From owner-svn-ports-all@freebsd.org Mon Aug 27 22:25:06 2018 Return-Path: Delivered-To: svn-ports-all@mailman.ysv.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.ysv.freebsd.org (Postfix) with ESMTP id 6CDFB1097DE5; Mon, 27 Aug 2018 22:25:06 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 213EE85E7E; Mon, 27 Aug 2018 22:25:06 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org (repo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:0]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id F286023D88; Mon, 27 Aug 2018 22:25:05 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org ([127.0.1.37]) by repo.freebsd.org (8.15.2/8.15.2) with ESMTP id w7RMP5XP075047; Mon, 27 Aug 2018 22:25:05 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id w7RMP51e075046; Mon, 27 Aug 2018 22:25:05 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201808272225.w7RMP51e075046@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Mon, 27 Aug 2018 22:25:05 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r478258 - head/science/mpqc X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: head/science/mpqc X-SVN-Commit-Revision: 478258 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-all@freebsd.org X-Mailman-Version: 2.1.27 Precedence: list List-Id: SVN commit messages for the ports tree List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Mon, 27 Aug 2018 22:25:06 -0000 Author: yuri Date: Mon Aug 27 22:25:05 2018 New Revision: 478258 URL: https://svnweb.freebsd.org/changeset/ports/478258 Log: science/mpqc: Fix portlint warnings about non-ASCII characters; Change WWW to https Modified: head/science/mpqc/pkg-descr Modified: head/science/mpqc/pkg-descr ============================================================================== --- head/science/mpqc/pkg-descr Mon Aug 27 21:58:32 2018 (r478257) +++ head/science/mpqc/pkg-descr Mon Aug 27 22:25:05 2018 (r478258) @@ -1,6 +1,6 @@ MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time -independent Schrödinger equation. It runs on a wide range of architectures +independent Schrodinger equation. It runs on a wide range of architectures ranging from single many-core computers to massively parallel computers. Its design is object oriented, using the C++ programming language. @@ -11,9 +11,9 @@ Capabilities functional theory energies and gradients. * Second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies. -* Second order closed shell Møller-Plesset perturbation theory energies and +* Second order closed shell Moller-Plesset perturbation theory energies and gradients. -* Second order Møller-Plesset perturbation theory including an R12/F12 +* Second order Moller-Plesset perturbation theory including an R12/F12 correlation factor. Energies of closed- and open-shell systems are supported. * Explicitly-correlated R12/F12 coupled-cluster methods via interface to @@ -30,4 +30,4 @@ You can also validate your mpqc binaries when you empl For details, please see file:///usr/local/share/doc/mpqc/hierarchy.html or http://www.mpqc.org/mpqc-html/mpqcval.html -WWW: http://www.mpqc.org/ +WWW: https://www.mpqc.org/