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? 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.
