patch for FreeBSD support

[Johannes Dieterich]

Hi,

thanks a lot for the quick reply and the commit!

The current version of libint in the ports tree is 1.1.4. For the time
being I do not expect problems there, as the 2.0.0 is marked prealpha
on sourceforge. So it might take some time before it hits the FBSD
tree.

I'll work on a FBSD port (probably based on the stable 2.2 release)
now and report back if I should encounter problems.

Thanks a lot again

Johannes

On Mar 5, 3:33 pm, hut... at pci.uzh.ch wrote:
> Hello
>
> thanks a lot for the patches. I have applied them to the trunk.
>
> The libint version used in CP2K is 1.1. It is not compatible
> with the 2.0 version available since April last year. This might
> cause problems with the FBSD tree.
>
> best regards
>
> Juerg
>
> --------------------------------------------------------------
> Juerg Hutter                         Phone : ++41 44 635 4491
> Physical Chemistry Institute   FAX   : ++41 44 635 6838
> University of Zurich               E-mail:  hut... at pci.uzh.ch
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> ---------------------------------------------------------------
>
> -----cp... at googlegroups.com wrote: -----
>
> To: cp2k <cp... at googlegroups.com>
> From: Johannes Dieterich
> Sent by: cp... at googlegroups.com
> Date: 03/04/2012 10:29PM
> Subject: [CP2K:3736] patch for FreeBSD support
>
> Hi,
>
> please find attached a tiny patch that provides some basic support for
> CP2K on FreeBSD (tested on FBSD10 amd64) against trunk. Please note
> that the nolibint configurations are not used in the "get_arch_code"
> script since FBSD provides science/libint as a port which IMHO should
> be used by default. Also, I so far only had a look into sopt/ssmp
> configurations and neglected MPI ones.
>
> Would there be any objection in 1) getting this (and potential future
> FBSD-specific patches) upstream and 2) if I to get a cp2k port into
> the FBSD portstree (would require a release source tarball)?
>
> Best regards
>
> Johannes Dieterich
>
> ### SVN DIFF STARTS HERE ###
> Index: cp2k/tools/get_arch_code
> ===================================================================
> --- cp2k/tools/get_arch_code    (revision 12164)
> +++ cp2k/tools/get_arch_code    (working copy)
> @@ -62,6 +62,8 @@
>          PLATFORM="IRIX";;
>        IRIX64-*-*-*)
>          PLATFORM="IRIX";;
> +      FreeBSD-*-*-*)
> +        PLATFORM="FreeBSD-libint-gfortran";;
>        Linux-*-*-ppc64)
>          PLATFORM="Linux-bgl-ibm";;
>        Linux-*-*-alpha)
> Index: cp2k/arch/FreeBSD-nolibint-gfortran.sopt
> ===================================================================
> --- cp2k/arch/FreeBSD-nolibint-gfortran.sopt    (revision 0)
> +++ cp2k/arch/FreeBSD-nolibint-gfortran.sopt    (working copy)
> @@ -0,0 +1,19 @@
> +#
> +# gfortran arch file, currently for testing gfortran (svn version
> 4.3)
> +# status onhttp://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
> +#
> +CC       = gcc46
> +CPP      =
> +
> +FC       = gfortran46
> +LD       = gfortran46
> +
> +AR       = ar -r
> +
> +CPPFLAGS =
> +DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__NO_STATM_ACCESS
> +FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize -
> march=native -ffree-form $(DFLAGS)
> +LDFLAGS  = $(FCFLAGS)
> +LIBS     = -llapack -lblas -lfftw3
> +
> +OBJECTS_ARCHITECTURE = machine_gfortran.o
> Index: cp2k/arch/FreeBSD-nolibint-gfortran.ssmp
> ===================================================================
> --- cp2k/arch/FreeBSD-nolibint-gfortran.ssmp    (revision 0)
> +++ cp2k/arch/FreeBSD-nolibint-gfortran.ssmp    (working copy)
> @@ -0,0 +1,19 @@
> +#
> +# gfortran arch file, currently for testing gfortran (svn version
> 4.3)
> +# status onhttp://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
> +#
> +CC       = gcc46
> +CPP      =
> +
> +FC       = gfortran46
> +LD       = gfortran46
> +
> +AR       = ar -r
> +
> +CPPFLAGS =
> +DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__NO_STATM_ACCESS
> +FCFLAGS  = -O2 -fopenmp -ffast-math -funroll-loops -ftree-vectorize -
> march=native -ffree-form $(DFLAGS)
> +LDFLAGS  = $(FCFLAGS)
> +LIBS     = -llapack -lblas -lfftw3
> +
> +OBJECTS_ARCHITECTURE = machine_gfortran.o
> Index: cp2k/arch/FreeBSD-libint-gfortran.sopt
> ===================================================================
> --- cp2k/arch/FreeBSD-libint-gfortran.sopt      (revision 0)
> +++ cp2k/arch/FreeBSD-libint-gfortran.sopt      (working copy)
> @@ -0,0 +1,19 @@
> +#
> +# gfortran arch file, currently for testing gfortran (svn version
> 4.3)
> +# status onhttp://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
> +#
> +CC       = gcc46
> +CPP      =
> +
> +FC       = gfortran46
> +LD       = gfortran46
> +
> +AR       = ar -r
> +
> +CPPFLAGS =
> +DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -
> D__NO_STATM_ACCESS
> +FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize -
> march=native -ffree-form $(DFLAGS)
> +LDFLAGS  = $(FCFLAGS)
> +LIBS     = -llapack -lblas -lfftw3 -lderiv -lint
> +
> +OBJECTS_ARCHITECTURE = machine_gfortran.o
> Index: cp2k/arch/FreeBSD-libint-gfortran.ssmp
> ===================================================================
> --- cp2k/arch/FreeBSD-libint-gfortran.ssmp      (revision 0)
> +++ cp2k/arch/FreeBSD-libint-gfortran.ssmp      (working copy)
> @@ -0,0 +1,19 @@
> +#
> +# gfortran arch file, currently for testing gfortran (svn version
> 4.3)
> +# status onhttp://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
> +#
> +CC       = gcc46
> +CPP      =
> +
> +FC       = gfortran46
> +LD       = gfortran46
> +
> +AR       = ar -r
> +
> +CPPFLAGS =
> +DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -
> D__NO_STATM_ACCESS
> +FCFLAGS  = -O2 -fopenmp -ffast-math -funroll-loops -ftree-vectorize -
> march=native -ffree-form $(DFLAGS)
> +LDFLAGS  = $(FCFLAGS)
> +LIBS     = -llapack -lblas -lfftw3 -lderiv -lint
> +
> +OBJECTS_ARCHITECTURE = machine_gfortran.o
>
> --
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