[AMBER] FW: Conda installation of Ambertools23 does not [appear to] include 'OMP' programs

From: Murray, Makay via AMBER <amber.ambermd.org>
Date: Wed, 10 Jan 2024 20:15:23 +0000

Hi all,

This could be ignorance on my part or a feature request.
Context: This is related to a local desktop install of AmberTools23 using either an Ubuntu VM or WSL (windows subsystem for linux).
My issue: When installing AmberTools23 via conda-forge, (https://anaconda.org/conda-forge/ambertools) it appears to not come with any ‘OMP’ (local multithreaded) enabled/compiled binaries.
(cpptraj is present but cpptraj.OMP is not.)

Q1: Are there multi-threaded programs installed with the conda-forge version of AmberTools23 that I’m just not finding?
Q2: If there are indeed no OMP versions distributed with the conda-forge install, where can I make a feature request to add those binaries to future conda distributions?

Note: I am aware that I can compile from source. However, I find that rather convoluted, slow and error prone compared to the conda-forge method.

Thank you all in advance,
-Makay
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Received on Wed Jan 10 2024 - 12:30:03 PST
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