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merzlab / QUICK

QUICK: A GPU-enabled ab intio quantum chemistry software package
Mozilla Public License 2.0
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Release QUICK binaries for serial, MPI and CUDA #211

Open tobigithub opened 3 years ago

tobigithub commented 3 years ago

Hi, i tried to run QUICK, but there are no binaries for MPI, serial or CUDA. Most quantum chemical packages release binaries to allow researchers to actually use the program. Many of the larger packages release 5-10 binaries, others just one, that can handle all the architectures. I myself actually do not want to compile QUICK, but rather use it.

So I wonder if there are any plans to release QUICK binaries for LINUX. I agree there are many configurations possible, but it should be possible to have some backwards compatibility and working binaries. Unless that is not wanted. Thank you

Madu86 commented 3 years ago

Thanks bringing this up. We haven't had any discussions about releasing binaries. Perhaps we can do so in the next release. @agoetz What do you think?