Date: Fri, 19 Mar 2004 01:32:49 -0800 (PST) From: Maho Nakata <maho@FreeBSD.org> To: ports-committers@FreeBSD.org, cvs-ports@FreeBSD.org, cvs-all@FreeBSD.org Subject: cvs commit: ports/science Makefile ports/science/psi3 Makefile distinfo pkg-descr pkg-plist ports/science/psi3/files patch-src+bin+detci+Makefile.in patch-src+util+tocprint+Makefile.in Message-ID: <200403190932.i2J9WnYJ098876@repoman.freebsd.org>
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maho 2004/03/19 01:32:49 PST
FreeBSD ports repository
Modified files:
science Makefile
Added files:
science/psi3 Makefile distinfo pkg-descr pkg-plist
science/psi3/files patch-configure.in
patch-src+bin+cints+Makefile.in
patch-src+bin+detci+Makefile.in
patch-src+util+tocprint+Makefile.in
Log:
The PSI3 suite of quantum chemical programs is designed for efficient,
high-accuracy calculations of properties of small to medium-sized molecules.
The package's current capabilities include a variety of Hartree-Fock,
coupled cluster, complete-active-space self-consistent-field,
and multi-reference configuration interaction models.
Molecular point-group symmetry is utilized throughout to maximize efficiency.
Revision Changes Path
1.41 +1 -0 ports/science/Makefile
1.1 +80 -0 ports/science/psi3/Makefile (new)
1.1 +2 -0 ports/science/psi3/distinfo (new)
1.1 +23 -0 ports/science/psi3/files/patch-configure.in (new)
1.1 +23 -0 ports/science/psi3/files/patch-src+bin+cints+Makefile.in (new)
1.1 +13 -0 ports/science/psi3/files/patch-src+bin+detci+Makefile.in (new)
1.1 +11 -0 ports/science/psi3/files/patch-src+util+tocprint+Makefile.in (new)
1.1 +21 -0 ports/science/psi3/pkg-descr (new)
1.1 +513 -0 ports/science/psi3/pkg-plist (new)
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