# $Id$

PortSystem          1.0

name                ghemical
version             2.99.2
set release_date    20090911
categories          science
platforms           darwin
maintainers         nomaintainer
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/${name}/
master_sites        http://www.bioinformatics.org/ghemical/download/release${release_date}/

checksums           sha1    b84b3f750ccd05a9cc0b1a8318abb3a24f2be9c1 \
                    rmd160  2d8a4d4f3d38c6b2e8b70d14f1b748c40c760334

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       http://www.bioinformatics.org/ghemical/download/current
livecheck.regex     "${name}-(\\d+(?:\\.\\d+)*)${extract.suffix}"