4 files changed, 8 insertions, 175 deletions

diff --git a/science/libghemical/Makefile b/science/libghemical/Makefile
index 127b2fe16847..d874367e620f 100644
--- a/science/libghemical/Makefile
+++ b/science/libghemical/Makefile
@@ -2,17 +2,15 @@
 # $FreeBSD$
 
 PORTNAME=	libghemical
-PORTVERSION=	2.99.1
-PORTREVISION=	3
+PORTVERSION=	3.0.0
 CATEGORIES=	science
-MASTER_SITES=	http://www.uku.fi/~thassine/projects/download/release20090911/ \
-		http://bioinformatics.org/ghemical/download/
-
+MASTER_SITES=	http://bioinformatics.org/ghemical/download/release20111012/	\
+		http://bioinformatics.org/ghemical/download/current
+		
 MAINTAINER=	maho@FreeBSD.org
 COMMENT=	Support libraries of science/ghemical port
 
 BUILD_DEPENDS=	obabel:${PORTSDIR}/science/openbabel \
-		mopac7:${PORTSDIR}/biology/mopac \
 		intltool-update:${PORTSDIR}/textproc/intltool \
 		ld:${PORTSDIR}/devel/binutils
 LIB_DEPENDS+=	mpqc:${PORTSDIR}/science/mpqc \
diff --git a/science/libghemical/distinfo b/science/libghemical/distinfo
index 4c786f3fe61a..0be1e69b88f6 100644
--- a/science/libghemical/distinfo
+++ b/science/libghemical/distinfo
@@ -1,2 +1,2 @@
-SHA256 (libghemical-2.99.1.tar.gz) = f9b6df3c1e98a524f90644ebaaebb804792f391ca383c0f92b609060dc485d9f
-SIZE (libghemical-2.99.1.tar.gz) = 778812
+SHA256 (libghemical-3.0.0.tar.gz) = db8c3add0aa1f94c21016d60fa3f66fb194e56b8e9fceaa3860c603700efc3ac
+SIZE (libghemical-3.0.0.tar.gz) = 787947
diff --git a/science/libghemical/files/patch-configure b/science/libghemical/files/patch-configure
deleted file mode 100644
index 632462e3bc5f..000000000000
--- a/science/libghemical/files/patch-configure
+++ /dev/null
@@ -1,167 +0,0 @@
---- configure	2009-09-11 21:25:42.000000000 +0900
-+++ configure	2010-09-19 11:02:25.000000000 +0900
-@@ -22644,144 +22644,8 @@
- 
- 
- if test $enable_mpqc = yes; then
--
--{ echo "$as_me:$LINENO: checking for main in -lblas" >&5
--echo $ECHO_N "checking for main in -lblas... $ECHO_C" >&6; }
--if test "${ac_cv_lib_blas_main+set}" = set; then
--  echo $ECHO_N "(cached) $ECHO_C" >&6
--else
--  ac_check_lib_save_LIBS=$LIBS
--LIBS="-lblas  $LIBS"
--cat >conftest.$ac_ext <<_ACEOF
--/* confdefs.h.  */
--_ACEOF
--cat confdefs.h >>conftest.$ac_ext
--cat >>conftest.$ac_ext <<_ACEOF
--/* end confdefs.h.  */
--
--
--int
--main ()
--{
--return main ();
--  ;
--  return 0;
--}
--_ACEOF
--rm -f conftest.$ac_objext conftest$ac_exeext
--if { (ac_try="$ac_link"
--case "(($ac_try" in
--  *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
--  *) ac_try_echo=$ac_try;;
--esac
--eval "echo \"\$as_me:$LINENO: $ac_try_echo\"") >&5
--  (eval "$ac_link") 2>conftest.er1
--  ac_status=$?
--  grep -v '^ *+' conftest.er1 >conftest.err
--  rm -f conftest.er1
--  cat conftest.err >&5
--  echo "$as_me:$LINENO: \$? = $ac_status" >&5
--  (exit $ac_status); } && {
--	 test -z "$ac_c_werror_flag" ||
--	 test ! -s conftest.err
--       } && test -s conftest$ac_exeext &&
--       $as_test_x conftest$ac_exeext; then
--  ac_cv_lib_blas_main=yes
--else
--  echo "$as_me: failed program was:" >&5
--sed 's/^/| /' conftest.$ac_ext >&5
--
--	ac_cv_lib_blas_main=no
--fi
--
--rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \
--      conftest$ac_exeext conftest.$ac_ext
--LIBS=$ac_check_lib_save_LIBS
--fi
--{ echo "$as_me:$LINENO: result: $ac_cv_lib_blas_main" >&5
--echo "${ECHO_T}$ac_cv_lib_blas_main" >&6; }
--if test $ac_cv_lib_blas_main = yes; then
--  cat >>confdefs.h <<_ACEOF
--#define HAVE_LIBBLAS 1
--_ACEOF
--
--  LIBS="-lblas $LIBS"
--
--else
--  { { echo "$as_me:$LINENO: error: Cannot find blas library needed for MPQC support" >&5
--echo "$as_me: error: Cannot find blas library needed for MPQC support" >&2;}
--   { (exit 1); exit 1; }; }
--fi
--
--
