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molovol / MoloVol

MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit cells.
https://molovol.com
MIT License
22 stars 4 forks source link

CLI/headless build #108

Closed BSVogler closed 2 years ago

BSVogler commented 2 years ago

It would be cool to have a build without the GUI to operate the application only the command line. This would allow easy extension in other systems e.g. to run the service as a web service over a REST api.

jmaglic commented 2 years ago

The command line interface is already a feature. Check out the wiki article or the user manual section 2.3.

BSVogler commented 2 years ago

That is great! The build is still not "headless" as it requires the GUI library to be installed. Typically you would have a configure script before compiling to allow configuration without the GUI lib.

jmaglic commented 2 years ago

I see what you mean. I'm not sure how to implement this and whether this would be beneficial to any users. As far as I understand a headless build would need to be distributed as a separate binary? In that case I'd rather leave it as is, as to keep it simple.

I'll keep this issue closed for now but if we receive more requests for this feature then I'll reconsider it.

BSVogler commented 2 years ago

You don't need to offer a binary. It would generally make it easier to compile the source and needing a dependency less. E.g. when running unittests to verify the computation you do not need the GUI.