /python_impl.cpp /python_impl.h /python_compat.h /fix_python.cpp /fix_python.h /pair_python.cpp Loading src/PYTHON/fix_python.cpp +5 −7 Original line number Diff line number Diff line Loading @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing author: Axel Kohlmeyer and Richard Berger (Temple U) ------------------------------------------------------------------------- */ #include <stdio.h> #include <string.h> #include "fix_python.h" Loading @@ -20,17 +24,11 @@ #include "respa.h" #include "error.h" #include "python.h" #include "python_compat.h" using namespace LAMMPS_NS; using namespace FixConst; // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #elif PY_MAJOR_VERSION == 3 #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #endif /* ---------------------------------------------------------------------- */ FixPython::FixPython(LAMMPS *lmp, int narg, char **arg) : Loading src/PYTHON/pair_python.cpp +1 −16 Original line number Diff line number Diff line Loading @@ -27,25 +27,10 @@ #include "neigh_list.h" #include "python.h" #include "error.h" #include "python_compat.h" using namespace LAMMPS_NS; // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_INT_FROM_LONG(X) PyInt_FromLong(X) #define PY_INT_AS_LONG(X) PyInt_AsLong(X) #define PY_STRING_FROM_STRING(X) PyString_FromString(X) #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #define PY_STRING_AS_STRING(X) PyString_AsString(X) #elif PY_MAJOR_VERSION == 3 #define PY_INT_FROM_LONG(X) PyLong_FromLong(X) #define PY_INT_AS_LONG(X) PyLong_AsLong(X) #define PY_STRING_FROM_STRING(X) PyUnicode_FromString(X) #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #define PY_STRING_AS_STRING(X) PyUnicode_AsUTF8(X) #endif /* ---------------------------------------------------------------------- */ PairPython::PairPython(LAMMPS *lmp) : Pair(lmp) { Loading src/PYTHON/python_compat.h 0 → 100644 +33 −0 Original line number Diff line number Diff line /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #ifndef LMP_PYTHON_COMPAT_H #define LMP_PYTHON_COMPAT_H // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_INT_FROM_LONG(X) PyInt_FromLong(X) #define PY_INT_AS_LONG(X) PyInt_AsLong(X) #define PY_STRING_FROM_STRING(X) PyString_FromString(X) #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #define PY_STRING_AS_STRING(X) PyString_AsString(X) #elif PY_MAJOR_VERSION == 3 #define PY_INT_FROM_LONG(X) PyLong_FromLong(X) #define PY_INT_AS_LONG(X) PyLong_AsLong(X) #define PY_STRING_FROM_STRING(X) PyUnicode_FromString(X) #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #define PY_STRING_AS_STRING(X) PyUnicode_AsUTF8(X) #endif #endif src/PYTHON/python_impl.cpp +5 −15 Original line number Diff line number Diff line Loading @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing author: Axel Kohlmeyer and Richard Berger (Temple U) ------------------------------------------------------------------------- */ #include <Python.h> #include "python.h" #include "force.h" Loading @@ -18,6 +22,7 @@ #include "variable.h" #include "memory.h" #include "error.h" #include "python_compat.h" using namespace LAMMPS_NS; Loading @@ -25,21 +30,6 @@ enum{NONE,INT,DOUBLE,STRING,PTR}; #define VALUELENGTH 64 // also in variable.cpp // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_INT_FROM_LONG(X) PyInt_FromLong(X) #define PY_INT_AS_LONG(X) PyInt_AsLong(X) #define PY_STRING_FROM_STRING(X) PyString_FromString(X) #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #define PY_STRING_AS_STRING(X) PyString_AsString(X) #elif PY_MAJOR_VERSION == 3 #define PY_INT_FROM_LONG(X) PyLong_FromLong(X) #define PY_INT_AS_LONG(X) PyLong_AsLong(X) #define PY_STRING_FROM_STRING(X) PyUnicode_FromString(X) #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #define PY_STRING_AS_STRING(X) PyUnicode_AsUTF8(X) #endif /* ---------------------------------------------------------------------- */ Loading Loading
