<div dir="ltr">Hi Michael, thanks for the patch! I'm, however, not sure if we can include it in its current form. The problem is that the data-dir itself has subdirectories. Hence, it wouldn't work for example with DFTB runs. I suppose you encounted this problem when picking regtest-inputs as examples for the Debian package? I think the best solution for the time being is to just patch the paths in the input-files directly. > Finally, I tripped over the fact that -D__DATA_DIR= and $CP2K_DATA_DIR require a trailing slash, ... Good point! I will write a routine to properly join paths. -Ole Am Freitag, 1. Mai 2015 17:41:16 UTC+2 schrieb Michael:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi, the -D__DATA_DIR= and $CP2K_DATA_DIR options are really neat, but most regressions test ship with relative pathnames to the data files. In order for those to be more useful, I wrote a small patch so that strings passed as *_FILE_NAME in input will not only be looked for in the above two directories (if present) but alternatively also just the last segment of the string, i.e. the file name without path. So for "POTENTIAL_FILE_NAME ../../../data/POTENTIAL" and $CP2K_DATA_DIR=/usr/local/share/cp2k/, it would look up the potential file in both /usr/local/share/cp2k/../../../data/POTENTIAL and (new and more useful) /usr/local/share/cp2k/POTENTIAL. I took the code from [1] (which appears to be in the public domain [2]), so kept the author, but it is slightly adapted and only a few lines so I don't think it's even copyrightable. In any case, feel free to rewrite it to your taste. Finally, I tripped over the fact that -D__DATA_DIR= and $CP2K_DATA_DIR require a trailing slash, or else CP2K looks for "/usr/local/share/cp2kPOTENTIAL". I've inserted that slash as I thought it wouldn't hurt. Michael [1] <a href="http://www.cesm.ucar.edu/models/cesm1.3/cesm/cesmBbrowser/html_code/clm/fileutils.F90.html" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.cesm.ucar.edu%2Fmodels%2Fcesm1.3%2Fcesm%2FcesmBbrowser%2Fhtml_code%2Fclm%2Ffileutils.F90.html\46sa\75D\46sntz\0751\46usg\75AFQjCNEQ8u8LOSOTKwtVXWgwRvL2hNRQgw';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.cesm.ucar.edu%2Fmodels%2Fcesm1.3%2Fcesm%2FcesmBbrowser%2Fhtml_code%2Fclm%2Ffileutils.F90.html\46sa\75D\46sntz\0751\46usg\75AFQjCNEQ8u8LOSOTKwtVXWgwRvL2hNRQgw';return true;">http://www.cesm.ucar.edu/models/cesm1.3/cesm/cesmBbrowser/html_code/clm/fileutils.F90.html</a> [2] <a href="http://www.cesm.ucar.edu/models/cesm1.3/copyright.html" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.cesm.ucar.edu%2Fmodels%2Fcesm1.3%2Fcopyright.html\46sa\75D\46sntz\0751\46usg\75AFQjCNHK73M-H2mXJlEhFhHnnFYd_vxsgw';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.cesm.ucar.edu%2Fmodels%2Fcesm1.3%2Fcopyright.html\46sa\75D\46sntz\0751\46usg\75AFQjCNHK73M-H2mXJlEhFhHnnFYd_vxsgw';return true;">http://www.cesm.ucar.edu/models/cesm1.3/copyright.html</a> </blockquote></div>