VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Mar 05 2021 - 11:46:59 CST

Hi René, those should be enough. I just tested that the patches do work
with the latest CVS snapshots of the VMD and plugins repositories, both of
which you can download at:
https://www.ks.uiuc.edu/Research/vmd/doxygen/cvsget.html
(In the process, I also updated the patch files to track the latest
snapshots, thus silencing warnings about the offsets having changed).

When everything goes correctly you should see the following line printed
when you first initialize Colvars (either from the command line or the
Dashboard):
colvars: This version was built with the C++11 standard or higher.
There isn't a similar message for Lepton (other than a customFunction
variable just working), but I presume that you applied both patches in the
same way.

As for the Dashboard, I strongly recommend updating its version either
before or after compilation (it is only Tcl/Tk code so it doesn't
need compilation). The version of the Dashboard that the VMD repository
currently contains is buggy.

Can you do the following?
1) Specify what error message you got telling you that Lepton isn't enabled.
2) Check that you can successfully build VMD and plugins without any
patches; if anything went wrong there, the VMD team may also help.

Giacomo

On Thu, Mar 4, 2021 at 3:36 PM René Hafner TUK <hamburge_at_physik.uni-kl.de>
wrote:

> Dear VMD developers,
>
>
> I would like to able to have my colvar files using "customFunction" being
> parsed by VMD colvars cv_dashboard.
>
>
> I succesfully compiled VMD 1.9.4. alpha51 using the provided
>
> + source code on the website
> + plugins
>
> + lepton files from
> https://urldefense.com/v3/__https://github.com/openmm/openmm/tree/master/libraries/lepton__;!!DZ3fjg!uhj-FhUZCdtg0ZpZ88q8-ROaF7PFmnJOzqc2wqJ837YXSTEuwEQMe_oFrxWLz4oF-w$
> <https://urldefense.com/v3/__https://github.com/openmm/openmm/tree/master/libraries/lepton__;!!DZ3fjg!qZVLzfQlbkaM4vcGDznkmngKT53QGhjghQ5MwpFCsMyhvXSok4eQTirXp7zbwVFieg$>
>
> +patches for c++11 and lepton from
> https://urldefense.com/v3/__https://github.com/giacomofiorin/vmd-patches__;!!DZ3fjg!uhj-FhUZCdtg0ZpZ88q8-ROaF7PFmnJOzqc2wqJ837YXSTEuwEQMe_oFrxXNRx1j1g$
> <https://urldefense.com/v3/__https://github.com/giacomofiorin/vmd-patches__;!!DZ3fjg!qZVLzfQlbkaM4vcGDznkmngKT53QGhjghQ5MwpFCsMyhvXSok4eQTirXp7wypfAkUg$>
>
>
>
> As far as I understood only lepton support (which requires C++11 for VMD,
> therefore the patches) was missing to support this feature.
>
>
> What am I missing here?
>
>
> Kind regards
>
> René
>
> --
> --
> Dipl.-Phys. René Hafner
> TU Kaiserslautern
> Germany
>
>