Hi everyone,

here is the CmDock source code repository: https://gitlab.com/Jukic/cmdock.
This is the main application that we use in the project. Now you can try and build it for your own platforms!

We have many plans and invite C++ devs, especially ones with CUDA and parallel computing knowledge to join our project.
If you would like to join, please contact Marko: jukic (dot) marko (at) gmail (dot) com.

With best wishes,
Natalia

Hi everyone,
here is the CmDock source code repository: https://gitlab.com/Jukic/cmdock.
This is the main application that we use in the project. Now you can try and build it for your own platforms!

Great!!!!

We have many plans and invite C++ devs, especially ones with CUDA and parallel computing knowledge to join our project.

Why not OpenCl??

OpenCL is a great idea! If you know it and want to help with it, please contact us!

A brief summary of C++ in 2020

How can I install the new client without much effort? and is it doing better with the GPU than BOINC?

GPU version of CMDOCK is currently not available. We will start to work on GPU version very soon ;-)

If you have experience on GPU programming and you would like to contribute to the project just drop

an email to jukic dot marko @ gmail dot com

Ok, well, thanks for the great work

I intend to compile cmdock for AVX-512 provided that I can teach myself how to do it. Do you recommend a good site for learning to compile for Ubuntu???

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Following these instructions https://gitlab.com/Jukic/cmdock/-/blob/master/INSTALL.md
Since this tyro is compiling for the first time this century I'll have lots of naive questions.
1. meson setup <builddir>
My first guess where is: /usr/local/src
2. CC=clang CXX=clang++ meson ... on Linux
It seems odd to specify two languages to compile in. Should I pick just one and which one? E.g., CXX=clang++ meson
3. meson setup <builddir> --buildtype <debug|debugoptimized|release> --prefix </absolute/install/path/>
No guidance given as to which --prefix option to use. This also begs the question from Environment Variables export CMDOCK_ROOT=/path/to/cmdock is --prefix = /path/to/cmdock ???

Looking ahead to the ultimate objective I will have created a program called e.g. cmdock_AVX512.
Do I just replace cmdock-wrapper_1.1_x86_64-pc-linux-gnu with cmdock_AVX-512???
Will the contents of cmdock-boinc_job_1.1_x86_64-pc-linux-gnu.xml need to be altered???

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I started trying to compile this. It seems to have non-free dependencies on software from daylight.com. Is this correct?

Hello! We are not aware of such a dependency (could you please point out the file in question?)

Upd.: is it https://gitlab.com/Jukic/cmdock/-/blob/master/meson.build#L158?

This is an optional reference to the modules that can work with SMILES strings.

P.S.: CmDock is a fork of an open-source project which had no non-free dependencies declared. We ourselves did not add anything non-free and will keep the project free always.