<div dir="ltr"><div>Hello, I am trying to compile cp2k 7.1 for a Windows 10 system. I've followed the instructions <a href="https://www.cp2k.org/howto:compile_on_windows_with_cygwin">here</a>, but the build fails because it apparently cannot find the file `discover_programs.py`; however the file exists in the expected location and I can run it manually.<br></div><div><br></div><div><div style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;" class="prettyprint"><code class="prettyprint"><div class="subprettyprint"><span style="color: #000;" class="styled-by-prettify">$ make ARCH</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #606;" class="styled-by-prettify">Cygwin</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">i686</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">gfortran VERSION</span><span style="color: #660;" class="styled-by-prettify">=</span><span style="color: #000;" class="styled-by-prettify">sopt<br>C</span><span style="color: #660;" class="styled-by-prettify">:\</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #606;" class="styled-by-prettify">Anaconda3</span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">python</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">exe</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> can</span><span style="color: #080;" class="styled-by-prettify">'t open file '</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cygdrive</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">tools</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">build_utils</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">discove<br>r_programs</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">py</span><span style="color: #080;" class="styled-by-prettify">': [Errno 2] No such file or directory<br>C:\Users\ryans\Anaconda3\python.exe: can'</span><span style="color: #000;" class="styled-by-prettify">t open file </span><span style="color: #080;" class="styled-by-prettify">'/cygdrive/c/Users/ryans/cp2k-7.1/tools/build_utils/discove<br>r_programs.py'</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #606;" class="styled-by-prettify">Errno</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #660;" class="styled-by-prettify">]</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">No</span><span style="color: #000;" class="styled-by-prettify"> such file </span><span style="color: #008;" class="styled-by-prettify">or</span><span style="color: #000;" class="styled-by-prettify"> directory<br>C</span><span style="color: #660;" class="styled-by-prettify">:\</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #606;" class="styled-by-prettify">Anaconda3</span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">python</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">exe</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> can</span><span style="color: #080;" class="styled-by-prettify">'t open file '</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cygdrive</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">tools</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">build_utils</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">discove<br>r_programs</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">py</span><span style="color: #080;" class="styled-by-prettify">': [Errno 2] No such file or directory<br>Removing stale archives for sopt ...<br>C:\Users\ryans\Anaconda3\python.exe: can'</span><span style="color: #000;" class="styled-by-prettify">t open file </span><span style="color: #080;" class="styled-by-prettify">'/cygdrive/c/Users/ryans/cp2k-7.1/tools/build_utils/check_a<br>rchives.py'</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #606;" class="styled-by-prettify">Errno</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #660;" class="styled-by-prettify">]</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">No</span><span style="color: #000;" class="styled-by-prettify"> such file </span><span style="color: #008;" class="styled-by-prettify">or</span><span style="color: #000;" class="styled-by-prettify"> directory<br>make</span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #660;" class="styled-by-prettify">]:</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">***</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #080;" class="styled-by-prettify">/cygdrive/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Makefile</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">410</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> makedep</span><span style="color: #660;" class="styled-by-prettify">]</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Error</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #000;" class="styled-by-prettify"><br>make</span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #066;" class="styled-by-prettify">1</span><span style="color: #660;" class="styled-by-prettify">]:</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">***</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #080;" class="styled-by-prettify">/cygdrive/</span><span style="color: #000;" class="styled-by-prettify">c</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Users</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">ryans</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">cp2k</span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">7.1</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #606;" class="styled-by-prettify">Makefile</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">123</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> sopt</span><span style="color: #660;" class="styled-by-prettify">]</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Error</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span><span style="color: #000;" class="styled-by-prettify"><br>make</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">***</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #606;" class="styled-by-prettify">Makefile</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">118</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify"> all</span><span style="color: #660;" class="styled-by-prettify">]</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Error</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #066;" class="styled-by-prettify">2</span></div></code></div><br>Also, the instructions say the `make` command should be run from the `makefiles` directory, which does not exist in the version of cp2k I downloaded. I am running from the root (parent directory of tools/, build/, etc./). Is that correct? <br></div><div><br></div><div>Finally, is it necessary to run the toolchain script within Cygwin first? <br></div><div><br></div><div>My ultimate goal is to compile a parallel, CUDA-enabled binary for windows, but for now I just want to build the standard .sopt version.<br></div><div><br></div><div>I am not very familiar with Cygwin so am having a hard time troubleshooting it. Thank you in advance for any assistance!</div></div>