<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"> <head> <meta http-equiv="Content-Type" content="text/html; charset=utf-8"> <meta name="Generator" content="Microsoft Word 15 (filtered medium)"> <style></style> </head> <body lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div class="WordSection1"> <p class="p1"><span lang="EN-US" style="font-size:11.0pt;font-family:"Aptos",sans-serif;mso-fareast-language:EN-US">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 “</span><span class="s1">gcc (Homebrew GCC 13.2.0) 13.2.0” </span><span lang="EN-US" style="font-size:11.0pt;font-family:"Aptos",sans-serif;mso-fareast-language:EN-US">and not something like</span><span class="s1"><span lang="EN-US"> </span>“Apple clang version 15.0.0 (clang-1500.3.9.4).</span><o:p></o:p></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p> <div id="mail-editor-reference-message-container"> <div> <div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:12.0pt;margin-left:36.0pt"> <b><span style="color:black">From: </span></b><span style="color:black">cp2k@googlegroups.com <cp2k@googlegroups.com> on behalf of Rashid Riboul <sastargetx@gmail.com><br> <b>Date: </b>Sunday, 24 March 2024 at 00:22<br> <b>To: </b>cp2k@googlegroups.com <cp2k@googlegroups.com><br> <b>Subject: </b>Re: [CP2K:20065] Re: Installation on M1 Mac<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">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?<o:p></o:p></p> </div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> <div> <div> <p class="MsoNormal" style="margin-left:36.0pt">On Sat, Mar 23, 2024, 4:00 PM ADAMU IDRIS <<a href="mailto:adamumatinja@gmail.com">adamumatinja@gmail.com</a>> wrote:<o:p></o:p></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> <p class="MsoNormal" style="margin-left:36.0pt">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..<o:p></o:p></p> <div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">You can also try and make the installation step by step <o:p></o:p></p> </div> </div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> <div> <div> <p class="MsoNormal" style="margin-left:36.0pt">On Sun, 24 Mar 2024, 3:02 am Rashid Riboul, <<a href="mailto:sastargetx@gmail.com" target="_blank">sastargetx@gmail.com</a>> wrote:<o:p></o:p></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> <p class="MsoNormal" style="margin-left:36.0pt">Yes; I had them installed when I installed Homebrew.<o:p></o:p></p> </div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> <div> <div> <p class="MsoNormal" style="margin-left:36.0pt">On Sat, Mar 23, 2024, 11:48 AM Krack Matthias <<a href="mailto:matthias.krack@psi.ch" target="_blank">matthias.krack@psi.ch</a>> wrote:<o:p></o:p></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-GB">The openmpi build fails obviously. Do you have the Xcode command line tools installed?</span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-GB"> </span><span lang="DE"><o:p></o:p></span></p> <div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <b><span lang="DE">Von:</span></b><span lang="DE"> <a href="mailto:cp2k@googlegroups.com" target="_blank"> cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> <b>Im Auftrag von </b>Rashid Riboul<br> <b>Gesendet:</b> Samstag, 23. März 2024 19:26<br> <b>An:</b> <a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a><br> <b>Betreff:</b> Re: [CP2K:20061] Re: Installation on M1 Mac<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="DE"> <o:p></o:p></span></p> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="DE">Attached are the outputs of the sourced arch file and the error after the make command.<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="DE"> <o:p></o:p></span></p> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="DE">On Sat, Mar 23, 2024, 10:39 AM Krack Matthias <<a href="mailto:matthias.krack@psi.ch" target="_blank">matthias.krack@psi.ch</a>> wrote:<o:p></o:p></span></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB">Hi</span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB"> </span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB">Without further information, it is difficult to provide any hints.</span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB"> </span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB">Did you try already to install cp2k via the “easy way” just by “brew install cp2k”?</span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB"> </span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB">Best</span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB"> </span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB">Matthias</span><span lang="DE"><o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:71.4pt"> <span lang="EN-GB"> </span><span lang="DE"><o:p></o:p></span></p> <div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <b><span lang="DE">Von:</span></b><span lang="DE"> <a href="mailto:cp2k@googlegroups.com" target="_blank"> cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> <b>Im Auftrag von </b>Rashid Riboul<br> <b>Gesendet:</b> Samstag, 23. März 2024 17:33<br> <b>An:</b> cp2k <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>><br> <b>Betreff:</b> [CP2K:20060] Re: Installation on M1 Mac<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE"> <o:p></o:p></span></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;margin-bottom:12.0pt;margin-left:106.8pt"> <span lang="DE">I'm having issues attaching the messages for the sourcing and the error at the moment as well.<o:p></o:p></span></p> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE">On Saturday, March 23, 2024 at 2:41:00</span><span lang="DE" style="font-family:"Arial",sans-serif"> </span><span lang="DE">AM UTC-7 Rashid Riboul wrote:<o:p></o:p></span></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE">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.<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE">Can anyone help me figure out what I'm missing?<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE"> <o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE"> <o:p></o:p></span></p> </div> </blockquote> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:106.8pt"> <span lang="DE">-- <br> You received this message 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