source: trunk/dports/science/ghemical/Portfile

Last change on this file was 139542, checked in by devans@…, 2 years ago

ghemical: update to version 3.0.0, dependencies, configuration, reconfigure using distributed autogen.sh for intltool 0.51 compatibility, reported clang build failure fixed using debian patch (#48630).

  • Property svn:eol-style set to native
  • Property svn:keywords set to Id
File size: 2.5 KB
Line 
1# -*- 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
2# $Id: Portfile 139542 2015-08-19 22:51:36Z ryandesign@macports.org $
3
4PortSystem          1.0
5
6name                ghemical
7version             3.0.0
8set release_date    20111012
9categories          science
10license             GPL-2+
11platforms           darwin
12maintainers         nomaintainer
13description         Ghemical is computational chemistry package
14long_description    Ghemical is a computational chemistry software package \
15                    written in C++ and released under the GNU GPL. The \
16                    program has GUI based on GTK+2 and supports quantum \
17                    mechanical and molecular mechanic models, with geometry \
18                    optimization, molecular dynamics, and a large set of \
19                    visualization tools. Ghemical relies on external code to \
20                    provide the quantum-mechanical calculations - MOPAC \
21                    provides the semi-empirical MNDO, MINDO, AM1, and PM3 \
22                    methods, and MPQC methods based on Hartree-Fock \
23                    calculations.
24
25homepage            http://www.bioinformatics.org/ghemical/${name}/
26master_sites        http://www.bioinformatics.org/ghemical/download/release${release_date}/
27
28checksums           rmd160  dc30bd1cd68a958297512f4b17c195200994d26a \
29                    sha256  babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2
30
31depends_build       port:pkgconfig \
32                    port:intltool \
33                    port:autoconf \
34                    port:automake \
35                    port:libtool
36
37depends_lib         port:gtk2 \
38                    port:libglade2 \
39                    port:gtkglext \
40                    port:openbabel \
41                    port:libghemical \
42                    port:liboglappth
43
44# reconfigure using distributed autogen.sh for intltool 0.51 compatibility
45
46patchfiles          patch-autogen.sh.diff \
47                    patch-debian-bug-756440.diff
48
49configure.cmd       ./autogen.sh && ./configure
50
51configure.args      --enable-gtk \
52                    --enable-openbabel \
53                    --disable-silent-rules
54
55platform darwin 9 {
56    configure.ldflags-append   "-L${prefix}/lib -L/System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries"
57}
58
59livecheck.type      regex
60livecheck.url       http://www.bioinformatics.org/ghemical/download/current
61livecheck.regex     "${name}-(\\d+(?:\\.\\d+)*)${extract.suffix}"
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