forked from lijiext/lammps
36 lines
1.9 KiB
Plaintext
36 lines
1.9 KiB
Plaintext
This directory has a Makefile.lammps file with settings that allows
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LAMMPS to dynamically link to the VMD molfile library. This is
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required to use the USER-MOLFILE package and its interface to the dump
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and write_dump commands in a LAMMPS input script.
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More information about the VMD molfile plugins can be found at
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http://www.ks.uiuc.edu/Research/vmd/plugins/molfile.
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NOTE: while the programming interface (API) of the VMD molfile plugins
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is backward compatible (i.e. you can expect to be able to compile this
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package for plugins from newer VMD packages), the binary interface
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(ABI) is not. So it is necessary to compile this package with the
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VMD molfile plugin header files (vmdplugin.h and molfile_plugin.h)
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matching VMD installation that the (binary) plugin files are taken from.
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These header files can be found inside the VMD installation tree under
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"plugins/include". For convenience, this package includes a set of
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header files that is compatible with VMD 1.9.3 (the current version
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in April 2017). You need to adjust the molfile_SYSINC variable in the
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Makefile.lammps file in this directory, in case you want to use VMD
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molfile plugins from a different version. The interface is compatible
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with plugins starting from VMD version 1.8.4.
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In order to be able to dynamically load and execute the plugins from
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inside LAMMPS, you need to link with a system library containing functions
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like dlopen(), dlsym() and so on for dynamic linking of executable code
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into an executable. This library is defined by setting the molfile_SYSLIB
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variable in the Makefile.lammps file in this dir.
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For Linux and most current unix-like operating systems, this can be
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kept at the default setting of "-ldl" (on some platforms this library
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is called "-ldld"). For compilation on Windows, a slightly different
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mechanism is used that is part of the Windows programming environment
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and this kind of library is not needed.
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See the header of Makefile.lammps for more info.
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