Group wish list

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build.csh script for GMIN (or make it global)

As for OPTIM, it'd be great if we had a build.csh script that we could use to specify compiler, forcefield etc rather than having to mess with the Makefile each time someone uploads a new version to the svn repository. this needn't just be for GMIN but could be used for all software from the svn root i.e.

build.csh in ~/svn would be able to (by command line option)

  • compile either GMIN, OPTIM or PATHSAMPLE
  • allow choice of compiler (pgi,ifort,nag)
  • allow choice of optimisation level (for testing - it's good to be able to set O0)
  • compile CHARMM if appropriate to include in say the GMIN build (this is only necessary for CHARMM and its compilation also requires a size specification i.e. small, medium, large)
  • clean everything
  • probably more I've forgotten, see the OPTIM build.csh script for more!