[CP2K-user] [CP2K:20066] Re: Installation on M1 Mac

[Krack Matthias]

Note, that the CP2K toolchain build (from scratch) on macOS as described in the how-to relies on the gcc and not the clang compiler version. Make sure that “gcc --version” returns “gcc (Homebrew GCC 13.2.0) 13.2.0” and not something like “Apple clang version 15.0.0 (clang-1500.3.9.4).

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Rashid Riboul <sastargetx at gmail.com>
Date: Sunday, 24 March 2024 at 00:22
To: cp2k at googlegroups.com <cp2k at googlegroups.com>
Subject: Re: [CP2K:20065] Re: Installation on M1 Mac
I'm trying to build this for GROMACS (which I'm also having issues in compiling lol). Would installing via Homebrew still generate the library file needed for GROMACS?

On Sat, Mar 23, 2024, 4:00 PM ADAMU IDRIS <adamumatinja at gmail.com<mailto:adamumatinja at gmail.com>> wrote:
It is very difficult to compile cp2k in M1, I spend 2 years without achieving it.. However, you can simply install it with brew cp2k command..

You can also try and make the installation step by step

On Sun, 24 Mar 2024, 3:02 am Rashid Riboul, <sastargetx at gmail.com<mailto:sastargetx at gmail.com>> wrote:
Yes; I had them installed when I installed Homebrew.

On Sat, Mar 23, 2024, 11:48 AM Krack Matthias <matthias.krack at psi.ch<mailto:matthias.krack at psi.ch>> wrote:
The openmpi build fails obviously. Do you have the Xcode command line tools installed?

Von: cp2k at googlegroups.com<mailto:cp2k at googlegroups.com> <cp2k at googlegroups.com<mailto:cp2k at googlegroups.com>> Im Auftrag von Rashid Riboul
Gesendet: Samstag, 23. März 2024 19:26
An: cp2k at googlegroups.com<mailto:cp2k at googlegroups.com>
Betreff: Re: [CP2K:20061] Re: Installation on M1 Mac

Attached are the outputs of the sourced arch file and the error after the make command.

On Sat, Mar 23, 2024, 10:39 AM Krack Matthias <matthias.krack at psi.ch<mailto:matthias.krack at psi.ch>> wrote:
Hi

Without further information, it is difficult to provide any hints.

Did you try already to install cp2k via the “easy way” just by “brew install cp2k”?

Best

Matthias

Von: cp2k at googlegroups.com<mailto:cp2k at googlegroups.com> <cp2k at googlegroups.com<mailto:cp2k at googlegroups.com>> Im Auftrag von Rashid Riboul
Gesendet: Samstag, 23. März 2024 17:33
An: cp2k <cp2k at googlegroups.com<mailto:cp2k at googlegroups.com>>
Betreff: [CP2K:20060] Re: Installation on M1 Mac

I'm having issues attaching the messages for the sourcing and the error at the moment as well.
On Saturday, March 23, 2024 at 2:41:00 AM UTC-7 Rashid Riboul wrote:
Hi, I've been having issues installing CP2K on my Macbook, even after following the How-To guide, and I don't know what I'm doing incorrect. I sourced the arch file, and nothing appeared to be erroneous and I followed the instructions to make the file, but I got an error.

Can anyone help me figure out what I'm missing?


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