Open raylab-projects opened 2 years ago
Command used for installation: cmake .. -DGMX_PATH=/home/software_shared/gromacs_2021.1/installation -DCMAKE_INSTALL_PREFIX=/home/software_shared/gromacs_2021.1/installation/do_x3dna
Error: CMake Deprecation Warning at CMakeLists.txt:1 (cmake_minimum_required): Compatibility with CMake < 2.8.12 will be removed from a future version of CMake.
Update the VERSION argument
-- Checking for module 'libgromacs' -- Found libgromacs, version 2021.1 -- Found z library: /usr/lib/x86_64-linux-gnu/libz.so -- Could NOT find GROMACS (missing: GROMACS_INCLUDE_DIR) -- Continue checking for other Gromacs version library file -- Checking for module 'libgmx' -- No package 'libgmx' found CMake Error at cmake/FindGROMACS.cmake:174 (if): if given arguments:
"NOT" "(" "/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libfftw3f.so;-ldl;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libfftw3f.so" "MATCHES" "fftw3" ")" "AND" "VERSION_GREATER" "4.6.0"
Unknown arguments specified Call Stack (most recent call first): src/CMakeLists.txt:20 (find_package)
-- Configuring incomplete, errors occurred! See also "/home/iiitd/gayatrip/software/do_x3dna/build/CMakeFiles/CMakeOutput.log".
Unfortunately, do_x3dna cannot be compiled with latest version of GROMACS. It requires lot of code modfications due to huge change in GROMACS codebase. I will try to work on making do_x3dna compatible with latest version of Gromacs, however, I cannot say, when it will finish.
Looking forward to the update.
Could you please suggest how can I install and use this tool with trajectory files generated using Gromacs 2021.1 version?