From 415856bdd4f48ab4f2732996f0bae58595092bbe Mon Sep 17 00:00:00 2001
From: Parabola <dev@list.parabolagnulinux.org>
Date: Tue, 5 Apr 2011 14:26:38 +0000
Subject: Tue Apr  5 14:26:38 UTC 2011

---
 community/libghemical/PKGBUILD      | 25 +++++++++++++++++++++++++
 community/libghemical/sasaeval.diff | 21 +++++++++++++++++++++
 2 files changed, 46 insertions(+)
 create mode 100644 community/libghemical/PKGBUILD
 create mode 100644 community/libghemical/sasaeval.diff

(limited to 'community/libghemical')

diff --git a/community/libghemical/PKGBUILD b/community/libghemical/PKGBUILD
new file mode 100644
index 000000000..cf0a8df0f
--- /dev/null
+++ b/community/libghemical/PKGBUILD
@@ -0,0 +1,25 @@
+# $Id: PKGBUILD 13759 2010-03-27 17:00:03Z xyne $
+# Maintainer: Abhishek Dasgupta <abhidg@gmail.com>
+# Contributor: Abhishek Dasgupta <abhidg@gmail.com>
+
+pkgname=libghemical
+pkgver=2.99.1
+pkgrel=1
+pkgdesc="Library containing computational chemistry facility of ghemical"
+license=("GPL")
+arch=(i686 x86_64)
+url="http://bioinformatics.org/ghemical/libghemical/"
+depends=('gcc-libs')
+makedepends=('openbabel' 'intltool>=0.40.0')
+options=(!libtool)
+source=(http://bioinformatics.org/ghemical/download/current/${pkgname}-${pkgver}.tar.gz sasaeval.diff)
+md5sums=('d2dae2d7d786d3cba335cb29d85033ea'
+         '4c520ded165acc14b5477a55541554ef')
+
+build() {
+  cd ${startdir}/src/${pkgname}-${pkgver}/
+  #patch -p1 -i ${srcdir}/sasaeval.diff || return 1
+  ./configure --prefix=/usr --enable-openbabel
+  make || return 1
+  make DESTDIR=${startdir}/pkg install || return 1
+}
\ No newline at end of file
diff --git a/community/libghemical/sasaeval.diff b/community/libghemical/sasaeval.diff
new file mode 100644
index 000000000..fe719f8d9
--- /dev/null
+++ b/community/libghemical/sasaeval.diff
@@ -0,0 +1,21 @@
+--- a/src/sasaeval.cpp	2008-08-01 09:39:01.000000000 +0530
++++ b/src/sasaeval.cpp	2008-08-01 09:40:33.000000000 +0530
+@@ -21,6 +21,8 @@
+ #include "sasaeval.h"
+ 
+ #include "engine.h"
++#include <algorithm>
++using namespace std;
+ 
+ // the surface area code apparently contains some bugs, since it sometimes
+ // crashes. another possibility is that the surface area math contains some
+--- a/src/sasaeval.h	2008-07-31 00:40:08.000000000 +0530
++++ b/src/sasaeval.h	2008-08-01 09:40:04.000000000 +0530
+@@ -24,6 +24,7 @@
+ #define SASAEVAL_H
+ 
+ #include "typedef.h"
++#include <stdlib.h>
+ 
+ struct cg_nbt3_nl;	// SASA neighbor list.
+ 
-- 
cgit v1.2.3-54-g00ecf