From owner-svn-ports-head@freebsd.org Tue Oct 16 22:58:19 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 741E110E4537; Tue, 16 Oct 2018 22:58:19 +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 284BC841D5; Tue, 16 Oct 2018 22:58:19 +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 2346D230F0; Tue, 16 Oct 2018 22:58:19 +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 w9GMwIUY098734; Tue, 16 Oct 2018 22:58:18 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id w9GMwH0j098729; Tue, 16 Oct 2018 22:58:17 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201810162258.w9GMwH0j098729@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Tue, 16 Oct 2018 22:58:17 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r482264 - in head/science: . libmsym X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . libmsym X-SVN-Commit-Revision: 482264 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: 2.1.27 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, 16 Oct 2018 22:58:19 -0000 Author: yuri Date: Tue Oct 16 22:58:17 2018 New Revision: 482264 URL: https://svnweb.freebsd.org/changeset/ports/482264 Log: New port: science/libmsym: Molecular point group symmetry library Added: head/science/libmsym/ head/science/libmsym/Makefile (contents, props changed) head/science/libmsym/distinfo (contents, props changed) head/science/libmsym/pkg-descr (contents, props changed) head/science/libmsym/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Tue Oct 16 22:45:28 2018 (r482263) +++ head/science/Makefile Tue Oct 16 22:58:17 2018 (r482264) @@ -115,6 +115,7 @@ SUBDIR += libint2 SUBDIR += libkml SUBDIR += liblinear + SUBDIR += libmsym SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm Added: head/science/libmsym/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libmsym/Makefile Tue Oct 16 22:58:17 2018 (r482264) @@ -0,0 +1,22 @@ +# $FreeBSD$ + +PORTNAME= libmsym +DISTVERSIONPREFIX= v +DISTVERSION= 0.2.3 +DISTVERSIONSUFFIX= -paper +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Molecular point group symmetry library + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/LICENSE + +USES= cmake:outsource +USE_GITHUB= yes +GH_ACCOUNT= mcodev31 +USE_LDCONFIG= yes + +CMAKE_ARGS= -DBUILD_SHARED_LIBS:BOOL=ON + +.include Added: head/science/libmsym/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libmsym/distinfo Tue Oct 16 22:58:17 2018 (r482264) @@ -0,0 +1,3 @@ +TIMESTAMP = 1539730261 +SHA256 (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 3741ebe163cf40696570d6b62e4834ca587d43dcac9de713994cc5e2960fb8fd +SIZE (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 87410 Added: head/science/libmsym/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libmsym/pkg-descr Tue Oct 16 22:58:17 2018 (r482264) @@ -0,0 +1,13 @@ +libmsym is a C library dealing with point group symmetry in molecules. + +Features: +* Determine, symmetrize and generate molecules of any point group as well + determine/select subgroups. Get symmetrically equivalent elements and + symmetrize translation of any any element in a molecule. +* Generate character tables for any point group (complex characters form + reducible representations) +* Generate SALCs of real spherical harmonics with any angular momentum for + point groups with real characters (Ci, Cs, Cnv, Dn, Dnh, Dnd, Td, O, Oh, + I and Ih), as well as symmetrize orbitals, determine partner functions etc. + +WWW: https://github.com/mcodev31/libmsym Added: head/science/libmsym/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/libmsym/pkg-plist Tue Oct 16 22:58:17 2018 (r482264) @@ -0,0 +1,10 @@ +include/libmsym/msym.h +include/libmsym/msym_EXPORTS.h +include/libmsym/msym_error.h +lib/cmake/libmsym/libmsymConfig.cmake +lib/cmake/libmsym/libmsymConfigVersion.cmake +lib/cmake/libmsym/libmsymTargets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/libmsym/libmsymTargets.cmake +lib/libmsym.so +lib/libmsym.so.0.2 +lib/libmsym.so.0.2.4