Date: Sat, 25 Aug 2018 18:08:51 +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: r478077 - in head/science: . gabedit Message-ID: <201808251808.w7PI8pm9058738@repo.freebsd.org>
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Author: yuri Date: Sat Aug 25 18:08:50 2018 New Revision: 478077 URL: https://svnweb.freebsd.org/changeset/ports/478077 Log: New port: science/gabedit: Graphical user interface for several chemistry software packages Added: head/science/gabedit/ head/science/gabedit/Makefile (contents, props changed) head/science/gabedit/distinfo (contents, props changed) head/science/gabedit/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Sat Aug 25 17:26:16 2018 (r478076) +++ head/science/Makefile Sat Aug 25 18:08:50 2018 (r478077) @@ -66,6 +66,7 @@ SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += fvm + SUBDIR += gabedit SUBDIR += gchemutils SUBDIR += gdma SUBDIR += getdp Added: head/science/gabedit/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/gabedit/Makefile Sat Aug 25 18:08:50 2018 (r478077) @@ -0,0 +1,49 @@ +# $FreeBSD$ + +PORTNAME= gabedit +DISTVERSION= 2.5.0 +CATEGORIES= science +MASTER_SITES= http://prdownloads.sourceforge.net/${PORTNAME}/ +DISTNAME= GabeditSrc${DISTVERSION:S/.//g} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Graphical user interface for several chemistry software packages + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/License + +LIB_DEPENDS= libfontconfig.so:x11-fonts/fontconfig \ + libfreetype.so:print/freetype2 \ + libgtkglext-x11-1.0.so:x11-toolkits/gtkglext \ + libomp.so:devel/openmp + +USES= gettext-runtime gmake pkgconfig +USE_GNOME= atk cairo gdkpixbuf2 glib20 gtk20 pango pangox-compat +USE_GL= gl glu +USE_XORG= x11 +INSTALLS_ICONS= yes + +WRKSRC= ${WRKDIR}/GabeditSrc250 + +BINARY_ALIAS= make=gmake + +PLIST_FILES= bin/gabedit \ + share/applications/gabedit.desktop + +ICON_SIZES= 16 24 32 48 +.for SZ in ${ICON_SIZES} +PLIST_FILES+= share/icons/hicolor/${SZ}x${SZ}/apps/gabedit.png +.endfor + +post-patch: + @${REINPLACE_CMD} 's|/usr/|${PREFIX}/|; s| -O2| ${CFLAGS}|; s|gcc|${CC}|' ${WRKSRC}/CONFIG + +do-install: + ${INSTALL_PROGRAM} ${WRKSRC}/${PORTNAME} ${STAGEDIR}${PREFIX}/bin/ + ${INSTALL_DATA} ${WRKSRC}/utils/Others/${PORTNAME}.desktop ${STAGEDIR}${DESKTOPDIR} +.for SZ in ${ICON_SIZES} + @${MKDIR} ${STAGEDIR}${PREFIX}/share/icons/hicolor/${SZ}x${SZ}/apps + ${INSTALL_DATA} ${WRKSRC}/icons/Gabedit${SZ}.png ${STAGEDIR}${PREFIX}/share/icons/hicolor/${SZ}x${SZ}/apps/${PORTNAME}.png +.endfor + +.include <bsd.port.mk> Added: head/science/gabedit/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/gabedit/distinfo Sat Aug 25 18:08:50 2018 (r478077) @@ -0,0 +1,3 @@ +TIMESTAMP = 1535215725 +SHA256 (GabeditSrc250.tar.gz) = 45cdde213a09294bbf2df5f324ea11fc4c4045b3f9d58e4d67979e6f071c7689 +SIZE (GabeditSrc250.tar.gz) = 4228706 Added: head/science/gabedit/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/gabedit/pkg-descr Sat Aug 25 18:08:50 2018 (r478077) @@ -0,0 +1,18 @@ +Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, +Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem +computational chemistry packages. + +Features: +* Gabedit makes using Computational Chemistry Packages (CCP) simple and + straightforward . +* Sketch in molecules using its advanced 3D Structure Builder, or load in + molecules from standard files. +* Set up and submit CCP jobs right from the interface, and monitor their + progress as they run. +* Examine calculation results graphically via state-of-the-art visualization + features: display molecular orbitals and other surfaces, view spectra, animate + normal modes, geometry optimizations and reaction paths. +* Molecular Dynamics using Amber 99 molecular mechanics or Semi-Empirical + potentials. + +WWW: https://sourceforge.net/projects/gabedit/
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