python-runner/hoomd.cc

   1 /*
   2 Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition
   3 (HOOMD-blue) Open Source Software License Copyright 2008-2011 Ames Laboratory
   4 Iowa State University and The Regents of the University of Michigan All rights
   5 reserved.
   6
   7 HOOMD-blue may contain modifications ("Contributions") provided, and to which
   8 copyright is held, by various Contributors who have granted The Regents of the
   9 University of Michigan the right to modify and/or distribute such Contributions.
  10
  11 You may redistribute, use, and create derivate works of HOOMD-blue, in source
  12 and binary forms, provided you abide by the following conditions:
  13
  14 * Redistributions of source code must retain the above copyright notice, this
  15 list of conditions, and the following disclaimer both in the code and
  16 prominently in any materials provided with the distribution.
  17
  18 * Redistributions in binary form must reproduce the above copyright notice, this
  19 list of conditions, and the following disclaimer in the documentation and/or
  20 other materials provided with the distribution.
  21
  22 * All publications and presentations based on HOOMD-blue, including any reports
  23 or published results obtained, in whole or in part, with HOOMD-blue, will
  24 acknowledge its use according to the terms posted at the time of submission on:
  25 http://codeblue.umich.edu/hoomd-blue/citations.html
  26
  27 * Any electronic documents citing HOOMD-Blue will link to the HOOMD-Blue website:
  28 http://codeblue.umich.edu/hoomd-blue/
  29
  30 * Apart from the above required attributions, neither the name of the copyright
  31 holder nor the names of HOOMD-blue's contributors may be used to endorse or
  32 promote products derived from this software without specific prior written
  33 permission.
  34
  35 Disclaimer
  36
  37 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDER AND CONTRIBUTORS ``AS IS'' AND
  38 ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
  39 WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND/OR ANY
  40 WARRANTIES THAT THIS SOFTWARE IS FREE OF INFRINGEMENT ARE DISCLAIMED.
  41
  42 IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
  43 INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING,
  44 BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
  45 DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
  46 LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE
  47 OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
  48 ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
  49 */
  50
  51 // Maintainer: joaander
  52
  53 // temporarily work around issues with the new boost fileystem libraries
  54 // http://www.boost.org/doc/libs/1_46_1/libs/filesystem/v3/doc/index.htm
  55
  56 #ifdef WIN32
  57 #pragma warning( push )
  58 #pragma warning( disable : 4103 4244 )
  59 #endif
  60
  61 #include <boost/version.hpp>
  62 #include <boost/python.hpp>
  63
  64 #include <boost/filesystem/operations.hpp>
  65 #include <boost/filesystem/convenience.hpp>
  66
  67 using namespace boost::filesystem;
  68
  69 #include "PathUtils.h"
  70 #include "HOOMDVersion.h"
  71
  72 #include <string>
  73 #include <sstream>
  74 #include <list>
  75 #include <iostream>
  76 using namespace std;
  77
  78 // hack to support both version 2 and version 3 of the boost filesystem API
  79 #if (BOOST_VERSION >= 104400)
  80 #define native_file_string string
  81 #endif
  82
  83 /*! \file hoomd.cc
  84     \brief Executable for running python scripts with the hoomd module builtin
  85 */
  86
  87 //! forward declaration of the inithoomd function that inits the python module from hoomd_module.cc
  88 extern "C" void inithoomd();
  89
  90 //! A simple method for finding the hoomd_script python module
  91 string find_hoomd_script()
  92     {
  93     // this works on the requirement in the hoomd build scripts that the python module is always
  94     // installed in lib/hoomd/python-module on linux and mac. On windows, it actually ends up in bin/python-module
  95     path exepath = path(getExePath());
  96     list<path> search_paths;
  97     search_paths.push_back(exepath / "python-module");                            // windows
  98     search_paths.push_back(exepath / ".." / "lib" / "hoomd" / "python-module");   // linux/mac
  99     search_paths.push_back(path(HOOMD_SOURCE_DIR) / "python-module");             // from source builds
 100
 101     list<path>::iterator cur_path;
 102     for (cur_path = search_paths.begin(); cur_path != search_paths.end(); ++cur_path)
 103         {
 104         if (exists(*cur_path / "hoomd_script" / "__init__.py"))
 105             return cur_path->native_file_string();
 106         }
 107
 108     cerr << endl
 109          << "***Error! HOOMD python-module directory not found. Check your HOOMD directory structure." << endl;
 110     cerr << "Searched for hoomd_script in:" << endl;
 111     for (cur_path = search_paths.begin(); cur_path != search_paths.end(); ++cur_path)
 112         {
 113         cerr << cur_path->native_file_string() << endl;
 114         }
 115
 116     return "";
 117     }
 118
 119 //! Main function for the executable
 120 /*! \param argc argument count
 121     \param argv arguments
 122     Loads up the hoomd python module and then passes control onto Py_Main
 123 */
 124 int main(int argc, char **argv)
 125     {
 126     if (argc == 1)
 127         {
 128         // This shell is an interactive launch with no arguments
 129         cout << "Launching intractive python shell now.... run \"from hoomd_script import *\" to load the HOOMD-blue python module" << endl << endl;
 130         }
 131
 132     char module_name[] = "hoomd";
 133     PyImport_AppendInittab(module_name, &inithoomd);
 134     Py_Initialize();
 135
 136     // Need to inject the hoomd module path and the plugins dir into sys.path
 137     string python_cmds("import sys\n");
 138     string hoomd_script_dir = find_hoomd_script();
 139     if (hoomd_script_dir != "")
 140         {
 141         python_cmds += string("sys.path.insert(0, r\"") + hoomd_script_dir + string("\")\n");
 142         }
 143
 144     if (getenv("HOOMD_PLUGINS_DIR"))
 145         {
 146         string hoomd_plugins_dir = string(getenv("HOOMD_PLUGINS_DIR"));
 147         python_cmds += string("sys.path.insert(0, r\"") + hoomd_plugins_dir + string("\")\n");
 148         cout << "Notice: Using hoomd plugins in " << hoomd_plugins_dir << endl;
 149         }
 150
 151     PyRun_SimpleString(python_cmds.c_str());
 152
 153     int retval = Py_Main(argc, argv);
 154
 155     // trying to clean up python's messy memory leaks
 156     Py_Finalize();
 157     return retval;
 158     }
 159 #ifdef WIN32
 160 #pragma warning( pop )
 161 #endif
 162