[CP2K-user] [CP2K:20691] Re: Installation on M1 Mac

[Yu Huajie]

you need to follow the howto guide step by step in case you "cannot find 
the mpiexec". Next, run the "gcc --version","g++ --version",  "gfortran 
--version" and "mpiexec --version" and "which mpiexec" to check the if the 
"(homebrew XXX 14.2.0)",and the route is 
"~cp2k/tools/toolchain/install/openmpi-5.0.5/bin/mpiexec". Finally, change 
the barshrc and source it. 
On Monday 25 March 2024 at 00:17:28 UTC+8 Rashid Riboul wrote:

> Yeah; both gcc and g++ references the GNU versions.
>
> On Sun, Mar 24, 2024, 2:56 AM Krack Matthias <matthia... at psi.ch> wrote:
>
>> 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: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
>> Rashid Riboul <sasta... at gmail.com>
>> *Date: *Sunday, 24 March 2024 at 00:22
>> *To: *cp... at googlegroups.com <cp... 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 <adamum... 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, <sasta... at gmail.com> wrote:
>>
>> Yes; I had them installed when I installed Homebrew.
>>
>>  
>>
>> On Sat, Mar 23, 2024, 11:48 AM Krack Matthias <matthia... at psi.ch> wrote:
>>
>> The openmpi build fails obviously. Do you have the Xcode command line 
>> tools installed?
>>
>>  
>>
>> *Von:* cp... at googlegroups.com <cp... at googlegroups.com> *Im Auftrag von *Rashid 
>> Riboul
>> *Gesendet:* Samstag, 23. März 2024 19:26
>> *An:* cp... 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 <matthia... 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:* cp... at googlegroups.com <cp... at googlegroups.com> *Im Auftrag von *Rashid 
>> Riboul
>> *Gesendet:* Samstag, 23. März 2024 17:33
>> *An:* cp2k <cp... 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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