<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=us-ascii"> <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="MsoNormal"><span lang="DE-CH" style="font-size:11.0pt;mso-fareast-language:EN-US">Hi Hossein<o:p></o:p></span></p> <p class="MsoNormal"><span lang="DE-CH" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">The pull request for SIRIUS 7.6.0 in CP2K is still work in progress, see </span><span lang="DE-CH" style="font-size:11.0pt;mso-fareast-language:EN-US"><a href="https://github.com/cp2k/cp2k/pull/3651"><span lang="EN-US">https://github.com/cp2k/cp2k/pull/3651</span></a></span><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">It seems that PR shows similar problems.<o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">Best<o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;mso-fareast-language:EN-US">Matthias<o:p></o:p></span></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> <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 Hossein Mirhosseini <mirhoseini@gmail.com><br> <b>Date: </b>Sunday, 1 September 2024 at 13:46<br> <b>To: </b>cp2k <cp2k@googlegroups.com><br> <b>Subject: </b>[CP2K:20647] Compiling CP2K2024.2 with SIRIUS 7.6.0<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Hi,<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">I am trying to compline CP2K2024.2 with the latest version of SIRIUS (7.6.0). To do so, I modified cp2k/tools/toolchain/scripts/stage8/install_sirius.sh<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">and added the following lines:<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">sirius_ver="7.6.0"<br> sirius_sha256="e424206fecb35bb2082b5c87f0865a9536040e984b88b041e6f7d531f8a65b20"<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">SIRIUS 7.6.0 is installed with no issue (the log file is attached). However, when I run make command for "psmp" version, it stopped with some errors ( undefined reference to ...) regarding SIRIUS (the log file is attached).<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">I am wondering if it is possible to compile CP2K with a SIRIUS version other than the "default" version. If so, what I am doing is correct or should I modify some other files as well?<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">Thanks for your support!<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Hossein<o:p></o:p></p> </div> <p class="MsoNormal" style="margin-left:36.0pt">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/a1a017d8-1725-4fff-81df-4107c21bdc2dn%40googlegroups.com?utm_medium=email&utm_source=footer"> https://groups.google.com/d/msgid/cp2k/a1a017d8-1725-4fff-81df-4107c21bdc2dn%40googlegroups.com</a>.<o:p></o:p></p> </div> </div> </div> </div> </body> </html> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br /> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827B4CA4CCCE1FFF1BD2B21F4932%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827B4CA4CCCE1FFF1BD2B21F4932%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM</a>.<br />