Hi,
I’d like to build pyrosetta with the intel compiler and potentially link against the Intel MKL for use on HPC infrastructure. I saw in the rosetta docs, that rosetta can already be used with the intel compiler on TACC resources:
https://www.rosettacommons.org/docs/latest/build_documentation/TACC
I was hoping to make the same workout for our cluster with gcc8+ and Intel Parallel Studio XE 2019u1. I gave the pyrosetta build script a first shot, but it wouldn’t pick up icc or icpc. Are there any resources available to help me accomplish this?
For reference:
– OS: CentOS 7.4.1708 x86_64
– Python version: 3.6.5
– rosetta: I tried with the rosetta_src_2018.33.60351_bundle
Thank you!
Peter
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