cvs commit: ports/science Makefile ports/science/psi3 Makefile distinfo pkg-descr pkg-plist ports/science/psi3/files patch-src+bin+detci+Makefile.in patch-src+util+tocprint+Makefile.in

[Maho Nakata]

maho        2004/03/19 01:32:49 PST

  FreeBSD ports repository

  Modified files:
    science              Makefile 
  Added files:
    science/psi3         Makefile distinfo pkg-descr pkg-plist 
    science/psi3/files   patch-configure.in 
                         patch-src+bin+cints+Makefile.in 
                         patch-src+bin+detci+Makefile.in 
                         patch-src+util+tocprint+Makefile.in 
  Log:
  The PSI3 suite of quantum chemical programs is designed for efficient,
  high-accuracy calculations of properties of small to medium-sized molecules.
  The package's current capabilities include a variety of Hartree-Fock,
  coupled cluster, complete-active-space self-consistent-field,
  and multi-reference configuration interaction models.
  Molecular point-group symmetry is utilized throughout to maximize efficiency.
  
  Revision  Changes    Path
  1.41      +1 -0      ports/science/Makefile
  1.1       +80 -0     ports/science/psi3/Makefile (new)
  1.1       +2 -0      ports/science/psi3/distinfo (new)
  1.1       +23 -0     ports/science/psi3/files/patch-configure.in (new)
  1.1       +23 -0     ports/science/psi3/files/patch-src+bin+cints+Makefile.in (new)
  1.1       +13 -0     ports/science/psi3/files/patch-src+bin+detci+Makefile.in (new)
  1.1       +11 -0     ports/science/psi3/files/patch-src+util+tocprint+Makefile.in (new)
  1.1       +21 -0     ports/science/psi3/pkg-descr (new)
  1.1       +513 -0    ports/science/psi3/pkg-plist (new)