博文
Compile VMD-1.9.1 from source code
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As the most widely used MD analysis tool, VMD is distributed the pre-compiled version for almost all kinds of platform. However, if we would like to use advanced module of VMD such as running python script or render scene with alternative engine, the pre-compiled versions are most likely to fail for those purposes.
In this regard, compile VMD from source code would be necessary for some users. Here are some some steps for how to compile it under SUSE Linux Enterprise Desktop 11 SP2 OS.
python2.6.8 (system lib)
fltk (system lib)
actc
tcl/tk 8.5
libsball
points
raster3d
stride
surf
tachyon
cuda-4.2
1. compile tcl/tk 8.5 and setup proper envrionment:
setenv TCLINC -I/soft/vmd-1.9.1.src/tcl-8.5/include
setenv TCLLIB -F/soft/vmd-1.9.1.src/tcl-8.5/lib
2. compile plugin
untar the source code into somewhere you like :
/soft/vmd-1.9.1.src
cd /soft/vmd-1.9.1.src/plugins
make LINUXAMD64
make ARCH=LINUXAMD64 PLUGINDIR=/soft/vmd-1.9.1.src/vmd-1.9.1/plugins distrib
3. compile VMD main code
cd /soft/vmd-1.9.1.src/vmd-1.9.1/
edit /soft/vmd-1.9.1.src/vmd-1.9.1/configure file, and setup proper environment for all possible plugin such as: python, tcl/tk, tachyon, libsball, stride, cuda and so on.
./configure LINUXAMD64 OPENGL FLTK TK CUDA IMD LIBSBALL XINERAMA XINPUT LIBTACHY
ON VRPN NETCDF TCL PYTHON PTHREADS NUMPY SILENT
cd src
make veryclean
make
if it goes well, you should see
" No resource compiler required on this platform."
make install
you should see
"Make sure /soft/vmd-1.9.1/bin/vmd is in your path.
VMD installation complete. Enjoy!"
now you can enjoy your VMD now with command:
/soft/vmd-1.9.1/bin/vmd
be sure that there is no any complain for missing modules n the terminal.
good luck.
https://blog.sciencenet.cn/blog-355217-657665.html
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