On Tue, Jan 28, 2020 at 06:11 Christoph Junghans <[email protected]> wrote:
> > > On Tue, Jan 28, 2020, 02:29 CHRISTINA-ANNA GATSIOU < > [email protected]> wrote: > >> Hi, >> >> I am trying to build VOTCA 1.5 with gromacs-2020 but I get the following >> error. >> >> -- Intel(R) MKL could not be found. >> -- Found VOTCA_TOOLS: votca_tools >> -- Checking for module 'libgromacs_d' >> -- Package 'libgromacs_d', required by 'virtual:world', not found >> -- Checking for module 'libgromacs' >> -- Package 'libgromacs', required by 'virtual:world', not found >> -- Looking for c++ gmx_version in /opt/gromacs-2020/lib64/libgromacs.so >> -- Looking for c++ gmx_version in /opt/gromacs-2020/lib64/libgromacs.so - >> found >> -- Looking for c++ gmx_is_single_precision in >> /opt/gromacs-2020/lib64/libgromacs.so >> -- Looking for c++ gmx_is_single_precision in >> /opt/gromacs-2020/lib64/libgromacs.so - found >> -- Looking for c++ gmx_is_double_precision in >> /opt/gromacs-2020/lib64/libgromacs.so >> -- Looking for c++ gmx_is_double_precision in >> /opt/gromacs-2020/lib64/libgromacs.so - not found >> CMake Error at csg/CMakeModules/FindGROMACS.cmake:39 (message): >> No GMX_VERSION line found in include file >> /opt/gromacs-2020/include/gromacs/version.h >> Call Stack (most recent call first): >> csg/CMakeModules/FindGROMACS.cmake:68 (_GROMACS_GET_VERSION) >> csg/CMakeLists.txt:85 (find_package) >> >> I have set MKL off (hoping that it doesn't affect the csg functionality). >> Is building with GROMACS also necessary ? What are the implications if I >> set it off? >> > VOTCA-1.5 doesn't support gromacs-2020, you will need to use VOTCA-1.6 for > that. However, gromacs-2020 has dropped support for tabulated interactions, > so it won't be very useful for you I guess. > https://redmine.gromacs.org/issues/1347 is the upstream issue, please comment on it. Christoph > Christoph > >> >> Best regards, >> Christianna >> >> -- >> 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/05ebce24-1c64-4092-a2e8-a0a461a0efc5%40googlegroups.com >> <https://groups.google.com/d/msgid/votca/05ebce24-1c64-4092-a2e8-a0a461a0efc5%40googlegroups.com?utm_medium=email&utm_source=footer> >> . >> > -- Christoph Junghans Web: http://www.compphys.de -- 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/CAHG27e4coorFu9Wyw0o1gSQAFyqMVRY9B4fwJ%2BSShxpAjpPHnQ%40mail.gmail.com.
