From owner-svn-ports-head@freebsd.org Tue Oct 30 04:36:24 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 74AB210D3052; Tue, 30 Oct 2018 04:36:24 +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 2A401715B9; Tue, 30 Oct 2018 04:36:24 +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 0B5C0189FE; Tue, 30 Oct 2018 04:36:24 +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 w9U4aNHn077134; Tue, 30 Oct 2018 04:36:23 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id w9U4aNQb077130; Tue, 30 Oct 2018 04:36:23 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201810300436.w9U4aNQb077130@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Tue, 30 Oct 2018 04:36:23 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r483445 - in head/science: . gpaw-setups X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . gpaw-setups X-SVN-Commit-Revision: 483445 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: 2.1.29 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: Tue, 30 Oct 2018 04:36:24 -0000 Author: yuri Date: Tue Oct 30 04:36:22 2018 New Revision: 483445 URL: https://svnweb.freebsd.org/changeset/ports/483445 Log: New port: science/gpaw-setups: Setups (data files) for py-gpaw, the DFT quantum chemistry software Added: head/science/gpaw-setups/ head/science/gpaw-setups/Makefile (contents, props changed) head/science/gpaw-setups/distinfo (contents, props changed) head/science/gpaw-setups/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Tue Oct 30 02:41:08 2018 (r483444) +++ head/science/Makefile Tue Oct 30 04:36:22 2018 (r483445) @@ -86,6 +86,7 @@ SUBDIR += ghemical SUBDIR += ghmm SUBDIR += gnudatalanguage + SUBDIR += gpaw-setups SUBDIR += gramps SUBDIR += grib_api SUBDIR += gromacs Added: head/science/gpaw-setups/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/gpaw-setups/Makefile Tue Oct 30 04:36:22 2018 (r483445) @@ -0,0 +1,24 @@ +# $FreeBSD$ + +PORTNAME= gpaw-setups +DISTVERSION= 0.9.11271 +CATEGORIES= science +MASTER_SITES= https://wiki.fysik.dtu.dk/gpaw-files/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Setups (data files) for py-gpaw, the DFT quantum chemistry software + +LICENSE= GPLv3+ +LICENSE_FILE= ${WRKSRC}/COPYING + +NO_BUILD= yes +NO_ARCH= yes + +do-install: + @${MKDIR} ${STAGEDIR}${DATADIR} + ${INSTALL_DATA} ${WRKSRC}/* ${STAGEDIR}${DATADIR} + # autoplist for potentials: 500+ files in DATADIR + @cd ${STAGEDIR}${PREFIX} && \ + ${FIND} ${DATADIR:S/^${PREFIX}\///} -type f >> ${TMPPLIST} + +.include Added: head/science/gpaw-setups/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/gpaw-setups/distinfo Tue Oct 30 04:36:22 2018 (r483445) @@ -0,0 +1,3 @@ +TIMESTAMP = 1540854184 +SHA256 (gpaw-setups-0.9.11271.tar.gz) = 71083327cee250fc61e9a5f5b3907e55b457857b54629563509464cb54b02a97 +SIZE (gpaw-setups-0.9.11271.tar.gz) = 52601589 Added: head/science/gpaw-setups/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/gpaw-setups/pkg-descr Tue Oct 30 04:36:22 2018 (r483445) @@ -0,0 +1,10 @@ +A setup is to the PAW method what a pseudo-potential is to the pseudo-potential +method. There are setups for the LDA, PBE, revPBE, RPBE and GLLBSC functionals. +The setups are stored as compressed XML specification for atomic PAW datasets +files. + +This package installs the setups into the default location, +$(PREFIX)/share/gpaw-setups. You can use the GPAW_SETUP_PATH environment +variable with py-gpaw to override this default location. + +WWW: https://wiki.fysik.dtu.dk/gpaw/setups/setups.html