Hello,
I have been attempting to build OpenMM 6.1 from source. Everything appears to build fine and the tests run/pass. However, the build does not seem to generate the C/Fortran wrappers for the plugins except for the amoeba plugin (I want the RPMD one). I have set the OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS to ON within cmake and the main wrappers get built but I don't see the wrappers for the plugins other than the amoeba in my install path.
I'm wondering if there is a way that I can build these wrappers for the plugins.
Thank you!
Kevin
Build C/Fortran Wrappers for plugins
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Peter Eastman
- Posts: 2611
- Joined: Thu Aug 09, 2007 1:25 pm
Re: Build C/Fortran Wrappers for plugins
Hi Kevin,
That's correct: most of the plugins don't include C and Fortran wrappers. It would be a useful thing to add. In the mean time, if you want to access those plugins you'll have to do it from C++ code. You can still write most of your code in C or Fortran, but anything that interacts with the plugins will have to be separated out into a C++ file. That's essentially what the existing wrapper do, just in an automated way.
Peter
That's correct: most of the plugins don't include C and Fortran wrappers. It would be a useful thing to add. In the mean time, if you want to access those plugins you'll have to do it from C++ code. You can still write most of your code in C or Fortran, but anything that interacts with the plugins will have to be separated out into a C++ file. That's essentially what the existing wrapper do, just in an automated way.
Peter
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Kevin Bishop
- Posts: 11
- Joined: Sat Nov 03, 2012 8:10 pm
Re: Build C/Fortran Wrappers for plugins
Thanks Peter!
I ended up duplicating the way that the amoeba plugin generated them and got usable wrappers after some tweaking.
I had been using the wrappers from an earlier version of OpenMM, I think 4, where the wrappers were made for rpmd and didn't want to have to change my code too much.
Kevin
I ended up duplicating the way that the amoeba plugin generated them and got usable wrappers after some tweaking.
I had been using the wrappers from an earlier version of OpenMM, I think 4, where the wrappers were made for rpmd and didn't want to have to change my code too much.
Kevin