# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4

PortSystem          1.0

name                ghemical
version             3.0.0
set release_date    20111012
revision            1

categories          science
license             GPL-2+
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           rmd160  dc30bd1cd68a958297512f4b17c195200994d26a \
                    sha256  babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2

depends_build       port:pkgconfig \
                    port:intltool \
                    port:autoconf \
                    port:automake \
                    port:libtool

depends_lib         path:lib/pkgconfig/gtk+-2.0.pc:gtk2 \
                    port:libglade2 \
                    port:gtkglext \
                    port:openbabel2 \
                    port:libghemical \
                    port:liboglappth

# reconfigure using distributed autogen.sh for intltool 0.51 compatibility

patchfiles          patch-autogen.sh.diff \
                    patch-debian-bug-756440.diff

configure.cmd       ./autogen.sh && ./configure

configure.args      --enable-gtk \
                    --enable-openbabel \
                    --disable-silent-rules

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}"
