From owner-svn-ports-head@freebsd.org Sun Sep 2 21:10:31 2018 Return-Path: Delivered-To: svn-ports-head@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 55362FFA833; Sun, 2 Sep 2018 21:10:31 +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 12D8F88ADA; Sun, 2 Sep 2018 21:10:31 +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 E7A241E886; Sun, 2 Sep 2018 21:10:30 +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 w82LAUhm030993; Sun, 2 Sep 2018 21:10:30 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id w82LAU3H030990; Sun, 2 Sep 2018 21:10:30 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201809022110.w82LAU3H030990@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Sun, 2 Sep 2018 21:10:30 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r478820 - in head/science: . fleur X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . fleur X-SVN-Commit-Revision: 478820 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-head@freebsd.org X-Mailman-Version: 2.1.27 Precedence: list List-Id: SVN commit messages for the ports tree for head List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Sun, 02 Sep 2018 21:10:31 -0000 Author: yuri Date: Sun Sep 2 21:10:29 2018 New Revision: 478820 URL: https://svnweb.freebsd.org/changeset/ports/478820 Log: New port: science/fleur: FLAPW code for atomic computations in quantum chemistry and physics Added: head/science/fleur/ head/science/fleur/Makefile (contents, props changed) head/science/fleur/distinfo (contents, props changed) head/science/fleur/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Sun Sep 2 21:02:10 2018 (r478819) +++ head/science/Makefile Sun Sep 2 21:10:29 2018 (r478820) @@ -64,6 +64,7 @@ SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab + SUBDIR += fleur SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi Added: head/science/fleur/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/fleur/Makefile Sun Sep 2 21:10:29 2018 (r478820) @@ -0,0 +1,25 @@ +# $FreeBSD$ + +PORTNAME= fleur +DISTVERSION= 0.27-3 # Release 3 of Version 0.27 +CATEGORIES= science +MASTER_SITES= http://www.flapw.de/pm/uploads/FLEUR/ +DISTNAME= fleurMaXR${DISTVERSION:C/.*-//} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= FLAPW code for atomic computations in quantum chemistry and physics + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libopenblas.so:math/openblas + +USES= cmake:outsource,noninja fortran localbase:ldflags tar:tgz +USE_GNOME= libxml2 + +WRKSRC= ${WRKDIR}/${PORTNAME} + +PLIST_FILES= bin/fleur \ + bin/inpgen + +.include Added: head/science/fleur/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/fleur/distinfo Sun Sep 2 21:10:29 2018 (r478820) @@ -0,0 +1,3 @@ +TIMESTAMP = 1535917154 +SHA256 (fleurMaXR3.tgz) = 71dd93165ab9148cdab507084297becb6ad419e4c10be871c647e6e45caa185c +SIZE (fleurMaXR3.tgz) = 10118106 Added: head/science/fleur/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/fleur/pkg-descr Sun Sep 2 21:10:29 2018 (r478820) @@ -0,0 +1,7 @@ +The FLAPW-Method (Full Potential Linearized Augmented Plane Wave Method) is an +all-electron method which within density functional theory is universally +applicable to all atoms of the periodic table and to systems with compact +as well as open structures. It is widely considered to be the most precise +electronic structure method in solid state physics. + +WWW: http://www.flapw.de/pm/index.php