Each program must also be equipped with one/several sample JDLs and scripts.

Required programs

• Chemistry
  • Gaussian ?License?
  • deMon
  • Dalton
• Compilers
  • Fortran77
  • Fortran90/95
  • C
  • C++
  • Java
• Linear algebra packages:
  • ATLAS
  • LAPACK
  • ScaLAPACK
  • UMFPACK - set of routines for solving sparse linear systems
• Statistics
  • R
• Other packages:
  • GSL - GNU Scientific Library
  • FFTW - The set of C subroutines for computing the discrete
  • Fourier transform