From owner-svn-ports-head@freebsd.org Mon May 25 04:00:03 2020 Return-Path: Delivered-To: svn-ports-head@mailman.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.nyi.freebsd.org (Postfix) with ESMTP id 5006E2F2917; Mon, 25 May 2020 04:00:03 +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) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256 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 49VjzR1NsKz4Dk6; Mon, 25 May 2020 04:00:03 +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 2AEECC405; Mon, 25 May 2020 04:00:03 +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 04P403kE015201; Mon, 25 May 2020 04:00:03 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id 04P402RK015198; Mon, 25 May 2020 04:00:02 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <202005250400.04P402RK015198@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Mon, 25 May 2020 04:00:02 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r536433 - head/science/cp2k-data X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: head/science/cp2k-data X-SVN-Commit-Revision: 536433 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: 2.1.33 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: Mon, 25 May 2020 04:00:03 -0000 Author: yuri Date: Mon May 25 04:00:02 2020 New Revision: 536433 URL: https://svnweb.freebsd.org/changeset/ports/536433 Log: science/cp2k-data: Update 6.1.0 -> 7.1.0 Reported by: portscout Modified: head/science/cp2k-data/Makefile head/science/cp2k-data/distinfo head/science/cp2k-data/pkg-plist Modified: head/science/cp2k-data/Makefile ============================================================================== --- head/science/cp2k-data/Makefile Mon May 25 03:56:43 2020 (r536432) +++ head/science/cp2k-data/Makefile Mon May 25 04:00:02 2020 (r536433) @@ -2,7 +2,7 @@ PORTNAME= cp2k-data DISTVERSIONPREFIX= v -DISTVERSION= 6.1.0 +DISTVERSION= 7.1.0 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org Modified: head/science/cp2k-data/distinfo ============================================================================== --- head/science/cp2k-data/distinfo Mon May 25 03:56:43 2020 (r536432) +++ head/science/cp2k-data/distinfo Mon May 25 04:00:02 2020 (r536433) @@ -1,3 +1,3 @@ -TIMESTAMP = 1554566037 -SHA256 (cp2k-cp2k-v6.1.0_GH0.tar.gz) = d7dd5f164e1e51d2dcb8c7d927b99f6ac1d0f8de4a665bd9daee1a14864c30ae -SIZE (cp2k-cp2k-v6.1.0_GH0.tar.gz) = 63576088 +TIMESTAMP = 1577257727 +SHA256 (cp2k-cp2k-v7.1.0_GH0.tar.gz) = e244f76d7e1e98da7e4e4b2e6cefb723fa1205cfae4f94739413be74952e8b4e +SIZE (cp2k-cp2k-v7.1.0_GH0.tar.gz) = 79174425 Modified: head/science/cp2k-data/pkg-plist ============================================================================== --- head/science/cp2k-data/pkg-plist Mon May 25 03:56:43 2020 (r536432) +++ head/science/cp2k-data/pkg-plist Mon May 25 04:00:02 2020 (r536433) @@ -3,13 +3,15 @@ %%DATADIR%%/BASIS_ADMM %%DATADIR%%/BASIS_ADMM_MOLOPT %%DATADIR%%/BASIS_LRIGPW_AUXMOLOPT +%%DATADIR%%/BASIS_MINIX %%DATADIR%%/BASIS_MOLOPT +%%DATADIR%%/BASIS_MOLOPT_LnPP1 %%DATADIR%%/BASIS_MOLOPT_UCL %%DATADIR%%/BASIS_RI_cc-TZ %%DATADIR%%/BASIS_SET %%DATADIR%%/BASIS_ZIJLSTRA %%DATADIR%%/BASIS_def2_QZVP_RI_ALL -%%DATADIR%%/BASIS_pob-TZVP +%%DATADIR%%/BASIS_pob %%DATADIR%%/DFTB/nonscc/bb %%DATADIR%%/DFTB/nonscc/bc %%DATADIR%%/DFTB/nonscc/bh @@ -82,6 +84,7 @@ %%DATADIR%%/DFTB/scc/hh.spl %%DATADIR%%/DFTB/scc/hn.spl %%DATADIR%%/DFTB/scc/ho.spl +%%DATADIR%%/DFTB/scc/ho_modi.spl %%DATADIR%%/DFTB/scc/hp.spl %%DATADIR%%/DFTB/scc/hs.spl %%DATADIR%%/DFTB/scc/hzn.spl @@ -94,8 +97,10 @@ %%DATADIR%%/DFTB/scc/nzn.spl %%DATADIR%%/DFTB/scc/oc.spl %%DATADIR%%/DFTB/scc/oh.spl +%%DATADIR%%/DFTB/scc/oh_modi.spl %%DATADIR%%/DFTB/scc/on.spl %%DATADIR%%/DFTB/scc/oo.spl +%%DATADIR%%/DFTB/scc/oo_modi.spl %%DATADIR%%/DFTB/scc/op.spl %%DATADIR%%/DFTB/scc/os.spl %%DATADIR%%/DFTB/scc/ozn.spl @@ -127,6 +132,7 @@ %%DATADIR%%/GTH_POTENTIALS %%DATADIR%%/HFX_BASIS %%DATADIR%%/HF_POTENTIALS +%%DATADIR%%/LnPP1_POTENTIALS %%DATADIR%%/MM_POTENTIAL %%DATADIR%%/NLCC_POTENTIALS %%DATADIR%%/POTENTIAL @@ -137,4 +143,14 @@ %%DATADIR%%/t_c_g.dat %%DATADIR%%/t_sh_p_s_c.dat %%DATADIR%%/vdW_kernel_table.dat +%%DATADIR%%/xTB_parameters +%%DATADIR%%/xc_section/HF-3c.sec %%DATADIR%%/xc_section/PBE.sec +%%DATADIR%%/xc_section/vdW-DF-cx.sec +%%DATADIR%%/xc_section/vdW-DF-cx0p.sec +%%DATADIR%%/xc_section/vdW-DF-optB88.sec +%%DATADIR%%/xc_section/vdW-DF-optPBE.sec +%%DATADIR%%/xc_section/vdW-DF1-C09.sec +%%DATADIR%%/xc_section/vdW-DF1.sec +%%DATADIR%%/xc_section/vdW-DF2-b86r.sec +%%DATADIR%%/xc_section/vdW-DF2.sec