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Hello,</div>
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the file CMakeLists.txt is related to the CMake builder, which you are not using (you are using autotools), so it does not help. Try to change the configure option like this:</div>
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--with-libxc-prefix=/usr/local/libxc</div>
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so no /lib/</div>
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Also, if you need to use a libxc gga_x functional be aware of this:</div>
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<a href="https://www.mail-archive.com/users@lists.quantum-espresso.org/msg43743.html" id="LPlnk190119">https://www.mail-archive.com/users@lists.quantum-espresso.org/msg43743.html</a></div>
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<br>
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Cheers,</div>
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Fabrizio</div>
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<br>
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<br>
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CNR IOM<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Collins Nganou <Collins_Nganou@cbu.ca><br>
<b>Sent:</b> Monday, August 21, 2023 9:01 PM<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> [QE-users] Quantum Espresso 7.2 with LibXC 6.2.2</font>
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Hello everyone,</div>
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<br>
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<div class="x_elementToProof" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
I am trying to install quantum espresso(QE) with Libxc-6.2.2.</div>
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Following the procedure in the user manual or the suggestion of "Paolo and Takahiro" posted
<i class="x_ContentPasted1">Tue Sep 6 06:08:38 CEST 2022</i> I fail to overcome the error in QE configuration (see below).</div>
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<br>
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Libxc-6.2.2 was installed will the following configuration: <span style="font-family:monospace"><span class="x_ContentPasted2" style="color:rgb(0,0,0); background-color:rgb(255,255,255)">./configure CC=nvcc FC=nvfortran --prefix=/usr/local/libxc</span><br>
</span></div>
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<span style="font-family:monospace">and QE was: <span class="x_ContentPasted3"><span class="x_ContentPasted3" style="color:rgb(0,0,0); background-color:rgb(255,255,255)">./configure CC=nvcc FC=nvfortran --prefix=/usr/local/qe-7.2 --with-libxc=yes --with-libxc-prefix=/usr/lo</span>cal/libxc/lib<br>
</span></span></div>
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<span style="font-family:monospace"><span class="x_ContentPasted3"><br>
</span></span></div>
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<span style="font-family:monospace"><span class="x_ContentPasted3">I received the following error message:</span></span></div>
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<span style="font-family:monospace"><span class="x_ContentPasted3"><br class="x_ContentPasted3">
</span></span></div>
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<span style="font-family:monospace"><span class="x_ContentPasted3"><span class="x_ContentPasted4"><span class="x_ContentPasted4" style="color:rgb(0,0,0); background-color:rgb(255,255,255)">grep: /usr/local/libxc/lib/xc_version.h: No such file or directory
</span><br class="x_ContentPasted4">
grep: /usr/local/libxc/lib/xc_version.h: No such file or directory <br class="x_ContentPasted4">
checking for libxc... no (-I/usr/local/libxc/lib/include -L/usr/local/libxc/lib/lib -lxcf03 -lxc)
<br class="x_ContentPasted4">
configure: error: Could not find required libxc library.<br class="x_ContentPasted4">
</span></span></span></div>
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<span style="font-family:monospace"><span class="x_ContentPasted3"><br class="x_ContentPasted3">
</span></span></div>
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<span style="font-family:monospace">I check the <span><span class="x_ContentPasted5" style="color:rgb(255,255,255); background-color:rgb(0,0,0)">CMakeLists.txt
</span>of QE, in principle it should detect the version of libxc-6.2.2 at the line
<br>
</span></span></div>
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<span style="font-family:monospace"><span><span><span class="x_ContentPasted6" style="font-weight:bold; color:rgb(84,255,84); background-color:rgb(255,255,255)"> else</span><span class="x_ContentPasted6" style="color:rgb(0,0,0); background-color:rgb(255,255,255)">()
</span><br class="x_ContentPasted6">
<span class="x_ContentPasted6" style="color:rgb(24,178,24); background-color:rgb(255,255,255)"> message</span><span class="x_ContentPasted6" style="color:rgb(0,0,0); background-color:rgb(255,255,255)">(FATAL_ERROR "Failed to find Libxc package (>=5.1.2)
with Fortran enabled.") </span><br class="x_ContentPasted6">
<span class="x_ContentPasted6" style="font-weight:bold; color:rgb(84,255,84); background-color:rgb(255,255,255)"> endif</span><span class="x_ContentPasted6" style="color:rgb(0,0,0); background-color:rgb(255,255,255)">()</span><br class="x_ContentPasted6">
</span></span></span></div>
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<span style="font-family:monospace"><span><span><span><span class="x_ContentPasted7" style="font-weight:bold; color:rgb(84,84,255); background-color:rgb(255,255,255)">of # LIBXC</span><br class="x_ContentPasted7">
</span></span></span></span></div>
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<span style="font-family:monospace"><span class="x_elementToProof"><span><span><span style="color:rgb(0,0,0); background-color:rgb(255,255,255)"></span><br>
</span></span></span></span></div>
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<span style="font-family:monospace"><span class="x_elementToProof"><span><span>I am looking for any suggestions thank you.</span></span></span></span></div>
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<span style="font-family:monospace"><span class="x_elementToProof"><span><span><br>
</span></span></span></span></div>
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<span style="font-family:monospace"><span class="x_elementToProof"><span><span><br>
</span></span></span></span></div>
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<span style="font-family:monospace"><span class="x_elementToProof"><span><span>Albert Collins, PhD</span></span></span></span></div>
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<span style="font-family:monospace"><span class="x_elementToProof"><span><span>Cape Breton University<br class="x_ContentPasted7">
</span></span></span></span></div>
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<span style="font-family:monospace"> <br class="x_ContentPasted2">
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