[32538] trunk/dports/science

[simon at macports.org]

Revision: 32538
          http://trac.macosforge.org/projects/macports/changeset/32538
Author:   simon at macports.org
Date:     2008-01-07 08:03:38 -0800 (Mon, 07 Jan 2008)

Log Message:
-----------
science/ghemical: New port. A computational chemistry software.
science/libghemical: New port. Library for ghemical.
science/liboglappth: New port. Library for ghemical.

Added Paths:
-----------
    trunk/dports/science/ghemical/
    trunk/dports/science/ghemical/Portfile
    trunk/dports/science/libghemical/
    trunk/dports/science/libghemical/Portfile
    trunk/dports/science/liboglappth/
    trunk/dports/science/liboglappth/Portfile

Added: trunk/dports/science/ghemical/Portfile
===================================================================
--- trunk/dports/science/ghemical/Portfile	                        (rev 0)
+++ trunk/dports/science/ghemical/Portfile	2008-01-07 16:03:38 UTC (rev 32538)
@@ -0,0 +1,39 @@
+# $Id$
+
+PortSystem          1.0
+
+name                ghemical
+version             2.95
+categories          science
+platforms           darwin
+maintainers         simon
+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 262d546d7ceca078d0e12a99211d3734 \
+                    sha1 ac9419292554103f2b9bc7be8dfc921906134351 \
+                    rmd160 866cb26b7980d9cdfc1f73ddc03240df583ded20
+
+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


Property changes on: trunk/dports/science/ghemical/Portfile
___________________________________________________________________
Name: svn:keywords
   + Id
Name: svn:eol-style
   + native

Added: trunk/dports/science/libghemical/Portfile
===================================================================
--- trunk/dports/science/libghemical/Portfile	                        (rev 0)
+++ trunk/dports/science/libghemical/Portfile	2008-01-07 16:03:38 UTC (rev 32538)
@@ -0,0 +1,25 @@
+# $Id$
+
+PortSystem          1.0
+
+name                libghemical
+version             2.96
+categories          science
+platforms           darwin
+maintainers         simon
+description         Library for the ghemical port.
+long_description    $description
+
+homepage            http://www.bioinformatics.org/ghemical/libghemical/
+master_sites        http://www.bioinformatics.org/ghemical/download/current/
+checksums           md5 3b877fe22123d9df1f8f08899b9fe472 \
+                    sha1 39a55931b634f08a8493b24b17dd1372400a26ee \
+                    rmd160 c251a1d21cba0fe9dd03725e0b40b71363db3fe0
+
+# TODO: add these ports which are useful for ghemical
+# depends_lib         port:mpqc \
+#                     port:mopac7
+
+livecheck.check     regex
+livecheck.url       "${master_sites}?C=M;O=D"
+livecheck.regex     "${name}-(\\d+(?:\\.\\d+)*)${extract.suffix}"


Property changes on: trunk/dports/science/libghemical/Portfile
___________________________________________________________________
Name: svn:keywords
   + Id
Name: svn:eol-style
   + native

Added: trunk/dports/science/liboglappth/Portfile
===================================================================
--- trunk/dports/science/liboglappth/Portfile	                        (rev 0)
+++ trunk/dports/science/liboglappth/Portfile	2008-01-07 16:03:38 UTC (rev 32538)
@@ -0,0 +1,37 @@
+# $Id$
+
+PortSystem          1.0
+
+name                liboglappth
+version             0.96
+categories          science
+platforms           darwin
+maintainers         simon
+description         Library for the ghemical port.
+long_description    $description
+
+homepage            http://www.bioinformatics.org/
+master_sites        ${homepage}ghemical/download/current/
+checksums           md5 babb1907ca0a52c6879c003239701217 \
+                    sha1 bdaa47c76eee2db6cc859f135a10aabce096a45e \
+                    rmd160 2b67fb748bada63c1cc70aa21cba85d1dbd642bd
+
+depends_lib         port:glut
+
+pre-configure {
+    # If gl.h and glu.h don't exist in ${prefix}/include/GL then symlink the
+    # OpenGL files there. Doesn't really fit in pre-configure but I don't know
+    # where to put it.
+    set gl ${prefix}/include/GL
+    set opengl /System/Library/Frameworks/OpenGL.framework/Headers
+    if {![file exists ${gl}/gl.h]} {
+        file link -symbolic ${gl}/gl.h ${opengl}/gl.h
+    }
+    if {![file exists ${gl}/glu.h]} {
+        file link -symbolic ${gl}/glu.h ${opengl}/glu.h
+    }
+}
+
+livecheck.check     regex
+livecheck.url       "${master_sites}?C=M;O=D"
+livecheck.regex     "${name}-(\\d+(?:\\.\\d+)*)${extract.suffix}"


Property changes on: trunk/dports/science/liboglappth/Portfile
___________________________________________________________________
Name: svn:keywords
   + Id
Name: svn:eol-style
   + native

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