INSTALL

REQUIREMENTS:
- Fortran 2008 compiler: gfortran (4.8,4.9, 6.3 tested) or ifort (V.15 tested)
- BLAS+LAPACK library
- gcc >=4.6 needed

modify the user settings for the Makefile.
Best support is for gfortran.


-------- add-on libraries------
go to ./extralibs and edit make.in.
Use the same compiler as planned for xopt.
There should be no special flags necessary, -O is recommended.
Run: ./InstallLibs.sh


--------- XOPT -----------
1a.
 choose the compiler and any specific flags. The default "-O" is enough.
1b.
 Set the path for the blas and lapack libraries in BLASLIB.
 xopt relies on various lapack and blas functions. However, speed is not crucial unless one
 runs very large molecules (2000+ atoms) with fast methods. Thus any library will do the trick. 
 OpenBLAS is an excellent and free threaded blas/lapack implementation.
2) run: make &> make.log
  xopt will compile in mere seconds and should produce neither errors nor warnings.

3) copy or link the xopt binary to a location inside your $PATH.

4) run: xopt -h
   This produces an overview of the options if the compilation was successful.

5) Enjoy and curse loudly if something does not work ;-)