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<p class="MsoNormal"><span style="font-size:12.0pt">The update and install functions did do some work, but ultimately they did not fix the same problem error message upon running the pwgui command. In your other email you indicated how to deactivate conda,
this is what allows pwgui to run!<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt">Thank you very much for all your help!<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:#F3F3F3"><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:black">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:black">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#942097">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#942097">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#001C8C">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">/)~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#B31200">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#B31200">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~~</span></b><o:p></o:p></p>
<p class="MsoNormal" style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Steve Lustig, PhD, FRSC, NAI (he/him/his)</span><o:p></o:p></p>
<p class="MsoNormal" style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Associate Professor</span><o:p></o:p></p>
<p class="MsoNormal" style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Department of Chemical Engineering</span><o:p></o:p></p>
<p class="MsoNormal" style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Northeastern University</span><o:p></o:p></p>
<p class="MsoNormal" style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:black"><a href="https://coe.northeastern.edu/people/lustig-steve" title="https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcoe.northeastern.edu%2Fpeople%2Flustig-steve&data=05%7C02%7Cs.lustig%40northeastern.edu%7C1bba3b01c6484c72ca5e08dd560d8219%7Ca8eec281aaa34daeac9b9a398b9215e7%7C0%7C0%7C638761338210758367%7C"><span style="color:#0563C1">https://coe.northeastern.edu/people/lustig-steve</span></a></span><o:p></o:p></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">Pietro Davide Delugas <pdelugas@sissa.it><br>
<b>Date: </b>Thursday, June 19, 2025 at 2:46</span><span style="font-size:12.0pt;font-family:"Arial",sans-serif;color:black"> </span><span style="font-size:12.0pt;color:black">AM<br>
<b>To: </b>Lustig, Steve <s.lustig@northeastern.edu>, users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject: </b>Re: Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black">From the error message, it appears that the various directories of the qe package have been relocated according to some Conda logic, which is why the Makefile iCs not working. But the lines that
fail are those using relative path, the line that updates the link to the library uses (maybe by mistake) an absolute path so it should have been executed. Could you give a try and rerun the pwgui command ? <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black">In case it still doesn't work, check the error message to see if it complains because it can't find some libraries: itk or Iwidgets, try to install them:<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black"> sudo apt update; sudo apt install itk3 iwidgets4 . <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black">Retry running pwgui. Pay attention that conda many times hides the paths to libraries; so if it still doesn't work and you have a conda environment active. Deactivate it and rerun the command. <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black">I hope that it eventually works <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black">greetings <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt;color:black">Pietro <o:p></o:p></span></p>
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<p class="MsoNormal"><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black"> Lustig, Steve <s.lustig@northeastern.edu><br>
<b>Sent:</b> Wednesday, June 18, 2025 19:10<br>
<b>To:</b> Pietro Davide Delugas <pdelugas@sissa.it>; users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:12.0pt"> <o:p></o:p></span></p>
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<p class="elementtoproof">Pietro, thank you for your suggestion. The make init command executed in the GUI/PWgui directory failed and created a long list of error messages. The first set of error messages are related to trying to find …/Doc/… files. Here is
a screenshot of the last error messages<o:p></o:p></p>
<p><span style="font-size:12.0pt"><img border="0" width="718" height="173" style="width:7.4791in;height:1.802in" id="x_Picture_x0020_1" src="cid:image001.png@01DBE052.47C27CF0"></span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p><span style="font-size:12.0pt"> <o:p></o:p></span></p>
<p><span style="font-size:12.0pt"> <o:p></o:p></span></p>
<p style="background:#F3F3F3"><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:black">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:black">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#942097">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#942097">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#001C8C">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">/)~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#B31200">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#B31200">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~~</span></b><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Steve Lustig, PhD, FRSC, NAI (he/him/his)</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Associate Professor</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Department of Chemical Engineering</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Northeastern University</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p style="background:#F3F3F3"><u><span style="font-size:10.5pt;font-family:Helvetica;color:#0563C1"><a href="https://coe.northeastern.edu/people/lustig-steve" title="https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcoe.northeastern.edu%2Fpeople%2Flustig-steve&data=05%7C02%7Cs.lustig%40northeastern.edu%7C1bba3b01c6484c72ca5e08dd560d8219%7Ca8eec281aaa34daeac9b9a398b9215e7%7C0%7C0%7C638761338210758367%7C"><span style="color:#0563C1">https://coe.northeastern.edu/people/lustig-steve</span></a></span></u><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p style="background:#F3F3F3"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black"> e</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p><span style="font-size:12.0pt"> <o:p></o:p></span></p>
<p><span style="font-size:12.0pt"> <o:p></o:p></span></p>
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<p style="margin-bottom:12.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">Pietro Davide Delugas <pdelugas@sissa.it><br>
<b>Date: </b>Wednesday, June 18, 2025 at 12:15</span><span style="font-size:12.0pt;font-family:"Arial",sans-serif;color:black"> </span><span style="font-size:12.0pt;color:black">PM<br>
<b>To: </b>users@lists.quantum-espresso.org <users@lists.quantum-espresso.org>, Lustig, Steve <s.lustig@northeastern.edu><br>
<b>Subject: </b>Re: Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
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<p style="text-indent:revert;line-height:revert;white-space:revert"><span style="font-size:12.0pt;font-family:wf_segoe-ui_normal;color:black">You don't often get email from pdelugas@sissa.it.
