Date: Sun, 2 Sep 2018 21:10:30 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r478820 - in head/science: . fleur Message-ID: <201809022110.w82LAU3H030990@repo.freebsd.org>
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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 <bsd.port.mk> 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
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