The FreeBSD Ports Archive
FreeBSD science  : 2dhf
A Numerical Hartree-Fock Program for Diatomic Molecules
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.
http://scarecrow.1g.fi/2d/admin/getit.html
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2dhf history
v. 1.16
date: 2007/07/14 01:12:56; author: maho; state: Exp; lines: +2 -5
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.15
date: 2007/02/01 00:47:07; author: maho; state: Exp; lines: +1 -1
To deprecate shells/bash2, dependency has been changed to bash.
PR: 108633
Submitted by: bsam
v. 1.14
date: 2007/01/12 06:05:32; author: maho; state: Exp; lines: +5 -3
* Use gfortran42 only and not gcc42.
* Bump portrevision.
v. 1.13
date: 2007/01/09 22:55:40; author: maho; state: Exp; lines: +3 -2
*Bump port revision.
*Use gfortran compiled atlas/blas/lapack.
v. 1.12
date: 2007/01/09 12:07:24; author: maho; state: Exp; lines: +1 -1
blas.1 -> blas.2
v. 1.11
date: 2007/01/09 08:54:00; author: maho; state: Exp; lines: +22 -15
* Migrate to gfortran
* Update to 2005.05 version
* Change master site
v. 1.10
date: 2006/05/13 04:14:53; author: edwin; state: Exp; lines: +0 -1
Remove USE_REINPLACE from all categories starting with S
v. 1.9
date: 2005/04/12 03:26:25; author: obrien; state: Exp; lines: +1 -1
At Kris's request, back out the MACHINE_ARCH spelling correction until
after 5.4-RELEASE.
v. 1.8
date: 2005/04/11 08:03:49; author: obrien; state: Exp; lines: +1 -1
Assist getting more ports working on AMD64 by obeying the
Ports Collection documentation and use 'ARCH' rather than 'MACHINE_ARCH'.
v. 1.7
date: 2004/08/16 12:17:29; author: maho; state: Exp; lines: +2 -2
USE_INTEL should be WITH_INTEL
Noticed by: portlint
v. 1.6
date: 2004/08/16 11:18:24; author: maho; state: Exp; lines: +2 -2
Add Intel C/Fortran support via USE_INTEL
v. 1.5
date: 2004/08/16 09:33:14; author: maho; state: Exp; lines: +19 -1
Add intel fortran/c/c++ compiler support
v. 1.4
date: 2004/05/06 19:49:48; author: maho; state: Exp; lines: +1 -1
Make portlint happy by replacing space to tab
PR: 65409
Submitted by: trevor
v. 1.3
date: 2004/02/04 05:08:40; author: marcus; state: Exp; lines: +1 -0
Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.
(Part 1)
v. 1.2
date: 2003/07/28 11:47:21; author: maho; state: Exp; lines: +1 -0
Add bash for BUILD_DEPENDS
Submitted by: kris via bento
v. 1.1
date: 2003/07/24 09:50:24; author: maho; state: Exp;
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).
=============================================================================
v. 1.16
date: 2007/07/14 01:12:56; author: maho; state: Exp; lines: +2 -5
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.15
date: 2007/02/01 00:47:07; author: maho; state: Exp; lines: +1 -1
To deprecate shells/bash2, dependency has been changed to bash.
PR: 108633
Submitted by: bsam
v. 1.14
date: 2007/01/12 06:05:32; author: maho; state: Exp; lines: +5 -3
* Use gfortran42 only and not gcc42.
* Bump portrevision.
v. 1.13
date: 2007/01/09 22:55:40; author: maho; state: Exp; lines: +3 -2
*Bump port revision.
