diff options
| -rw-r--r-- | science/libghemical/Makefile | 23 | ||||
| -rw-r--r-- | science/libghemical/distinfo | 6 | ||||
| -rw-r--r-- | science/libghemical/pkg-plist | 44 |
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 |