Date: Wed, 9 Sep 2009 15:07:22 -0300 From: Fernan Aguero <fernan@iib.unsam.edu.ar> To: FreeBSD GNATS PR Submission <freebsd-gnats-submit@FreeBSD.org> Subject: ports/138673: [new port] science/mol2ps Message-ID: <20090909180722.GF15767@iib.unsam.edu.ar> Resent-Message-ID: <200909091810.n89IA1TR035015@freefall.freebsd.org>
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>Number: 138673 >Category: ports >Synopsis: [new port] science/mol2ps >Confidential: no >Severity: non-critical >Priority: low >Responsible: freebsd-ports-bugs >State: open >Quarter: >Keywords: >Date-Required: >Class: change-request >Submitter-Id: current-users >Arrival-Date: Wed Sep 09 18:10:01 UTC 2009 >Closed-Date: >Last-Modified: >Originator: Fernan Aguero >Release: FreeBSD 6.3-RELEASE-p1 i386 >Organization: IIB-UNSAM >Environment: FreeBSD gama.iib.unsam.edu.ar 6.3-RELEASE-p1 FreeBSD 6.3-RELEASE-p1 #0: Wed Apr 2 18:37:14 ART 2008 fernan@gama.iib.unsam.edu.ar:/usr/obj/freebsd/freebsd-6.3/src/sys/GAMA i386 <machine, os, target, libraries (multiple lines)> >Description: <precise description of the problem (multiple lines)> Please add the mol2ps port to the FreeBSD ports collection. Thanks! >How-To-Repeat: <code/input/activities to reproduce the problem (multiple lines)> >Fix: <how to correct or work around the problem, if known (multiple lines)> --- mol2ps.shar begins here --- # This is a shell archive. Save it in a file, remove anything before # this line, and then unpack it by entering "sh file". Note, it may # create directories; files and directories will be owned by you and # have default permissions. # # This archive contains: # # mol2ps # mol2ps/Makefile # mol2ps/distinfo # mol2ps/pkg-descr # mol2ps/files # mol2ps/files/color.conf # echo c - mol2ps mkdir -p mol2ps > /dev/null 2>&1 echo x - mol2ps/Makefile sed 's/^X//' >mol2ps/Makefile << 'f4b47c8a8f24d66abad1e19079b50e2e' X# New ports collection makefile for: mol2ps X# Date created: 23 Feb 2009 X# Whom: Fernan Aguero <fernan@iib.unsam.edu.ar> X# X# $FreeBSD$ X# X XPORTNAME= mol2ps XPORTVERSION= 0.1e XCATEGORIES= science XMASTER_SITES= http://merian.pch.univie.ac.at/pch/download/chemistry/${PORTNAME}/ XDISTNAME= ${PORTNAME} XEXTRACT_SUFX= .pas X XMAINTAINER= fernan@iib.unsam.edu.ar XCOMMENT= Read molecular structure files and generate Postscript output X XUSE_FPC= yes XPLIST_FILES= bin/${PORTNAME} ${DATADIR}/color.conf X Xdo-extract: X @${RM} -rf ${WRKDIR} X @${MKDIR} ${WRKDIR} X ${CP} ${DISTDIR}/${DISTFILES} ${WRKDIR}/ Xdo-build: X cd ${WRKDIR}; ${LOCALBASE}/bin/fpc ${DISTFILES} -S2 -O3 -Op3 Xdo-install: X ${INSTALL_PROGRAM} ${WRKDIR}/${PORTNAME} ${PREFIX}/bin/ X @${MKDIR} ${DATADIR} X ${INSTALL_DATA} ${FILESDIR}/color.conf ${DATADIR} X X.include <bsd.port.mk> f4b47c8a8f24d66abad1e19079b50e2e echo x - mol2ps/distinfo sed 's/^X//' >mol2ps/distinfo << '122cb6635c992881f31bc1a07336a57e' XMD5 (mol2ps.pas) = 9bc6475e8d54827dca10a9b9a1994d61 XSHA256 (mol2ps.pas) = 9e8b46132b8d1f5baea08231c04dd5a3051c52b5ca8da5a38141753a1344506f XSIZE (mol2ps.pas) = 165111 122cb6635c992881f31bc1a07336a57e echo x - mol2ps/pkg-descr sed 's/^X//' >mol2ps/pkg-descr << 'a54e2f3be3e38370cd9573388cd8a20a' Xmol2ps