Hi Geoff,

Here is an example of how we built avogadrolibs using the core-only part in
mongochemserver:

https://github.com/OpenChemistry/mongochemserver/blob/master/devops/docker/Dockerfile.circleci#L28

I think you need to add one more cmake option, though: -DUSE_MMTF=OFF

Patrick

On Sun, Sep 16, 2018 at 3:33 PM, Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:

> Hi Marcus,
>
> I'm working along on the force field code - and wondering if there's
> documentation on building the "core" parts of avogadrolibs.
>
> I have the sense that you do something like this for the Python interfaces
> - that you build everything except the Qt GUI? This seems like it would be
> a nice approach for the force field calculations - to enable people to use
> a "headless" non-GUI tool to run geometry optimizations in addition to the
> GUI. Also, it would give some ability for the Python notebooks to run force
> field minimizations.
>
> How do you set up a build for "core-only"? Or put another way, how do you
> build the Python components and maybe I can extrapolate that to core +
> forcefield.
>
> Thanks,
> -Geoff
>
> _______________________________________________
> Avogadro-devel mailing list
> Avogadro-devel@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/avogadro-devel
>
_______________________________________________
Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel

Reply via email to