Thanks, Christoph. I'll wait for their response. Best, Anirban
On Tue, Aug 16, 2022 at 8:05 PM Christoph Junghans <[email protected]> wrote: > > > On Mon, Aug 15, 2022, 22:52 Anirban Mondal <[email protected]> > wrote: > >> Dear Christoph, >> >> I am more interested in using the CTP package which is not available on >> GitHub. That is what I can understand from its description. >> > Yes, that is correct, but some of the CTP functionality is available in > XTP on GitHub as well, but I am not the expert on that. > > I would appreciate it if you could provide some help in this regard. >> > You will need to work with the other Christoph or Denis on that. > > Christoph > > >> Thank you. >> Anirban >> >> On Mon, Aug 15, 2022 at 8:49 PM Christoph Junghans <[email protected]> >> wrote: >> >>> >>> >>> On Mon, Aug 15, 2022, 07:35 Anirban Mondal <[email protected]> >>> wrote: >>> >>>> Dear Christoph, >>>> >>>> Many thanks for the response. I could somehow bypass the cmath error. >>>> Unfortunately, I am getting stuck at the very next step of the compilation. >>>> I am using the following options to compile the code. >>>> >>>> prefix=/home/amondal/Programs/votca >>>> version=master >>>> git clone -b ${version} https://gitlab.mpcdf.mpg.de/votca/votca.git >>>> cmake -B builddir -S votca -DCMAKE_INSTALL_PREFIX=${prefix} >>>> -DEIGEN3_INCLUDE_DIR=/home/amondal/Programs/eigen3 -DBUILD_XTP=OFF >>>> -DFFTW3_INCLUDE_DIR=/home/amondal/Programs/fftw-3.3.10/include >>>> -DFFTW3_LIBRARY=/home/amondal/Programs/fftw-3.3.10/lib/libfftw3.so >>>> -DEXPAT_INCLUDE_DIR=/home/amondal/Programs/expat-2.2.7/include >>>> -DEXPAT_LIBRARY=/home/amondal/Programs/expat-2.2.7/lib >>>> -DSQLITE3_INCLUDE_DIR=/home/amondal/Programs/sqlite/include >>>> -DSQLITE3_LIBRARY=/home/amondal/Programs/sqlite/lib >>>> -DGROMACS_INCLUDE_DIR=/home/amondal/Programs/gromacs/include >>>> -DGROMACS_LIBRARY=/home/amondal/Programs/gromacs/lib64/libgromacs.so >>>> >>>> The error I am getting is the following: >>>> >>>> -- Checking for module 'libgromacs_d' >>>> -- No package 'libgromacs_d' found >>>> -- Checking for module 'libgromacs' >>>> -- No package 'libgromacs' found >>>> CMake Error at csg/CMakeModules/FindGROMACS.cmake:52 (message): >>>> Could not find a suitable gromacs library. gmx_version is not defined >>>> in >>>> the gromacs library, that is very very strange, take a look at the >>>> error >>>> message in /home/amondal/Programs/builddir/CMakeFiles/CMakeError.log >>>> to >>>> find out what was going wrong. This most likely means that your >>>> gromacs >>>> version is too old, we need at least gromacs 2016! >>>> Call Stack (most recent call first): >>>> csg/CMakeLists.txt:85 (find_package) >>>> >>>> I have manually checked the "libgromacs.so" and it is present in that >>>> directory which is unfortunately not seen by cmake. >>>> >>>> I would appreciate it if you can provide some ideas. >>>> >>> We have reworked the GROMACS detection in the last version of VOTCA (on >>> GitHub), but >>> I cannot help much with the mpcdf version. >>> >>> I will leave it to the other Christoph to respond. >>> >>> Christoph >>> >>> Thank you again, >>>> Anirban >>>> >>>> On Fri, Aug 12, 2022 at 6:58 PM Christoph Junghans <[email protected]> >>>> wrote: >>>> >>>>> >>>>> >>>>> On Fri, Aug 12, 2022 at 07:14 [email protected] < >>>>> [email protected]> wrote: >>>>> >>>>>> Dear Developers, >>>>>> >>>>>> I am trying to install VOTCA on Mac OS Monterey V.12.5. I have all >>>>>> the dependencies installed as per my understanding. Unfortunately, I get >>>>>> the following error message early in building the code. >>>>>> >>>>>> -- Looking for C++ include cmath - not found >>>>>> CMake Error at tools/CMakeLists.txt:127 (message): >>>>>> Could not find needed header - cmath >>>>>> >>>>> If there is no cmath header you won’t be able to build VOTCA. I think >>>>> Xcode has some C++ development environment that you need to install as >>>>> well. >>>>> >>>>> Otherwise if you just want to use VOTCA with modifying the code, >>>>> install docker for Mac and run the container: >>>>> $ docker run -it votca/votca /bin/bash >>>>> >>>>> Christoph >>>>> >>>>> >>>>>> For your reference, I am using GCC/C++ compilers (via Xcode). Below >>>>>> are the options I am using. >>>>>> >>>>>> cmake -DBUILD_CSGAPPS=ON -DBUILD_CTP=ON -DBUILD_XTP=OFF >>>>>> -DCMAKE_INSTALL_PREFIX=${prefix} -DBUILD_CTP_MANUAL=ON .. >>>>>> >>>>>> Please advise. >>>>>> Thank you. >>>>>> Anirban >>>>>> >>>>>> -- >>>>>> Join us on Slack: https://join.slack.com/t/votca/signup >>>>>> --- >>>>>> You received this message because you are subscribed to the Google >>>>>> Groups "votca" group. >>>>>> To unsubscribe from this group and stop receiving emails from it, >>>>>> send an email to [email protected]. >>>>>> To view this discussion on the web visit >>>>>> https://groups.google.com/d/msgid/votca/e812a7d1-af2e-468d-9487-457ed96bc617n%40googlegroups.com >>>>>> <https://groups.google.com/d/msgid/votca/e812a7d1-af2e-468d-9487-457ed96bc617n%40googlegroups.com?utm_medium=email&utm_source=footer> >>>>>> . >>>>>> >>>>> -- >>>>> Christoph Junghans >>>>> Web: http://www.compphys.de >>>>> >>>>> -- >>>>> Join us on Slack: https://join.slack.com/t/votca/signup >>>>> --- >>>>> You received this message because you are subscribed to the Google >>>>> Groups "votca" group. >>>>> To unsubscribe from this group and stop receiving emails from it, send >>>>> an email to [email protected]. >>>>> To view this discussion on the web visit >>>>> https://groups.google.com/d/msgid/votca/CAHG27e6-PgdGBz97g%2BOooR7NfrA5T8tXq%2BitE8aJb4WBAujWow%40mail.gmail.com >>>>> <https://groups.google.com/d/msgid/votca/CAHG27e6-PgdGBz97g%2BOooR7NfrA5T8tXq%2BitE8aJb4WBAujWow%40mail.gmail.com?utm_medium=email&utm_source=footer> >>>>> . >>>>> >>>> -- >>>> Join us on Slack: https://join.slack.com/t/votca/signup >>>> --- >>>> You received this message because you are subscribed to the Google >>>> Groups "votca" group. >>>> To unsubscribe from this group and stop receiving emails from it, send >>>> an email to [email protected]. >>>> To view this discussion on the web visit >>>> https://groups.google.com/d/msgid/votca/CAOtV4o62Lf%2BSUkU6Tj3W-OyG-fXe7sAh7ezpaRPTzq4vXDTvBQ%40mail.gmail.com >>>> <https://groups.google.com/d/msgid/votca/CAOtV4o62Lf%2BSUkU6Tj3W-OyG-fXe7sAh7ezpaRPTzq4vXDTvBQ%40mail.gmail.com?utm_medium=email&utm_source=footer> >>>> . >>>> >>> -- >>> Join us on Slack: https://join.slack.com/t/votca/signup >>> --- >>> You received this message because you are subscribed to the Google >>> Groups "votca" group. >>> To unsubscribe from this group and stop receiving emails from it, send >>> an email to [email protected]. >>> To view this discussion on the web visit >>> https://groups.google.com/d/msgid/votca/CAHG27e6krXeAQkK%3DdT4Srg4zLuP33YhfWEQ1w3knJod10uqkmw%40mail.gmail.com >>> <https://groups.google.com/d/msgid/votca/CAHG27e6krXeAQkK%3DdT4Srg4zLuP33YhfWEQ1w3knJod10uqkmw%40mail.gmail.com?utm_medium=email&utm_source=footer> >>> . >>> >> -- >> Join us on Slack: https://join.slack.com/t/votca/signup >> --- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To unsubscribe from this group and stop receiving emails from it, send an >> email to [email protected]. >> To view this discussion on the web visit >> https://groups.google.com/d/msgid/votca/CAOtV4o42_eJd_r1oBGme6M2_8haxT5jRHaO-Eha3QAWRmL-S7Q%40mail.gmail.com >> <https://groups.google.com/d/msgid/votca/CAOtV4o42_eJd_r1oBGme6M2_8haxT5jRHaO-Eha3QAWRmL-S7Q%40mail.gmail.com?utm_medium=email&utm_source=footer> >> . >> > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > You received this message because you are subscribed to a topic in the > Google Groups "votca" group. > To unsubscribe from this topic, visit > https://groups.google.com/d/topic/votca/rX38EcnlMaY/unsubscribe. > To unsubscribe from this group and all its topics, send an email to > [email protected]. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAHG27e5dynvypuGHyy-0gZVrmWDKd4y6UgDLkeFcDN08U0eW7A%40mail.gmail.com > <https://groups.google.com/d/msgid/votca/CAHG27e5dynvypuGHyy-0gZVrmWDKd4y6UgDLkeFcDN08U0eW7A%40mail.gmail.com?utm_medium=email&utm_source=footer> > . > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. 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