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. 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> > . > -- 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/CAHG27e72uFOxqN3PA3NNzouZJffp5BemP-EGqWGJa3VYWya1%3DA%40mail.gmail.com.
