From owner-freebsd-ports Mon Sep 2 11:30:30 2002 Delivered-To: freebsd-ports@hub.freebsd.org Received: from mx1.FreeBSD.org (mx1.FreeBSD.org [216.136.204.125]) by hub.freebsd.org (Postfix) with ESMTP id 522DC37B401 for ; Mon, 2 Sep 2002 11:30:03 -0700 (PDT) Received: from freefall.freebsd.org (freefall.FreeBSD.org [216.136.204.21]) by mx1.FreeBSD.org (Postfix) with ESMTP id 2CF3E43E6E for ; Mon, 2 Sep 2002 11:30:02 -0700 (PDT) (envelope-from gnats@FreeBSD.org) Received: from freefall.freebsd.org (gnats@localhost [127.0.0.1]) by freefall.freebsd.org (8.12.4/8.12.4) with ESMTP id g82IU2JU007614 for ; Mon, 2 Sep 2002 11:30:02 -0700 (PDT) (envelope-from gnats@freefall.freebsd.org) Received: (from gnats@localhost) by freefall.freebsd.org (8.12.4/8.12.4/Submit) id g82IU299007613; Mon, 2 Sep 2002 11:30:02 -0700 (PDT) Received: from mx1.FreeBSD.org (mx1.FreeBSD.org [216.136.204.125]) by hub.freebsd.org (Postfix) with ESMTP id 94DC637B401 for ; Mon, 2 Sep 2002 11:20:50 -0700 (PDT) Received: from charter.net (dhcp-220-8.slidell.charter-ala.com [24.158.214.244]) by mx1.FreeBSD.org (Postfix) with ESMTP id 4559443E3B for ; Mon, 2 Sep 2002 11:20:47 -0700 (PDT) (envelope-from glennpj@charter.net) Received: from gforce.johnson.home (localhost [127.0.0.1]) by charter.net (8.12.5/8.12.5) with ESMTP id g82IKeuF007521 for ; Mon, 2 Sep 2002 13:20:40 -0500 (CDT) (envelope-from glenn@gforce.johnson.home) Received: (from glenn@localhost) by gforce.johnson.home (8.12.5/8.12.5/Submit) id g82IKUBc007520; Mon, 2 Sep 2002 13:20:30 -0500 (CDT) (envelope-from glenn) Message-Id: <200209021820.g82IKUBc007520@gforce.johnson.home> Date: Mon, 2 Sep 2002 13:20:30 -0500 (CDT) From: Glenn Johnson Reply-To: Glenn Johnson To: FreeBSD-gnats-submit@FreeBSD.org X-Send-Pr-Version: 3.113 Subject: ports/42332: New port: science/mmtk (Molecular Modeling ToolKit) Sender: owner-freebsd-ports@FreeBSD.ORG Precedence: bulk List-ID: List-Archive: (Web Archive) List-Help: (List Instructions) List-Subscribe: List-Unsubscribe: X-Loop: FreeBSD.org >Number: 42332 >Category: ports >Synopsis: New port: science/mmtk (Molecular Modeling ToolKit) >Confidential: no >Severity: serious >Priority: medium >Responsible: freebsd-ports >State: open >Quarter: >Keywords: >Date-Required: >Class: change-request >Submitter-Id: current-users >Arrival-Date: Mon Sep 02 11:30:01 PDT 2002 >Closed-Date: >Last-Modified: >Originator: Glenn Johnson >Release: FreeBSD 4.7-PRERELEASE i386 >Organization: >Environment: System: FreeBSD gforce.johnson.home 4.7-PRERELEASE FreeBSD 4.7-PRERELEASE #1: Mon Sep 2 10:48:20 CDT 2002 root@gforce.johnson.home:/usr/obj/usr/src/sys/GFORCE i386 >Description: This is a port of MMTK (Molecular Modeling ToolKit). In addition to providing ready-to-use implementations of standard algorithms, MMTK serves as a code basis that can be easily extended and modified to deal with standard and non-standard problems in molecular simulations. MMTK consists of nothing more than a collection of Python modules, most of which written in Python itself, with only a small time-critical part (e.g. energy evaluation) written in C. MMTK applications are Python programs that make use of these modules. 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