src/.gitignore +1 −0 Original line number Diff line number Diff line Loading @@ -850,6 +850,7 @@ /prd.h /python_impl.cpp /python_impl.h /python_compat.h /fix_python.cpp /fix_python.h /pair_python.cpp Loading
src/PYTHON/fix_python.cpp +5 −7 Original line number Diff line number Diff line Loading @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing author: Axel Kohlmeyer and Richard Berger (Temple U) ------------------------------------------------------------------------- */ #include <stdio.h> #include <string.h> #include "fix_python.h" Loading @@ -20,17 +24,11 @@ #include "respa.h" #include "error.h" #include "python.h" #include "python_compat.h" using namespace LAMMPS_NS; using namespace FixConst; // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #elif PY_MAJOR_VERSION == 3 #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #endif /* ---------------------------------------------------------------------- */ FixPython::FixPython(LAMMPS *lmp, int narg, char **arg) : Loading
src/PYTHON/pair_python.cpp +1 −16 Original line number Diff line number Diff line Loading @@ -27,25 +27,10 @@ #include "neigh_list.h" #include "python.h" #include "error.h" #include "python_compat.h" using namespace LAMMPS_NS; // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_INT_FROM_LONG(X) PyInt_FromLong(X) #define PY_INT_AS_LONG(X) PyInt_AsLong(X) #define PY_STRING_FROM_STRING(X) PyString_FromString(X) #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #define PY_STRING_AS_STRING(X) PyString_AsString(X) #elif PY_MAJOR_VERSION == 3 #define PY_INT_FROM_LONG(X) PyLong_FromLong(X) #define PY_INT_AS_LONG(X) PyLong_AsLong(X) #define PY_STRING_FROM_STRING(X) PyUnicode_FromString(X) #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #define PY_STRING_AS_STRING(X) PyUnicode_AsUTF8(X) #endif /* ---------------------------------------------------------------------- */ PairPython::PairPython(LAMMPS *lmp) : Pair(lmp) { Loading
src/PYTHON/python_compat.h 0 → 100644 +33 −0 Original line number Diff line number Diff line /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #ifndef LMP_PYTHON_COMPAT_H #define LMP_PYTHON_COMPAT_H // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_INT_FROM_LONG(X) PyInt_FromLong(X) #define PY_INT_AS_LONG(X) PyInt_AsLong(X) #define PY_STRING_FROM_STRING(X) PyString_FromString(X) #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #define PY_STRING_AS_STRING(X) PyString_AsString(X) #elif PY_MAJOR_VERSION == 3 #define PY_INT_FROM_LONG(X) PyLong_FromLong(X) #define PY_INT_AS_LONG(X) PyLong_AsLong(X) #define PY_STRING_FROM_STRING(X) PyUnicode_FromString(X) #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #define PY_STRING_AS_STRING(X) PyUnicode_AsUTF8(X) #endif #endif
src/PYTHON/python_impl.cpp +5 −15 Original line number Diff line number Diff line Loading @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing author: Axel Kohlmeyer and Richard Berger (Temple U) ------------------------------------------------------------------------- */ #include <Python.h> #include "python.h" #include "force.h" Loading @@ -18,6 +22,7 @@ #include "variable.h" #include "memory.h" #include "error.h" #include "python_compat.h" using namespace LAMMPS_NS; Loading @@ -25,21 +30,6 @@ enum{NONE,INT,DOUBLE,STRING,PTR}; #define VALUELENGTH 64 // also in variable.cpp // Wrap API changes between Python 2 and 3 using macros #if PY_MAJOR_VERSION == 2 #define PY_INT_FROM_LONG(X) PyInt_FromLong(X) #define PY_INT_AS_LONG(X) PyInt_AsLong(X) #define PY_STRING_FROM_STRING(X) PyString_FromString(X) #define PY_VOID_POINTER(X) PyCObject_FromVoidPtr((void *) X, NULL) #define PY_STRING_AS_STRING(X) PyString_AsString(X) #elif PY_MAJOR_VERSION == 3 #define PY_INT_FROM_LONG(X) PyLong_FromLong(X) #define PY_INT_AS_LONG(X) PyLong_AsLong(X) #define PY_STRING_FROM_STRING(X) PyUnicode_FromString(X) #define PY_VOID_POINTER(X) PyCapsule_New((void *) X, NULL, NULL) #define PY_STRING_AS_STRING(X) PyUnicode_AsUTF8(X) #endif /* ---------------------------------------------------------------------- */ Loading
