On Tue, Apr 18, 2017 at 7:09 AM, Rick Muller <rpmul...@gmail.com> wrote:
> Hi,
>
> Long time user, first time caller ;-). I'm interested in building avogadro
> under conda, but I haven't found any existing projects under the usual
> channels. Has anyone started anything like this with either avogadro or
> avogadro2? Any suggestions for getting started?
>
Welcome, I have been meaning to get more familiar with Conda, but I am not
aware of any existing work to build either with it. As I understand it
Conda provides Qt, Open Babel, and several other libraries. If they are in
a common prefix you could pass in CMAKE_PREFIX_PATH (or even a list of
them). I could likely help, and wrote a large portion of the build
system/have built it in many places.
>
> One thing I've had a hard time finding in the documentation is a list of
> all of the cmake variables I have to set. Many of these I can find out by
> having ccmake fail, and then playing around with the variables that it asks
> me to set, but others (openbabel??) I haven't been able to find. Does
> anyone have a well-filled in cmake build.sh file, or a pointer to some
> useful documentation on this?
>
> We try to follow the standard CMake patters, keeping the cache variables
as advanced, with reasonable defaults. There isn't a complete list that I
am aware of, the closest would be
https://github.com/OpenChemistry/openchemistry/blob/master/cmake/External_avogadrolibs.cmake
which uses a variable to pass in paths for third party libraries
(dependencies).
> Thanks for a great project!
>
> Thanks, let us know how it goes.
Marcus
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