2dhf 2005.05_4 science =0

A Numerical Hartree-Fock Program for Diatomic Molecules
Maintained by: maho@FreeBSD.org
Port Added: 24 Jul 2003 09:50:58
License: not specified in port

A Numerical Hartree-Fock Program for Diatomic Molecules

The program finds virtually exact solution of the Hartree-Fock
and Hartree-Fock-Slater equations for diatomic molecules. The
lowest eigenstates of a given irreducible representation and
spin can be obtained. Distributed under GPL.

WWW: http://scarecrow.1g.fi/2d/admin/getit.html

CVSWeb : Sources : Main Web Site : Distfiles Availability : PortsMon

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NOTE: FreshPorts displays only required dependencies information. Optional dependencies are not covered.
Required To Build: shells/bash, devel/gmake, lang/gcc46, devel/binutils
Required To Run: lang/gcc46
Required Libraries: math/blas, math/lapack
There are no ports dependent upon this port

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To install the port: cd /usr/ports/science/2dhf/ && make install clean
To add the package: pkg_add -r 2dhf

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Configuration Options

     No options to configure

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Master Sites:

http://www.fizyka.umk.pl/~jkob/2dhf/

ftp://ftp.FreeBSD.org/pub/FreeBSD/ports/distfiles/

adjust linking and comments in dependent ports after the math/atlas update;
math/atlas-devel will be updated to use the same constructs at a later date

PR:             162706
Approved by:    miwi (portmgr)
Feature safe:   yes

 - remove MD5

- Change sed delimiters away from ,

Reported by:    pointyhat

Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now
implies lang/gcc44 up from lang/gcc43.

Approved by:    portmgr

Bump PORTREVISION due to change of USE_FORTRAN=yes to GCC 4.3.

Now we use USE_FORTRAN=yes to use FORTRAN compiler.

To deprecate shells/bash2, dependency has been changed to bash.

PR:             108633
Submitted by:   bsam

* Use gfortran42 only and not gcc42.
* Bump portrevision.

*Bump port revision.
*Use gfortran compiled atlas/blas/lapack.

blas.1 -> blas.2

* Migrate to gfortran
* Update to 2005.05 version
* Change master site

Remove USE_REINPLACE from all categories starting with S

SHA256ify

Approved by: krion@

At Kris's request, back out the MACHINE_ARCH spelling correction until
after 5.4-RELEASE.

Assist getting more ports working on AMD64 by obeying the
Ports Collection documentation and use 'ARCH' rather than 'MACHINE_ARCH'.

USE_INTEL should be WITH_INTEL

Noticed by:     portlint

Add Intel C/Fortran support via USE_INTEL

Add intel fortran/c/c++ compiler support

Make portlint happy by replacing space to tab

PR:             65409
Submitted by:   trevor

SIZEify

Submitted by:   trevor

Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.

(Part 1)

Forgot to remove EXAMPLEDIR

Submitted by:   bento

Fix build on 4-STABLE

Submitted by:   kris via bento

Add bash for BUILD_DEPENDS

Submitted by:   kris via bento

Added a Numerical Hartree-Fock Program for Diatomic Molecules.
This program package calcluates virtually exact solution of the
Hartree-Fock and Hartree-Fock-Salter equations for diatomic
molecules (distributed under GPL).

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