From owner-svn-ports-all@freebsd.org Thu Jan 17 09:42:55 2019 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 AEF5C148C6EC; Thu, 17 Jan 2019 09:42:55 +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 TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) server-signature RSA-PSS (4096 bits) client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 514A184C41; Thu, 17 Jan 2019 09:42:55 +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 25457185E7; Thu, 17 Jan 2019 09:42:55 +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 x0H9gtac002396; Thu, 17 Jan 2019 09:42:55 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id x0H9gsQR002389; Thu, 17 Jan 2019 09:42:54 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201901170942.x0H9gsQR002389@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Thu, 17 Jan 2019 09:42:54 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r490536 - in head/science: . erkale-pseudopotentials X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . erkale-pseudopotentials X-SVN-Commit-Revision: 490536 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-Rspamd-Queue-Id: 514A184C41 X-Spamd-Bar: -- Authentication-Results: mx1.freebsd.org X-Spamd-Result: default: False [-2.93 / 15.00]; local_wl_from(0.00)[FreeBSD.org]; NEURAL_HAM_MEDIUM(-1.00)[-0.999,0]; NEURAL_HAM_SHORT(-0.93)[-0.930,0]; NEURAL_HAM_LONG(-1.00)[-0.999,0]; ASN(0.00)[asn:11403, ipnet:2610:1c1:1::/48, country:US] X-BeenThere: svn-ports-all@freebsd.org X-Mailman-Version: 2.1.29 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: Thu, 17 Jan 2019 09:42:55 -0000 Author: yuri Date: Thu Jan 17 09:42:53 2019 New Revision: 490536 URL: https://svnweb.freebsd.org/changeset/ports/490536 Log: New port: science/erkale-pseudopotentials: Pseudopotentials for Erkale, the quantum chemistry program Added: head/science/erkale-pseudopotentials/ head/science/erkale-pseudopotentials/Makefile (contents, props changed) head/science/erkale-pseudopotentials/distinfo (contents, props changed) head/science/erkale-pseudopotentials/pkg-descr (contents, props changed) head/science/erkale-pseudopotentials/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Thu Jan 17 09:40:24 2019 (r490535) +++ head/science/Makefile Thu Jan 17 09:42:53 2019 (r490536) @@ -72,6 +72,7 @@ SUBDIR += epte SUBDIR += erd SUBDIR += erkale + SUBDIR += erkale-pseudopotentials SUBDIR += esys-particle SUBDIR += fastcap SUBDIR += fasthenry Added: head/science/erkale-pseudopotentials/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erkale-pseudopotentials/Makefile Thu Jan 17 09:42:53 2019 (r490536) @@ -0,0 +1,26 @@ +# $FreeBSD$ + +PORTNAME= erkale-pseudopotentials +DISTVERSION= g20190114 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Pseudopotentials for Erkale, the quantum chemistry program + +LICENSE= GPLv2 +LICENSE_FILE= ${WRKSRC}/COPYING + +USE_GITHUB= yes +GH_ACCOUNT= susilehtola +GH_PROJECT= erkale +GH_TAGNAME= 0c285c1 + +NO_BUILD= yes +NO_ARCH= yes + +DATADIR= ${LOCALBASE}/share/erkale + +do-install: + @cd ${WRKSRC} && ${COPYTREE_SHARE} basis ${STAGEDIR}${DATADIR} + +.include Added: head/science/erkale-pseudopotentials/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erkale-pseudopotentials/distinfo Thu Jan 17 09:42:53 2019 (r490536) @@ -0,0 +1,3 @@ +TIMESTAMP = 1547713662 +SHA256 (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = ac8703a7f56caf06a887dfb082b7dda896637f52279305e0ea3a606733af74f3 +SIZE (susilehtola-erkale-g20190114-0c285c1_GH0.tar.gz) = 111334148 Added: head/science/erkale-pseudopotentials/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erkale-pseudopotentials/pkg-descr Thu Jan 17 09:42:53 2019 (r490536) @@ -0,0 +1,4 @@ +Pseudopotentials for ERKALE, a quantum chemistry program used to solve the +electronic structure of atoms, molecules and molecular clusters. + +WWW: https://github.com/susilehtola/erkale Added: head/science/erkale-pseudopotentials/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erkale-pseudopotentials/pkg-plist Thu Jan 17 09:42:53 2019 (r490536) @@ -0,0 +1,282 @@ +%%DATADIR%%/basis/3-21++G.gbs +%%DATADIR%%/basis/3-21+G.gbs +%%DATADIR%%/basis/3-21G.gbs +%%DATADIR%%/basis/4-31G.gbs +%%DATADIR%%/basis/5ZP-DKH.gbs +%%DATADIR%%/basis/5ZP.gbs +%%DATADIR%%/basis/6-21G.gbs +%%DATADIR%%/basis/6-31++G(2d,2p).gbs +%%DATADIR%%/basis/6-31++G(2df,2pd).gbs +%%DATADIR%%/basis/6-31++G(3d,3p).gbs +%%DATADIR%%/basis/6-31++G(3df,3pd).gbs +%%DATADIR%%/basis/6-31++G(d,p).gbs +%%DATADIR%%/basis/6-31++G(df,pd).gbs +%%DATADIR%%/basis/6-31++G.gbs +%%DATADIR%%/basis/6-31+G(2d,2p).gbs +%%DATADIR%%/basis/6-31+G(2df,2pd).gbs +%%DATADIR%%/basis/6-31+G(3d,3p).gbs +%%DATADIR%%/basis/6-31+G(3df,3pd).gbs +%%DATADIR%%/basis/6-31+G(d,p).gbs +%%DATADIR%%/basis/6-31+G(df,pd).gbs +%%DATADIR%%/basis/6-31+G.gbs +%%DATADIR%%/basis/6-311++G(2d,2p).gbs +%%DATADIR%%/basis/6-311++G(2df,2pd).gbs +%%DATADIR%%/basis/6-311++G(3d,3p).gbs +%%DATADIR%%/basis/6-311++G(3df,3pd).gbs +%%DATADIR%%/basis/6-311++G(d,p).gbs +%%DATADIR%%/basis/6-311++G(df,pd).gbs +%%DATADIR%%/basis/6-311++G.gbs +%%DATADIR%%/basis/6-311+G(2d,2p).gbs +%%DATADIR%%/basis/6-311+G(2df,2pd).gbs +%%DATADIR%%/basis/6-311+G(3d,3p).gbs 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