<div dir="ltr"><div>Dear Ole:</div><div>good evening.</div><div><br></div><div>Thank you. <br></div><div>The update is mesmerizing - RAMAN is possible... WOW !<br></div><div><br></div><div></div><div>I have compiled the update under CYGWIN without any problem.</div><div>Everything went perfect!<br></div><div></div><div><br></div><div>There are two minor issues which I am observing since version 7.1.</div><div><br></div><div>Apparently, <br></div><div>regardless CP2K reports that FFTW3 is well-installed and correctly linked (upon the compilation),</div><div>still, CP2K cannot operate with the package.</div><div>This is not critical because the package switches for FFTSG to ammend.<br></div><div><br></div><div>Additionally, <br></div><div>regardless CP2K reports that LIBINIT is alright and properly linked (no complains upon the compilation),<div>still, the package cannot adopt the certified library - a simple test job fails.<br></div><div></div><div><br></div><div>I attach the ARCH file <br></div><div>and <br></div><div>the fail-test to compute a single water molecule.</div><div><br></div><div></div><div>Would you and your colleagues comment - I be very thankful.</div><div><br></div><div>Regardless, these minor technical issues,</div><div>the 2023.1 <br></div><div>and the guide to install<br></div><div>are fantastic !!!</div><div><br></div><div>I wish you and the team happy New Year.</div><div>:-)<br></div><div>Sincerely,</div><div>Victor </div></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Jan 1, 2023 at 4:48 PM Ole Schütt <<a href="mailto:ole.schuett@cp2k.org">ole.schuett@cp2k.org</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear CP2K users,<br><br>we are pleased to announce the release of the CP2K version 2023.1.<br><br>The CP2K source tarball can be downloaded from:<br><br> <a href="https://github.com/cp2k/cp2k/releases/tag/v2023.1" target="_blank">https://github.com/cp2k/cp2k/releases/tag/v2023.1</a><br><div><br></div><div>A container image is available on Docker Hub:</div><div><br></div><div> <a href="https://hub.docker.com/r/cp2k/cp2k/tags" target="_blank">https://hub.docker.com/r/cp2k/cp2k/tags</a></div><div><br></div><div>Pre-compiled binaries are still in the making and will be uploaded soon.<br></div><div></div><div><br></div><div>Further information about Git access and Linux distros can be found at:</div><br> <a href="https://www.cp2k.org/download" target="_blank">https://www.cp2k.org/download</a><br><br>The corresponding input description can be browsed at:<br><br> <a href="https://manual.cp2k.org/cp2k-2023_1-branch/index.html" target="_blank">https://manual.cp2k.org/cp2k-2023_1-branch/index.html</a><br><br>For a list of major changes with respect to the previous CP2K version see:<br><br> <a href="http://www.cp2k.org/version_history" target="_blank">http://www.cp2k.org/version_history</a><br><br>We invite you to report any issue here on this list. In case of a confirmed bug please file it at:<br><br> <a href="https://github.com/cp2k/cp2k/issues" target="_blank">https://github.com/cp2k/cp2k/issues</a><br><br>The CP2K web page is extended and improved continuously. It includes many tutorials (e.g. how-to compile CP2K) and an FAQ page:<br><br> <a href="https://www.cp2k.org/howto" target="_blank">https://www.cp2k.org/howto</a><br> <a href="https://www.cp2k.org/faq" target="_blank">https://www.cp2k.org/faq</a><br><br>Developers and users interested in contributing to CP2K may find further information at:<br><br> <a href="https://www.cp2k.org/dev" target="_blank">https://www.cp2k.org/dev</a><br><br>We hope that you will enjoy this new release and wish you a Happy New Year!<br><br>The CP2K developers team<br>
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