compilation on MacOS Sonoma with Intel CPU and GPU

ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators

https://ccsb.scripps.edu/autodock

GNU General Public License v2.0

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compilation on MacOS Sonoma with Intel CPU and GPU #247

Closed lassancejm closed 7 months ago

lassancejm commented 7 months ago

Hi, I would like to compile AutoDock-GPU on a laptop which runs MacOS Sonoma (14.0) and is equipped with a 2.3 GHz Quad-Core Intel Core i7 CPU and an Intel GPU (Intel Iris Plus Graphics 1536 MB). As OpenCL is deprecated, I am a bit lost regarding the compilation steps. Thanks for your insights!

atillack commented 7 months ago

@lassancejm I just upgraded to Sonoma here to test and fortunately OpenCL is still working. After installing the X Code command line tools, I used Homebrew to install a newer version of LLVM (brew install llvm) which supports OpenMP but you should be good with running make DEVICE=GPU NUMWI=128.

lassancejm commented 7 months ago

Thanks a lot for looking into this @atillack ! Compilation and test run completed fine with your instructions.