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  1. Oct 18, 2013
    • Giovanni Bussi's avatar
      Configuration with autoconf · f98f64eb
      Giovanni Bussi authored
      One can now produce a Makefile.conf and a sourceme.sh
      using autoconf. Just type:
      
      ./configure
      
      Or maybe
      
      ./configure CXX=icpc
      
      In case you want to use mpi, just use:
      
      ./configure CXX=mpic++
      
      Everything should be smooth. I took care that the generated Makefile.conf
      is compatible with those stored in configurations/. In this way,
      one can always resort to a saved configuration file. Moreover,
      jumping between git branches (without need of reconfiguring) will be
      easier.
      
      More info on the manual page (no need to use autoconf to compile
      the manual and see that page)
      
      Closes #46
      f98f64eb
  2. Aug 23, 2013
  3. May 20, 2013
  4. May 17, 2013
    • Giovanni Bussi's avatar
      Install procedure · 8a823a5b
      Giovanni Bussi authored
      It is now possible to install plumed with "make install".
      
      Installation is done just copying most files (e.g. obj needed
      for patching) and fixing hardcoded paths. The advantage is
      that it is possible to fix a location with environment variables
      PLUMED_PREFIX (e.g. /opt/local/) and a suffix with
      PLUMED_LIBPREFIX (e.g. 2.0.0). This will help in installing multiple
      plumed versions in the same path.
      
      Moreover, also include files are copied to e.g.
      /opt/local/include/plumed, so that it is possible to use the plumed
      tools library as a normal system library
      8a823a5b
  5. Dec 17, 2012
    • Giovanni Bussi's avatar
      Fixed way links are generated · 398d002e
      Giovanni Bussi authored
      There was a problem if starting compilation in some directory.
      Now also the links to other directories are generated recursively,
      thus are by construction up to date for all the used modules.
      
      Notice that config/ and wrapper/ are treated as special cases
      398d002e
  6. Dec 13, 2012
    • Giovanni Bussi's avatar
      Separated Config.cpp · 43edaa66
      Giovanni Bussi authored
      Now the file containing the configuration options is a .cpp file.
      This limits the effect of the change in the configuration to
      a single object file and remove the need for BUILDAFTER variable
      in Makefiles
      43edaa66
  7. Nov 23, 2012
    • Giovanni Bussi's avatar
      Source tree reorganization · 07d51f5a
      Giovanni Bussi authored
      All the source code have been moved into subdirectories of src/
      Some of these subdirectories are treated in a special manner:
      src/wrapper contains the wrappers for MD codes
      src/main contains the main.cpp file
      src/config contains files generated without compilation,
        just based on configuration info
      src/lib is the place where executables and libraries are put
        at the end
      src/cltools contains the command line tools
      src/tools contains plumed tools (reusable classes)
      src/basic contains PlumedMain, Action hierarchy and other basic stuff
      src/multicolvar contains MultiColvar stuff
      src/imd is the interactive MD (still not totally portable).
      
      Notice that, to allow easy inclusion of .h files from other modules,
      I link all the directories in src/ into module directory. In this
      way it is possible e.g. to write #include "config/PlumedConfig.h"
      
      See src/README and src/basic/Makefile to understand how inter-module
      dependencies are set
      07d51f5a
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