Hi,
I am trying to install Amber24 in my local machine running Debian-12. I am following the instruction from the manual. And I did no modification or added any argument to the run_cmake file. However, I am encountering the following error and I have no idea what it says. Could someone point me in right direction as to how to troubleshoot and solve this issue.
Error trace:. . .-- Looking for boost::iostreams::bzip2_decompressor() and boost::iostreams::gzip_decompressor() in libboost_atomic.so.1.74.0 libboost_thread.so.1.74.0 libboost_system.so.1.74.0 libboost_program_options.so.1.74.0 libboost_iostreams.so.1.74.0 libboost_regex.so.1.74.0 libboost_chrono.so.1.74.0 libboost_timer.so.1.74.0 libboost_chrono.so.1.74.0 libboost_filesystem.so.1.74.0 libboost_regex.so.1.74.0 libboost_graph.so.1.74.0 - found
-- Could NOT find MBX (missing: MBX_DIR)
-- Could not find MBX. To locate it, add its install dir to the prefix path.
-- Could NOT find tng_io (missing: tng_io_DIR)
-- Could not find tng_io. To locate it, add its install dir to the prefix path.
-- Could NOT find nlopt (missing: nlopt_LIBRARY nlopt_INCLUDE_DIR)
-- Could not find nlopt. To locate it, add its install dir to the prefix path.
-- Did not find external nlopt
-- The following libraries were found on your system, but are not being used: boost
-- This is because the Amber devs have frequently seen broken installs of these libraries causing trouble.
-- To tell Amber to link to these libraries, you can select individual ones using -DFORCE_EXTERNAL_LIBS=<names>.
-- Alternatively, you can request that Amber link to all libraries it finds using -DTRUST_SYSTEM_LIBS=TRUE.
-- KMMD not added to 3RDPARTY_SUBDIRS :
-- : ucpp-1.3;cpptraj/src/readline;fftw-3.3
-- Cannot find PLUMED. You will still be able to load it at runtime. If you want to link it at build time, set PLUMED_ROOT to where you installed it.
CMake Error at cmake/3rdPartyTools.cmake:1215 (message):
Unable to build internal Boost without zlib and libbz2.
Call Stack (most recent call first):
CMakeLists.txt:218 (include)
-- Configuring incomplete, errors occurred!
See also "/home/russellb/extpacks/amber/amber24_src/build/CMakeFiles/CMakeOutput.log".
See also "/home/russellb/extpacks/amber/amber24_src/build/CMakeFiles/CMakeError.log".
If errors are reported, search for 'CMake Error' in the cmake.log file.
If the cmake build report looks OK, you should now do the following:
make install
source /home/russellb/extpacks/amber/amber24/amber.sh
Consider adding the last line to your login startup script, e.g. ~/.bashrc
Could someone shed some light on this? Any help would be much appreciated.
Thanks,
Russell
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 28 2025 - 02:30:02 PDT