*Use gfortran compiled atlas/blas/lapack.
v. 1.12
date: 2007/01/09 12:07:24; author: maho; state: Exp; lines: +1 -1
blas.1 -> blas.2
v. 1.11
date: 2007/01/09 08:54:00; author: maho; state: Exp; lines: +22 -15
* Migrate to gfortran
* Update to 2005.05 version
* Change master site
v. 1.10
date: 2006/05/13 04:14:53; author: edwin; state: Exp; lines: +0 -1
Remove USE_REINPLACE from all categories starting with S
v. 1.9
date: 2005/04/12 03:26:25; author: obrien; state: Exp; lines: +1 -1
At Kris's request, back out the MACHINE_ARCH spelling correction until
after 5.4-RELEASE.
v. 1.8
date: 2005/04/11 08:03:49; author: obrien; state: Exp; lines: +1 -1
Assist getting more ports working on AMD64 by obeying the
Ports Collection documentation and use 'ARCH' rather than 'MACHINE_ARCH'.
v. 1.7
date: 2004/08/16 12:17:29; author: maho; state: Exp; lines: +2 -2
USE_INTEL should be WITH_INTEL
Noticed by: portlint
v. 1.6
date: 2004/08/16 11:18:24; author: maho; state: Exp; lines: +2 -2
Add Intel C/Fortran support via USE_INTEL
v. 1.5
date: 2004/08/16 09:33:14; author: maho; state: Exp; lines: +19 -1
Add intel fortran/c/c++ compiler support
v. 1.4
date: 2004/05/06 19:49:48; author: maho; state: Exp; lines: +1 -1
Make portlint happy by replacing space to tab
PR: 65409
Submitted by: trevor
v. 1.3
date: 2004/02/04 05:08:40; author: marcus; state: Exp; lines: +1 -0
Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.
(Part 1)
v. 1.2
date: 2003/07/28 11:47:21; author: maho; state: Exp; lines: +1 -0
Add bash for BUILD_DEPENDS
Submitted by: kris via bento
v. 1.1
date: 2003/07/24 09:50:24; author: maho; state: Exp;
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).
=============================================================================
v. 1.16
date: 2007/07/14 01:12:56; author: maho; state: Exp; lines: +2 -5
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.15
date: 2007/02/01 00:47:07; author: maho; state: Exp; lines: +1 -1
To deprecate shells/bash2, dependency has been changed to bash.
PR: 108633
Submitted by: bsam
v. 1.14
date: 2007/01/12 06:05:32; author: maho; state: Exp; lines: +5 -3
* Use gfortran42 only and not gcc42.
* Bump portrevision.
v. 1.13
date: 2007/01/09 22:55:40; author: maho; state: Exp; lines: +3 -2
*Bump port revision.
*Use gfortran compiled atlas/blas/lapack.
v. 1.12
date: 2007/01/09 12:07:24; author: maho; state: Exp; lines: +1 -1
blas.1 -> blas.2
v. 1.11
date: 2007/01/09 08:54:00; author: maho; state: Exp; lines: +22 -15
* Migrate to gfortran
* Update to 2005.05 version
* Change master site
v. 1.10
date: 2006/05/13 04:14:53; author: edwin; state: Exp; lines: +0 -1
Remove USE_REINPLACE from all categories starting with S
v. 1.9
date: 2005/04/12 03:26:25; author: obrien; state: Exp; lines: +1 -1
At Kris's request, back out the MACHINE_ARCH spelling correction until
after 5.4-RELEASE.
v. 1.8
date: 2005/04/11 08:03:49; author: obrien; state: Exp; lines: +1 -1
Assist getting more ports working on AMD64 by obeying the
Ports Collection documentation and use 'ARCH' rather than 'MACHINE_ARCH'.
v. 1.7
date: 2004/08/16 12:17:29; author: maho; state: Exp; lines: +2 -2
USE_INTEL should be WITH_INTEL
Noticed by: portlint
v. 1.6
date: 2004/08/16 11:18:24; author: maho; state: Exp; lines: +2 -2
Add Intel C/Fortran support via USE_INTEL
v. 1.5
date: 2004/08/16 09:33:14; author: maho; state: Exp; lines: +19 -1
Add intel fortran/c/c++ compiler support
v. 1.4
date: 2004/05/06 19:49:48; author: maho; state: Exp; lines: +1 -1
Make portlint happy by replacing space to tab
PR: 65409
Submitted by: trevor
v. 1.3
date: 2004/02/04 05:08:40; author: marcus; state: Exp; lines: +1 -0
Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.
(Part 1)
v. 1.2
date: 2003/07/28 11:47:21; author: maho; state: Exp; lines: +1 -0
Add bash for BUILD_DEPENDS
Submitted by: kris via bento
v. 1.1
date: 2003/07/24 09:50:24; author: maho; state: Exp;
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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