is a freely available command-line utility program which reads Xmolecular structure files in different formats and generates XPostscript output for 2D display. The Postscript file can then be used Xe.g. for creating a bitmap file, using a Postscript interpreter like XGhostscript. X XAs input files, MDL molfiles and SD files (*.mol, *.sdf; 2D and 3D), XAlchemy molfiles (*.mol), and Sybyl mol2 files (*.mol2) are accepted Xby mol2ps, the preferred format is the MDL molfile format. At present, Xit is not intended to extend the number of supported input file Xformats, as there are powerful file format converters available, such Xas OpenBabel (see biology/babel port). X XThe main purpose of mol2ps is to create small, but high-quality 2D Xpictures of molecules for display on web pages. Especially for Xweb-based molecular structure databases it is quite useful to have Xpre-built pictures for display in hitlists instead of invoking browser Xplugins, Java applets, or server-side programs for display of the Xindividual structures. X XWWW: http://merian.pch.univie.ac.at/~nhaider/cheminf/mol2ps.html a54e2f3be3e38370cd9573388cd8a20a echo c - mol2ps/files mkdir -p mol2ps/files > /dev/null 2>&1 echo x - mol2ps/files/color.conf sed 's/^X//' >mol2ps/files/color.conf << 'c18d15373c5735c7a7780b7cbf62d6a6' XH 0 0 0 XD 0 0 255 XT 0 0 255 XHe 255 51 204 XLi 102 0 0 XBe 0 204 102 XB 0 255 51 XC 255 0 51 XN 0 0 255 XO 204 51 0 XF 255 153 51 XNe 255 51 204 XNa 0 0 255 XMg 51 102 51 XAl 153 153 153 XSi 255 153 51 XP 255 204 0 XS 255 204 51 XCl 0 255 51 XAr 255 51 204 XK 255 51 204 XCa 153 153 153 XSc 255 51 204 XTi 255 51 204 XV 255 51 204 XCr 0 255 102 XMn 153 153 153 XFe 255 204 0 XCo 255 51 204 XNi 153 51 51 XCu 204 102 0 XZn 204 102 204 XGa 255 51 204 XGe 255 51 204 XAs 255 51 204 XSe 255 51 204 XBr 204 102 0 XKr 255 51 204 XRb 255 51 204 XSr 255 51 204 XY 255 51 204 XZr 255 51 204 XNb 255 51 204 XMo 255 51 204 XTc 255 51 204 XRu 255 51 204 XRh 255 51 204 XPd 255 51 204 XAg 153 153 153 XCd 255 51 204 XIn 255 51 204 XSn 255 51 204 XSb 255 51 204 XTe 255 51 204 XI 255 0 204 XXe 255 51 204 XCs 255 51 204 XBa 255 51 204 XLu 255 51 204 XHf 255 51 204 XTa 255 51 204 XW 255 51 204 XRe 255 51 204 XOs 255 51 204 XIr 255 51 204 XPt 255 51 204 XAu 255 51 204 XHg 255 51 204 XTl 255 51 204 XPb 255 51 204 XBi 255 51 204 XPo 255 51 204 XAt 255 51 204 XRn 255 51 204 XFr 255 51 204 XRa 255 51 204 XLr 255 51 204 XRf 255 51 204 XDb 255 51 204 XSg 255 51 204 XBh 255 51 204 XHs 255 51 204 XMt 255 51 204 XDs 255 51 204 XRg 255 51 204 XUu 255 51 204 XLa 255 51 204 XCe 255 51 204 XPr 255 51 204 XNd 255 51 204 XPm 255 51 204 XSm 255 51 204 XEu 255 51 204 XGd 255 51 204 XTb 255 51 204 XDy 255 51 204 XHo 255 51 204 XEr 255 51 204 XTm 255 51 204 XYb 255 51 204 XAc 255 51 204 XTh 255 51 204 XPa 255 51 204 XU 255 51 204 XNp 255 51 204 XPu 255 51 204 XAm 255 51 204 XCm 255 51 204 XBk 255 51 204 XCf 255 51 204 XEs 255 51 204 XFm 255 51 204 XMd 255 51 204 XNo 255 51 204 c18d15373c5735c7a7780b7cbf62d6a6 exit --- mol2ps.shar ends here --- >Release-Note: >Audit-Trail: >Unformatted:
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