3 files changed, 43 insertions, 30 deletions

diff --git a/science/libghemical/Makefile b/science/libghemical/Makefile
index 65ff217cf2d0..29d74deadf09 100644
--- a/science/libghemical/Makefile
+++ b/science/libghemical/Makefile
@@ -5,7 +5,7 @@
 # $FreeBSD$
 
 PORTNAME=	libghemical
-PORTVERSION=	2.00
+PORTVERSION=	2.10
 CATEGORIES=	science
 MASTER_SITES=	http://www.uku.fi/~thassine/projects/download/ \
 		http://bioinformatics.org/ghemical/download/
@@ -21,15 +21,26 @@ BUILD_DEPENDS=	${LOCALBASE}/lib/libmpqc.a:${PORTSDIR}/science/mpqc \
 USE_GMAKE=	yes
 USE_GNOME=	pkgconfig
 GNU_CONFIGURE=	yes
-CONFIGURE_ARGS=	--enable-mopac7 --enable-mpqc --enable-openbabel \
-		--with-blas="-L${LOCALBASE}/lib -lf77blas -lcblas -latlas" \
-		--with-lapack=-lalapack
+
+.include <bsd.port.pre.mk>
+
+.if exists(${LOCALBASE}/lib/libatlas_r.so) && !defined(WITH_BLAS)
+WITH_ATLAS=	yes
+.endif
+.if defined(WITH_ATLAS)
+LIB_DEPENDS+=	atlas.1:${PORTSDIR}/math/atlas
+CONFIGURE_ARGS+=	--with-blas="-L${LOCALBASE}/lib -lf77blas -lcblas -latlas" \
+			--with-lapack=-lalapack
+.else
+LIB_DEPENDS+=		blas.1:${PORTSDIR}/math/blas
+CONFIGURE_ARGS+=	--with-blas="-L${LOCALBASE}/lib -lblas" \
+			--with-lapack=-lapack
+.endif
+CONFIGURE_ARGS+=	--enable-mopac7 --enable-mpqc --enable-openbabel
 
 USE_AUTOTOOLS=	autoconf:259
 PLIST_SUB=	LIBGHEMICAL_VERSION="${PORTVERSION}"
 
-.include <bsd.port.pre.mk>
-
 pre-configure:
 	@cd ${WRKDIR}/${DISTNAME} ; ${AUTOCONF}
 
diff --git a/science/libghemical/distinfo b/science/libghemical/distinfo
index 5e9297d4fb33..c23da640d46f 100644
--- a/science/libghemical/distinfo
+++ b/science/libghemical/distinfo
@@ -1,3 +1,3 @@
-MD5 (libghemical-2.00.tar.gz) = 19ee087b6f3c0ce816ed1722b4a5b002
-SHA256 (libghemical-2.00.tar.gz) = e873b3042df75fa1c9f37fc99f2ff14227965ed13c7680169f714ab6575d5f21
-SIZE (libghemical-2.00.tar.gz) = 629479
+MD5 (libghemical-2.10.tar.gz) = a248fc3aebf26582367326716f208594
+SHA256 (libghemical-2.10.tar.gz) = b0d6639d3b79f865cffb8cf4c2721f6bc7e81c562240a10441766358f4576a7e
+SIZE (libghemical-2.10.tar.gz) = 690680
diff --git a/science/libghemical/pkg-plist b/science/libghemical/pkg-plist
index 99a3ff4150e5..67aefaa2f024 100644
--- a/science/libghemical/pkg-plist
+++ b/science/libghemical/pkg-plist
@@ -1,37 +1,39 @@
-include/ghemical/libghemicaldefine.h
-include/ghemical/libghemicalconfig2.h
-include/ghemical/typedef.h
-include/ghemical/v3d.h
 include/ghemical/atom.h
 include/ghemical/bond.h
+include/ghemical/chn_info.h   
+include/ghemical/conjgrad.h
 include/ghemical/constraint.h
-include/ghemical/model.h
-include/ghemical/engine.h
-include/ghemical/typerule.h
-include/ghemical/utility.h
-include/ghemical/seqbuild.h
-include/ghemical/eng1_qm.h
-include/ghemical/eng1_qm_mpqc.h
-include/ghemical/eng1_qm_mopac.h
 include/ghemical/eng1_mm.h
-include/ghemical/eng1_mm_tripos52.h
-include/ghemical/tab_mm_tripos52.h
 include/ghemical/eng1_mm_default.h
-include/ghemical/tab_mm_default.h
 include/ghemical/eng1_mm_prmfit.h
-include/ghemical/tab_mm_prmfit.h
+include/ghemical/eng1_mm_tripos52.h
+include/ghemical/eng1_qm.h
+include/ghemical/eng1_qm_mopac.h
+include/ghemical/eng1_qm_mpqc.h
 include/ghemical/eng1_sf.h
-include/ghemical/eng1_sf_ua.h
 include/ghemical/eng1_sf_cg.h
+include/ghemical/eng1_sf_ua.h
 include/ghemical/eng2_qm_mm.h
-include/ghemical/notice.h
-include/ghemical/conjgrad.h
-include/ghemical/intcrd.h
-include/ghemical/search.h
+include/ghemical/engine.h
 include/ghemical/geomopt.h
+include/ghemical/intcrd.h
+include/ghemical/libghemicalconfig2.h
+include/ghemical/libghemicaldefine.h
+include/ghemical/mfinder.h
+include/ghemical/model.h
 include/ghemical/moldyn.h
+include/ghemical/notice.h
 include/ghemical/pop_ana.h
 include/ghemical/resonance.h
+include/ghemical/search.h
+include/ghemical/seqbuild.h
+include/ghemical/tab_mm_default.h
+include/ghemical/tab_mm_prmfit.h
+include/ghemical/tab_mm_tripos52.h
+include/ghemical/typedef.h
+include/ghemical/typerule.h
+include/ghemical/utility.h
+include/ghemical/v3d.h
 @dirrm include/ghemical
 lib/libghemical.so.0
 lib/libghemical.la