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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 22, 2013
  3. May 29, 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. Apr 23, 2013
    • Giovanni Bussi's avatar
      Fixed Makefile · ade13eae
      Giovanni Bussi authored
      It was (sometime) giving problems when using "make -j xx" with
      large xx, because of interdependencies between test/ and src/
      Now src/ is compiled first
      ade13eae
  6. Mar 28, 2013
    • Giovanni Bussi's avatar
      Removed the need to explicitly state "make lib-static" · c8c22236
      Giovanni Bussi authored
      On machine without dynamic libraries, just leave "SOEXT"
      undefined in the Makefile.conf. Compilation of dynamic libraries
      will be skipped.
      
      I also fixed the src/lib/Makefile such that I am sure that no .so
      object is generated for machines where SOEXT is undefined
      c8c22236
  7. Mar 22, 2013
  8. Mar 06, 2013
  9. 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
  10. Jan 19, 2012
  11. Jun 16, 2011
    • Giovanni Bussi's avatar
      Initial version · 4e6818a6
      Giovanni Bussi authored
      This is the draft version that I prepared and that we will use as
      a starting point. Still it is a bit dirty, and I will try to improve
      documentation and delete unused routines
      4e6818a6
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