Port details on branch 2022Q2 |
- gabedit Graphical user interface for several chemistry software packages
- 2.5.1.300720_2 science =0 2.5.1.300720_2Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-08-25 18:09:18
- Last Update: 2023-11-06 10:03:47
- Commit Hash: 06df180
- License: MIT
- WWW:
- https://gabedit.sourceforge.net/
- Description:
- 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.
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- gabedit>0:science/gabedit
- To install the port:
- cd /usr/ports/science/gabedit/ && make install clean
- To add the package, run one of these commands:
- pkg install science/gabedit
- pkg install gabedit
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: gabedit
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1600638987
SHA256 (GabeditSrc251_300720.tar.gz) = c9893b0e1de9922615ede665ff8de93517528a4b2429c398e971cea32f771dbd
SIZE (GabeditSrc251_300720.tar.gz) = 7171216
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- gettext-runtime>=0.22_1 : devel/gettext-runtime
- gmake>=4.3 : devel/gmake
- pkgconf>=1.3.0_1 : devel/pkgconf
- xorgproto>=0 : x11/xorgproto
- xorgproto>=0 : x11/xorgproto
- ice.pc : x11/libICE
- sm.pc : x11/libSM
- x11.pc : x11/libX11
- xmu.pc : x11-toolkits/libXmu
- xt.pc : x11-toolkits/libXt
- Runtime dependencies:
-
- ice.pc : x11/libICE
- sm.pc : x11/libSM
- x11.pc : x11/libX11
- xmu.pc : x11-toolkits/libXmu
- xt.pc : x11-toolkits/libXt
- Library dependencies:
-
- libfontconfig.so : x11-fonts/fontconfig
- libfreetype.so : print/freetype2
- libgtkglext-x11-1.0.so : x11-toolkits/gtkglext
- libintl.so : devel/gettext-runtime
- libGL.so : graphics/libglvnd
- libGLU.so : graphics/libGLU
- libatk-1.0.so : accessibility/at-spi2-core
- libcairo.so : graphics/cairo
- libgdk_pixbuf-2.0.so : graphics/gdk-pixbuf2
- libglib-2.0.so : devel/glib20
- libintl.so : devel/gettext-runtime
- libgtk-x11-2.0.so : x11-toolkits/gtk20
- libpango-1.0.so : x11-toolkits/pango
- libpangox-1.0.so : x11-toolkits/pangox-compat
- There are no ports dependent upon this port
Configuration Options:
- ===> The following configuration options are available for gabedit-2.5.1.300720_2:
OPENMP=on: Parallel processing support via OpenMP
===> Use 'make config' to modify these settings
- Options name:
- science_gabedit
- USES:
- compiler:c++11-lang gettext-runtime gl gmake gnome pkgconfig xorg
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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