Installation on M1 Mac

[Rashid Riboul]

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?

[Rashid Riboul]

I'm having issues attaching the messages for the sourcing and the error at the moment as well.

[Krack Matthias]

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

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[Rashid Riboul]

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

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[Krack Matthias]

The openmpi build fails obviously. Do you have the Xcode command line tools installed?

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[Rashid Riboul]

Yes; I had them installed when I installed Homebrew.

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[ADAMU IDRIS]

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 

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[Rashid Riboul]

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?

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[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).

 

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[Rashid Riboul]

Yeah; both gcc and g++ references the GNU versions.

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