svn commit: r478077 - in head/science: . gabedit
Yuri Victorovich
yuri at FreeBSD.org
Sat Aug 25 18:08:52 UTC 2018
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 at 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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