GridMD is the C++ class library intended to help developers to quickly build molecular dynamics or Monte-Carlo simulation programs and to run them in the distributed environment.
GridMD library is free software. The full licence is available in the file /gridmd/doc/gridmd_license.txt
Home project web page: http://gridmd.sourceforge.net/
/-gridmd Main directory for the library source files
|-doc Documentation and licences
|-gridmd_license.txt GridMD library license
|-wx_license.txt Supplementary wxWindows library licence
|-jobmngr_en.pdf Manual for the Job Manager component
|-html Documentation for the entire GridMD library
|-include Main GridMD include files
|-src Main GridMD source files
|-cmake CMake related files
|-Modules CMake modules
|-ivutils
|-include Additional utility include files
|-src Additional utility source files
|-examples Sample GridMD applications
|-pbs_job_manager Examples for the PBS Job Manager
|-simple_workflow Examples for the workflow scenarios
|-wxint Headers (interface) to use wxWidgets library
| Option | Type | Meaning | Default |
|---|---|---|---|
USE_LIBSSH |
bool | Use libssh | ✔️ |
USE_LIBSSH2 |
bool | Use libssh2 | ✖️ |
WITH_XML |
bool | Enable XML support via libxml2 | ✔️ |
USE_WXWIDGETS |
bool | Enable WxWidgets implementation. If not set, fall back to compiled Boost | ✖️ |
BUILD_SHARED |
bool | Build as shared library | ✔️ |
BUILD_EXAMPLES |
bool | Build examples from examples directory |
✔️ |
BOOST_ROOT |
directory | Boost root | Empty |
BOOST_LIBRARYDIR |
directory | Directory with built Boost libraries (if wxWidgets is disabled) | Empty |
wxWidgets_LIB_DIR |
directory | Directory with built WxWidgets base library | Empty |
wxWidgets_ROOT_DIR |
directory | WxWidgets root | Empty |
SSH_LIBRARY |
file | Path to libssh library | Empty |
LIBSSH_INCLUDE_DIR |
directory | Path to libssh includes | Empty |
LIBSSH2_LIBRARY |
file | Path to libssh2 library | Empty |
LIBSSH2_INCLUDE_DIR |
directory | Path to libssh2 includes | Empty |
LIBXML2_INCLUDE_DIR |
directory | Path to libxml ibcludes | Empty |
LIBXML2_LIBRARIES |
file | Path to libxml2 library (file) | Empty |
ICONV_INCLUDE_DIR |
directory | Path to iconv includes | Empty |
ICONV_LIBRARIES |
file | Path to iconv library | Empty |
If you are on UNIX, CMake should find the libraries in system paths. Otherwise you might set them appropriately.
