Provides a VMD molfile plugin reader for GSD files generated by HOOMD-blue. In order to compile the plugin, you will first need a working installation of VMD. Then, installation can be as simple as
cd /path/to/gsd-vmd
cmake -S . -B build -DCMAKE_BUILD_TYPE=Release
cd build
cmake --build .
cmake --install .On Linux, gsd-vmd should automatically detect the location of your VMD
installation, provided that it is on your path. On macOS, the VMD installation
can be trickier to find. You can specify the location of your VMD plugin
directory by setting VMDDIR either as an environment variable or as a
build-time definition. VMDDIR should point to the parent directory that
contains the plugin directory, rather than to the plugin directory itself.
Failing this, you can also force the values of your plugin installation
directory and plugin include directory with the VMD_PLUGIN_INCLUDE_PATH and
VMD_PLUGIN_MOLFILE_PATH. These directories are the location of your plugin
headers (e.g., molfile_plugin.h) and system-specific molfile libraries,
respectively.
By default, gsd-vmd will be installed into VMD_PLUGIN_MOLFILE_PATH. You can
specify an alternative installation location; however, you must ensure that this
is added to your VMD search path, which is a tricky endeavour and not
recommended. To uninstall the library, simply remove gsdplugin.so from the
installation location.
To test your build (on Linux), run
make testout of your build directory. If you have valgrind installed, a memcheck
will also be run to detect memory leaks. You can also try running an example
visualization from the examples directory
cd examples/ethanol
vmd -e ethanol.tcl- A compiler supporting basic C99 standard (tested gcc)
- CMake >= 3.10
- valgrind (optional, for testing only)
GSD: The GSD library (https://github.com/glotzerlab/gsd) is used for file reading under the following license:
Copyright (c) 2016-2025 The Regents of the University of Michigan
All rights reserved.
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
Catch: The Catch framework is used for unit test validation under the Boost Software License (version 1.0).