Date: Mon, 10 Sep 2018 05:53:46 +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: r479360 - in head: . science science/msms science/msms/files Message-ID: <201809100553.w8A5rkoD014943@repo.freebsd.org>
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Author: yuri Date: Mon Sep 10 05:53:46 2018 New Revision: 479360 URL: https://svnweb.freebsd.org/changeset/ports/479360 Log: New port: science/msms: Program to efficiently compute molecular surfaces Added: head/science/msms/ head/science/msms/Makefile (contents, props changed) head/science/msms/distinfo-amd64 (contents, props changed) head/science/msms/distinfo-i386 (contents, props changed) head/science/msms/files/ head/science/msms/files/extract-license.awk (contents, props changed) head/science/msms/pkg-descr (contents, props changed) Modified: head/LEGAL head/science/Makefile Modified: head/LEGAL ============================================================================== --- head/LEGAL Mon Sep 10 05:36:10 2018 (r479359) +++ head/LEGAL Mon Sep 10 05:53:46 2018 (r479360) @@ -242,3 +242,4 @@ atom-*.tgz science/atom Redistribution in any form i charm-uiuc-* net/charm No commercial use: commercial use requires a commercial license namd-* science/namd No commercial use: commercial use requires a commercial license vmd-* science/vmd No commercial use: commercial use requires a commercial license +msms-* science/msms No commercial use, only for use by individuals in scientific research Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Mon Sep 10 05:36:10 2018 (r479359) +++ head/science/Makefile Mon Sep 10 05:53:46 2018 (r479360) @@ -137,6 +137,7 @@ SUBDIR += mol2ps SUBDIR += mpb SUBDIR += mpqc + SUBDIR += msms SUBDIR += multiwfn SUBDIR += namd SUBDIR += ncs Added: head/science/msms/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/msms/Makefile Mon Sep 10 05:53:46 2018 (r479360) @@ -0,0 +1,41 @@ +# $FreeBSD$ + +PORTNAME= msms +DISTVERSIONPREFIX= v +DISTVERSION= 2.6.1 +CATEGORIES= science +MASTER_SITES= http://mgltools.scripps.edu/downloads/tars/releases/MSMSRELEASE/REL${DISTVERSION}/ +DISTNAME= ${PORTNAME}_${ARCH_MSMS_DIST}Linux2_${DISTVERSION} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Program to efficiently compute molecular surfaces + +LICENSE= MSMS_LICENSE +LICENSE_NAME= MSMS License +LICENSE_FILE= ${WRKSRC}/license.txt +LICENSE_PERMS= no-auto-accept no-dist-mirror no-pkg-mirror # No redistribution is allowed. + +ONLY_FOR_ARCHS= amd64 i386 +ONLY_FOR_ARCHS_REASON= Binaries available only for ${ONLY_FOR_ARCHS}. + +RESTRICTED= No commercial use, only for use by individuals + +NO_WRKSUBDIR= yes +NO_BUILD= yes + +ARCH_MSMS_DIST= ${ARCH:S/amd64/i86_64/:S/i386/i86/} +ARCH_MSMS_FILE= ${ARCH:S/amd64/x86_64/:S/i386/i86/} + +DISTINFO_FILE= ${MASTERDIR}/distinfo-${ARCH} + +PLIST_FILES= bin/${PORTNAME} \ + man/man1/${PORTNAME}.1.gz + +post-extract: + @${AWK} -f ${FILESDIR}/extract-license.awk < ${WRKSRC}/README > ${LICENSE_FILE} + +do-install: + ${INSTALL_PROGRAM} ${WRKSRC}/${PORTNAME}.${ARCH_MSMS_FILE}Linux2.${DISTVERSION}${ARCH:S/amd64/.staticgcc/:S/${ARCH}//} ${STAGEDIR}${PREFIX}/bin/${PORTNAME} + ${INSTALL_MAN} ${WRKSRC}/${PORTNAME}.1 ${STAGEDIR}${MAN1PREFIX}/man/man1 + +.include <bsd.port.mk> Added: head/science/msms/distinfo-amd64 ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/msms/distinfo-amd64 Mon Sep 10 05:53:46 2018 (r479360) @@ -0,0 +1,3 @@ +TIMESTAMP = 1536557816 +SHA256 (msms_i86_64Linux2_2.6.1.tar.gz) = 5f0ca50360b5938e74c538e0399d582abc4a40ef4cf410e66f31a1f91e6e3e1f +SIZE (msms_i86_64Linux2_2.6.1.tar.gz) = 593147 Added: head/science/msms/distinfo-i386 ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/msms/distinfo-i386 Mon Sep 10 05:53:46 2018 (r479360) @@ -0,0 +1,3 @@ +TIMESTAMP = 1536557847 +SHA256 (msms_i86Linux2_2.6.1.tar.gz) = ab4f9e60df6fe18a5ac05550bf074b287792638a818a047697ead049d8737caf +SIZE (msms_i86Linux2_2.6.1.tar.gz) = 112762 Added: head/science/msms/files/extract-license.awk ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/msms/files/extract-license.awk Mon Sep 10 05:53:46 2018 (r479360) @@ -0,0 +1,21 @@ + +BEGIN { in_licence = 0 } + +{ + if (!in_licence && $2 == "LICENSE") { + in_licence = 1 + print prev_line + del_count = 1 + } else if (in_licence) { + if ($1 == "############################################################################") { + del_count = del_count+1 + if (del_count > 2) + in_licence = 0 + } + } + + if (in_licence) + print $0 + + prev_line = $0 +} Added: head/science/msms/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/msms/pkg-descr Mon Sep 10 05:53:46 2018 (r479360) @@ -0,0 +1,8 @@ +MSMS computes, for a given probe radius, the reduced surface of a set of +spheres. An analytical description of the solvent excluded surface is +computed from the reduced surface. Special attention is paid to the proper +handling of self-intersecting parts of the surface called singularities. +This analytical model of the solvent excluded surface can be triangulated +with a user specified vertex density. + +WWW: http://mgltools.scripps.edu/downloads#msms
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