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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 ? </div>
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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:</div>
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sudo apt update; sudo apt install itk3 iwidgets4 . </div>
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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. </div>
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I hope that it eventually works </div>
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greetings </div>
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Pietro </div>
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<b>From:</b> 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</div>
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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</p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"><img id="x_Picture_x0020_1" style="width: 718px; height: 173px; margin-top: 0px; margin-bottom: 0px;" width="718" height="173" size="73096" contenttype="image/png" data-outlook-trace="F:1|T:1" src="cid:image001.png@01DBE052.47C27CF0"></p>
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<span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: black;"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: black;"><b>/)</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(148, 32, 151);"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(148, 32, 151);"><b>/)</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(0, 28, 140);"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>/)~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(179, 18, 0);"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(179, 18, 0);"><b>/)</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~~</b></span></p>
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<span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(83, 84, 82);">Steve Lustig, PhD, FRSC, NAI (he/him/his)</span></p>
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<span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(83, 84, 82);">Associate Professor</span></p>
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<span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(83, 84, 82);">Department of Chemical Engineering</span></p>
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<span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(83, 84, 82);">Northeastern University</span></p>
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<span style="color: black;"><b>From: </b>Pietro Davide Delugas <pdelugas@sissa.it><br>
<b>Date: </b>Wednesday, June 18, 2025 at 12:15</span><span style="font-family: "Arial", sans-serif; color: black;"> </span><span style="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></p>
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<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"><span style="font-size: 11pt; color: black;">hello </span></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"><span style="font-size: 11pt; color: black;">it may work or not, go inside the GUI/PWgui folder and there type </span></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"><span style="font-size: 11pt; color: black;">make init </span></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"><span style="font-size: 11pt; 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></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"><span style="font-size: 11pt; color: black;">pietro </span></p>
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<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"><span style="font-family: "Calibri", sans-serif; font-size: 11pt; color: black;"><b>From:</b> 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></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 12pt;"> </p>
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<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 10pt;"><span style="font-size: 12pt;">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></p>
<p style="margin: 0in 0in 0in 1in; font-family: Menlo; font-size: 8.5pt; color: black;">
<span style="font-family: "Aptos", sans-serif; font-size: 12pt;">can't find package itk</span></p>
<p style="margin: 0in 0in 0in 1in; font-family: Menlo; font-size: 8.5pt; color: black;">
<span style="font-family: "Aptos", sans-serif; font-size: 12pt;"> while executing</span></p>
<p style="margin: 0in 0in 0in 1in; font-family: "Aptos", sans-serif; font-size: 10pt;">
<span style="font-size: 12pt;">"package require itk”</span></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 10pt;"><span style="font-size: 12pt;"> </span></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 10pt;"><span style="font-size: 12pt;">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></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 10pt;"> </p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 10pt;"><span style="font-size: 12pt;">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></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 10pt;"><span style="font-size: 12pt;"> </span></p>
<p style="margin: 0in; font-family: "Aptos", sans-serif; font-size: 10pt;"><span style="font-size: 12pt;">Sincerely,<br>
Steve</span></p>
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<span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: black;"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: black;"><b>/)</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(148, 32, 151);"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(148, 32, 151);"><b>/)</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(0, 28, 140);"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>/)~~~</b></span><span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(179, 18, 0);"><b>_</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(179, 18, 0);"><b>/)</b></span><span style="font-family: Helvetica; font-size: 9pt; color: rgb(0, 28, 140);"><b>~~~~</b></span></p>
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<span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(83, 84, 82);">Steve Lustig, PhD, FRSC, NAI (he/him/his)</span></p>
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<span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(83, 84, 82);">Department of Chemical Engineering</span></p>
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<span style="font-family: Helvetica; font-size: 10.5pt; color: rgb(83, 84, 82);">Northeastern University</span></p>
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