0286c3e2be
this is done by - not automatically calling Py_Finalize() when destructing a python interpreter - adding wrapper functions so that the call to Py_Finalize() is hidden and skipped if Python support is no included. - call the Python::finalize() wrapper in main.cpp (similar to the equivalent Kokkos function) - add a wrapper of that call to the C library interface
144 lines
3.6 KiB
C++
144 lines
3.6 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef LMP_PYTHON_IMPL_H
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#define LMP_PYTHON_IMPL_H
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#include "lmppython.h"
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#include "pointers.h"
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namespace LAMMPS_NS {
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class PythonImpl : protected Pointers, public PythonInterface {
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public:
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PythonImpl(class LAMMPS *);
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~PythonImpl();
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void command(int, char **);
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void invoke_function(int, char *);
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int find(const char *);
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int variable_match(const char *, const char *, int);
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char *long_string(int);
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int execute_string(char *);
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int execute_file(char *);
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bool has_minimum_version(int major, int minor);
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static void finalize();
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private:
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void *pyMain;
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struct PyFunc {
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char *name;
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int ninput, noutput;
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int *itype, *ivarflag;
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int *ivalue;
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double *dvalue;
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char **svalue;
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int otype;
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char *ovarname;
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char *longstr;
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int length_longstr;
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void *pFunc;
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};
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PyFunc *pfuncs;
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int nfunc;
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int create_entry(char *, int, int, int, char **, char *, char *);
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void deallocate(int);
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};
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} // namespace LAMMPS_NS
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#endif
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/* ERROR/WARNING messages:
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E: Could not initialize embedded Python
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The main module in Python was not accessible.
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E: Invalid python command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Python invoke of undefined function
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Cannot invoke a function that has not been previously defined.
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E: Python variable does not match Python function
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This matching is defined by the python-style variable and the python
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command.
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E: Could not process Python source command
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UNDOCUMENTED
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E: Could not open Python file
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The specified file of Python code cannot be opened. Check that the
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path and name are correct.
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E: Could not process Python file
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The Python code in the specified file was not run successfully by
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Python, probably due to errors in the Python code.
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E: Could not process Python string
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The Python code in the here string was not run successfully by Python,
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probably due to errors in the Python code.
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E: Could not find Python function
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The provided Python code was run successfully, but it not
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define a callable function with the required name.
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E: Python function is not callable
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The provided Python code was run successfully, but it not
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define a callable function with the required name.
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E: Could not create Python function arguments
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This is an internal Python error, possibly because the number
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of inputs to the function is too large.
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E: Could not evaluate Python function input variable
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Self-explanatory.
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E: Unsupported variable type
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UNDOCUMENTED
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E: Python function evaluation failed
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The Python function did not run successfully and/or did not return a
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value (if it is supposed to return a value). This is probably due to
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some error condition in the function.
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E: Python command length keyword cannot be used unless output is a string
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UNDOCUMENTED
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U: Cannot embed Python when also extending Python with LAMMPS
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When running LAMMPS via Python through the LAMMPS library interface
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you cannot also user the input script python command.
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*/
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