From owner-cvs-all@FreeBSD.ORG Fri Mar 19 01:32:50 2004 Return-Path: Delivered-To: cvs-all@freebsd.org Received: from mx1.FreeBSD.org (mx1.freebsd.org [216.136.204.125]) by hub.freebsd.org (Postfix) with ESMTP id 0883216A4CE; Fri, 19 Mar 2004 01:32:50 -0800 (PST) Received: from repoman.freebsd.org (repoman.freebsd.org [216.136.204.115]) by mx1.FreeBSD.org (Postfix) with ESMTP id F2A6C43D1D; Fri, 19 Mar 2004 01:32:49 -0800 (PST) (envelope-from maho@FreeBSD.org) Received: from repoman.freebsd.org (localhost [127.0.0.1]) by repoman.freebsd.org (8.12.10/8.12.10) with ESMTP id i2J9WnGe098877; Fri, 19 Mar 2004 01:32:49 -0800 (PST) (envelope-from maho@repoman.freebsd.org) Received: (from maho@localhost) by repoman.freebsd.org (8.12.10/8.12.10/Submit) id i2J9WnYJ098876; Fri, 19 Mar 2004 01:32:49 -0800 (PST) (envelope-from maho) Message-Id: <200403190932.i2J9WnYJ098876@repoman.freebsd.org> From: Maho Nakata Date: Fri, 19 Mar 2004 01:32:49 -0800 (PST) To: ports-committers@FreeBSD.org, cvs-ports@FreeBSD.org, cvs-all@FreeBSD.org X-FreeBSD-CVS-Branch: HEAD 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 X-BeenThere: cvs-all@freebsd.org X-Mailman-Version: 2.1.1 Precedence: list List-Id: CVS commit messages for the entire tree List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Fri, 19 Mar 2004 09:32:50 -0000 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)