--{ echo "$as_me:$LINENO: checking for main in -llapack" >&5
--echo $ECHO_N "checking for main in -llapack... $ECHO_C" >&6; }
--if test "${ac_cv_lib_lapack_main+set}" = set; then
--  echo $ECHO_N "(cached) $ECHO_C" >&6
--else
--  ac_check_lib_save_LIBS=$LIBS
--LIBS="-llapack  $LIBS"
--cat >conftest.$ac_ext <<_ACEOF
--/* confdefs.h.  */
--_ACEOF
--cat confdefs.h >>conftest.$ac_ext
--cat >>conftest.$ac_ext <<_ACEOF
--/* end confdefs.h.  */
--
--
--int
--main ()
--{
--return main ();
--  ;
--  return 0;
--}
--_ACEOF
--rm -f conftest.$ac_objext conftest$ac_exeext
--if { (ac_try="$ac_link"
--case "(($ac_try" in
--  *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;;
--  *) ac_try_echo=$ac_try;;
--esac
--eval "echo \"\$as_me:$LINENO: $ac_try_echo\"") >&5
--  (eval "$ac_link") 2>conftest.er1
--  ac_status=$?
--  grep -v '^ *+' conftest.er1 >conftest.err
--  rm -f conftest.er1
--  cat conftest.err >&5
--  echo "$as_me:$LINENO: \$? = $ac_status" >&5
--  (exit $ac_status); } && {
--	 test -z "$ac_c_werror_flag" ||
--	 test ! -s conftest.err
--       } && test -s conftest$ac_exeext &&
--       $as_test_x conftest$ac_exeext; then
--  ac_cv_lib_lapack_main=yes
--else
--  echo "$as_me: failed program was:" >&5
--sed 's/^/| /' conftest.$ac_ext >&5
--
--	ac_cv_lib_lapack_main=no
--fi
--
--rm -f core conftest.err conftest.$ac_objext conftest_ipa8_conftest.oo \
--      conftest$ac_exeext conftest.$ac_ext
--LIBS=$ac_check_lib_save_LIBS
--fi
--{ echo "$as_me:$LINENO: result: $ac_cv_lib_lapack_main" >&5
--echo "${ECHO_T}$ac_cv_lib_lapack_main" >&6; }
--if test $ac_cv_lib_lapack_main = yes; then
--  cat >>confdefs.h <<_ACEOF
--#define HAVE_LIBLAPACK 1
--_ACEOF
--
--  LIBS="-llapack $LIBS"
--
--else
--  { { echo "$as_me:$LINENO: error: Cannot find lapack library needed for MPQC support" >&5
--echo "$as_me: error: Cannot find lapack library needed for MPQC support" >&2;}
--   { (exit 1); exit 1; }; }
--fi
--
-+	#AC_CHECK_LIB([blas], [main],, AC_MSG_ERROR([Cannot find blas library needed for MPQC support]))
-+	#AC_CHECK_LIB([lapack], [main],, AC_MSG_ERROR([Cannot find lapack library needed for MPQC support]))
- 
- # Check whether --with-sc-prefix was given.
- if test "${with_sc_prefix+set}" = set; then
-@@ -23125,7 +22989,7 @@
- #define SC_MICRO_VERSION $SC_MICRO_VERSION
- _ACEOF
- 
--		CPPFLAGS="$CPPFLAGS $SC_CPPFLAGS"
-+		CXXFLAGS="$CXXFLAGS $SC_CPPFLAGS"
- 		LIBS="$LIBS $SC_LIBS"
- 	else { { echo "$as_me:$LINENO: error: Cannot find proper SC version" >&5
- echo "$as_me: error: Cannot find proper SC version" >&2;}
-@@ -23254,7 +23118,7 @@
- 	##alt	MOPAC7_CFLAGS=`$PKG_CONFIG --cflags libmopac7`
- 	##alt	MOPAC7_LIBS=`$PKG_CONFIG --libs libmopac7`
- 
--	CPPFLAGS="$CPPFLAGS $MOPAC7_CFLAGS"
-+	CXXFLAGS="$CXXLAGS $MOPAC7_CFLAGS"
- 	LIBS="$LIBS $MOPAC7_LIBS"
- 
- 	REQUISITIONS="$REQUISITIONS libmopac7"
diff --git a/science/libghemical/pkg-plist b/science/libghemical/pkg-plist
index 83b1ca688f2d..91c1ece8d110 100644
--- a/science/libghemical/pkg-plist
+++ b/science/libghemical/pkg-plist
@@ -68,9 +68,11 @@ share/libghemical/%%LIBGHEMICAL_VERSION%%/param_mm/tripos52/parameters5.txt
 share/libghemical/%%LIBGHEMICAL_VERSION%%/param_sf/default/loopdip.txt
 share/libghemical/%%LIBGHEMICAL_VERSION%%/param_sf/default/looptor.txt
 share/libghemical/%%LIBGHEMICAL_VERSION%%/param_sf/default/nonbonded.txt
+share/locale/de/LC_MESSAGES/libghemical.mo
 share/locale/fi/LC_MESSAGES/libghemical.mo
 share/locale/mk/LC_MESSAGES/libghemical.mo
 share/locale/pt_BR/LC_MESSAGES/libghemical.mo
+share/locale/ru/LC_MESSAGES/libghemical.mo
 share/locale/sq/LC_MESSAGES/libghemical.mo
 @dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/param_sf/default
 @dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/param_sf