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<p><span style="font-size:11.0pt;color:black">hello </span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p><span style="font-size:11.0pt;color:black">it may work or not, go inside the GUI/PWgui folder and there type </span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p><span style="font-size:11.0pt;color:black">make init </span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p><span style="font-size:11.0pt;color:black">The link will be updated to the new location, if the tcl libraries are there pwgui should work, otherwise install them with apt</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p><span style="font-size:11.0pt;color:black">pietro </span><span style="font-size:12.0pt"><o:p></o:p></span></p>
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<p><b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black">From:</span></b><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black"> users <users-bounces@lists.quantum-espresso.org> on behalf of Lustig, Steve via users
<users@lists.quantum-espresso.org><br>
<b>Sent:</b> Wednesday, June 18, 2025 17:27<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso</span><span style="font-size:12.0pt"><o:p></o:p></span></p>
<p><span style="font-size:12.0pt"> <o:p></o:p></span></p>
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<p><span style="font-size:12.0pt">The current quantum mobile 24.04.0 appears to contain a standard installation of qe-7.4.1, however qe-7.4.1 is defective. The executable pwgui fails with the error message:</span><o:p></o:p></p>
<p style="margin-left:1.0in"><span style="font-size:12.0pt;color:black">can't find package itk</span><span style="font-size:8.5pt;font-family:Menlo;color:black"><o:p></o:p></span></p>
<p style="margin-left:1.0in"><span style="font-size:12.0pt;color:black"> while executing</span><span style="font-size:8.5pt;font-family:Menlo;color:black"><o:p></o:p></span></p>
<p style="margin-left:1.0in"><span style="font-size:12.0pt">"package require itk”</span><o:p></o:p></p>
<p><span style="font-size:12.0pt"> </span><o:p></o:p></p>
<p><span style="font-size:12.0pt">There appear to be incorrect directory assignments in the installation, one I found is “/home/pietro" (this is nowhere in my computer or quantum mobile virtual machine). Tcl-tk is foreign to me, but I see the virtual machine
does have itk, but the pwgui and guid scripts cannot find itk for some reason.</span><o:p></o:p></p>
<p> <o:p></o:p></p>
<p><span style="font-size:12.0pt">I see that the same error message occurs after any fresh install of qe-7.4.1, so I believe there is a configuration error in qe-7.4.1 (that I am unable to solve). I would appreciate any help as I can’t yet contribute to the
community.</span><o:p></o:p></p>
<p><span style="font-size:12.0pt"> </span><o:p></o:p></p>
<p><span style="font-size:12.0pt">Sincerely,<br>
Steve</span><o:p></o:p></p>
<p style="background:#F3F3F3"><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:black">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:black">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#942097">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#942097">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#001C8C">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">/)~~~</span></b><b><span style="font-size:10.5pt;font-family:Helvetica;color:#B31200">_</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#B31200">/)</span></b><b><span style="font-size:9.0pt;font-family:Helvetica;color:#001C8C">~~~~</span></b><o:p></o:p></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Steve Lustig, PhD, FRSC, NAI (he/him/his)</span><o:p></o:p></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Associate Professor</span><o:p></o:p></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Department of Chemical Engineering</span><o:p></o:p></p>
<p style="background:#F3F3F3"><span style="font-size:10.5pt;font-family:Helvetica;color:#535452">Northeastern University</span><o:p></o:p></p>
<p style="background:#F3F3F3"><u><span style="font-size:10.5pt;font-family:Helvetica;color:#0563C1"><a href="https://coe.northeastern.edu/people/lustig-steve" title="https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcoe.northeastern.edu%2Fpeople%2Flustig-steve&data=05%7C02%7Cs.lustig%40northeastern.edu%7C1bba3b01c6484c72ca5e08dd560d8219%7Ca8eec281aaa34daeac9b9a398b9215e7%7C0%7C0%7C638761338210758367%7C"><span style="color:#0563C1">https://coe.northeastern.edu/people/lustig-steve</span></a></span></u><o:p></o:p></p>
<p style="background:#F3F3F3"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:black"> </span><o:p></o:p></p>
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