View the most recent changes for the ghemical port at: ghemical.darwinports.com/diff
Scroll down toward the bottom of the page to get installation instructions for ghemical.
The raw portfile for ghemical 2.98 is located here:
http://ghemical.darwinports.com/dports/science/ghemical/Portfile
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Check for any related Fink projects here: pdb.finkproject.org/pdb/package.php/ghemical

The ghemical Portfile 57375 2009-09-10 08:16:41Z ryandesign macports.org $

PortSystem 1.0

Name: ghemical
Version: 2.98
Category: science
Platform: darwin
Maintainers: simon openmaintainer
Description: Ghemical is computational chemistry package
Long Description: Ghemical is a computational chemistry software package written in C++ and released under the GNU GPL. The program has GUI based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations - MOPAC provides the semi-empirical MNDO, MINDO, AM1, and PM3 methods, and MPQC methods based on Hartree-Fock calculations.

Homepage: http://www.bioinformatics.org/ghemical/
Master Sites: ${homepage}download/current/
Checksums: md5 e6bf63a004c4f162eb9a7838872f5a4c sha1 d4212aefe12b4d1f98ce6859e0f0d0a658c64a5d rmd160 836e1ec7a45615b58aa4a369d2fc21f5d599fbf4

depends_build port:pkgconfig

depends_lib port:gtk2 port:libglade2 port:gtkglext port:openbabel port:libghemical port:liboglappth

configure.args --enable-gamess --enable-shortcuts --enable-openbabel

platform darwin 9 {
configure.ldflags-append "-L${prefix}/lib -L/System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries"
}

livecheck.type regex
livecheck.url "${master_sites}?C=M;O=D"
livecheck.regex "${name}-(\\d+(?:\\.\\d+)*)${extract.suffix}"

If you haven't already installed Darwin Ports, you can find easy instructions for doing so at the main Darwin Ports page.
Once Darwin Ports has been installed, in a terminal window and while online, type the following and hit return:

%  cd /opt/local/bin/portslocation/dports/ghemical
%  sudo port install ghemical  
Password: 

You will then be prompted for your root password, which you should enter. You may have to wait for a few minutes while the software is retrieved from the network and installed for you. Y ou should see something that looks similar to:

--->  Fetching ghemical
--->  Verifying checksum for ghemical
--->  Extracting ghemical
--->  Configuring ghemical
--->  Building ghemical with target all

--->  Staging ghemical into destroot

--->  Installing ghemical

- Make sure that you do not close the terminal window while Darwin Ports is working. Once the software has been installed, you can find further information about using ghemical with these commands:

%  man ghemical
%  apropos ghemical
%  which ghemical
%  locate ghemical

 Where to find more information: