# $Id$

PortSystem          1.0

name                ghemical
version             2.98
categories          science
platforms           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.check     regex
livecheck.url       "${master_sites}?C=M;O=D"
livecheck.regex     "${name}-(\\d+(?:\\.\\d+)*)${extract.suffix}"