diff options
Diffstat (limited to 'science')
| -rw-r--r-- | science/ghemical/Makefile | 5 | ||||
| -rw-r--r-- | science/ghemical/pkg-plist | 15 | ||||
| -rw-r--r-- | science/libghemical/Makefile | 12 | ||||
| -rw-r--r-- | science/libghemical/pkg-plist | 11 | ||||
| -rw-r--r-- | science/libint/Makefile | 12 | ||||
| -rw-r--r-- | science/libint/pkg-plist | 3 | ||||
| -rw-r--r-- | science/mpqc/Makefile | 10 | ||||
| -rw-r--r-- | science/mpqc/pkg-plist | 104 |
8 files changed, 80 insertions, 92 deletions
diff --git a/science/ghemical/Makefile b/science/ghemical/Makefile index 05f9bfda7926..ce4032565c86 100644 --- a/science/ghemical/Makefile +++ b/science/ghemical/Makefile @@ -3,7 +3,7 @@ PORTNAME= ghemical PORTVERSION= 3.0.0 -PORTREVISION= 5 +PORTREVISION= 6 CATEGORIES= science MASTER_SITES= http://bioinformatics.org/ghemical/download/release20111012/ \ http://bioinformatics.org/ghemical/download/current @@ -25,7 +25,8 @@ USES= fortran gettext gmake pkgconfig USE_GNOME= glib20 gtk20 libglade2 USE_GL= glut GNU_CONFIGURE= yes -CONFIGURE_ARGS= --enable-gamess --enable-mpqc --enable-openbabel --enable-gtk --enable-threads --enable-mopac7 +CONFIGURE_ARGS= --enable-gamess --enable-mpqc --enable-openbabel --enable-gtk \ + --enable-threads --enable-mopac7 PLIST_SUB= GHEMICAL_VERSION="${PORTVERSION}" CPPFLAGS= -I${LOCALBASE}/include diff --git a/science/ghemical/pkg-plist b/science/ghemical/pkg-plist index 1f7cc40c7a95..2b35e04a38eb 100644 --- a/science/ghemical/pkg-plist +++ b/science/ghemical/pkg-plist @@ -151,18 +151,3 @@ share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/ghemical.png %%NLS%%share/locale/pt_BR/LC_MESSAGES/ghemical.mo %%NLS%%share/locale/ru/LC_MESSAGES/ghemical.mo %%NLS%%share/locale/sq/LC_MESSAGES/ghemical.mo -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/pixmaps -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/user-docs -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/glade -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/tautomeric_shift_keto_enol -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/sigmatropic_rearrangement_Cope -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/cycloaddition_Diels-Alder -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_methide_shift -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_hydride_shift -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/SN2-reaction -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/E2-reaction -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search -@dirrm share/ghemical/%%GHEMICAL_VERSION%%/examples -@dirrm share/ghemical/%%GHEMICAL_VERSION%% -@dirrm share/ghemical diff --git a/science/libghemical/Makefile b/science/libghemical/Makefile index 19c715ccafbf..f6ba58cbbe14 100644 --- a/science/libghemical/Makefile +++ b/science/libghemical/Makefile @@ -3,7 +3,7 @@ PORTNAME= libghemical PORTVERSION= 3.0.0 -PORTREVISION= 4 +PORTREVISION= 5 CATEGORIES= science MASTER_SITES= http://bioinformatics.org/ghemical/download/release20111012/ \ http://bioinformatics.org/ghemical/download/current @@ -11,8 +11,6 @@ MASTER_SITES= http://bioinformatics.org/ghemical/download/release20111012/ \ MAINTAINER= ports@FreeBSD.org COMMENT= Support libraries of science/ghemical port -BROKEN= Fails to configure - BUILD_DEPENDS= obabel:${PORTSDIR}/science/openbabel \ intltool-update:${PORTSDIR}/textproc/intltool \ ld:${PORTSDIR}/devel/binutils @@ -26,7 +24,13 @@ USE_LDCONFIG= yes CONFIGURE_ARGS+= --enable-mpqc CPPFLAGS+= -I${LOCALBASE}/include -LDFLAGS+= -L${LOCALBASE}/lib +LDFLAGS= -L${LOCALBASE}/lib -lSCbasis -lSCcints -lSCclass \ + -lSCcontainer -lSCdft -lSCgroup -lSCintv3 -lSCisosurf \ + -lSCkeyval -lSCmbpt -lSCmbptr12 -lSCmisc -lSCmolecule \ + -lSCoint3 -lSCoptimize -lSCoptions -lSCpsi -lSCref \ + -lSCrender -lSCscf -lSCscmat -lSCsolvent -lSCstate \ + -lSCsymmetry -lSCwfn \ + -lgfortran -lpthread -lblas -llapack PLIST_SUB= LIBGHEMICAL_VERSION="${PORTVERSION}" INSTALL_TARGET= install-strip diff --git a/science/libghemical/pkg-plist b/science/libghemical/pkg-plist index ea89ef59fc04..8239250ef4df 100644 --- a/science/libghemical/pkg-plist +++ b/science/libghemical/pkg-plist @@ -36,7 +36,6 @@ include/ghemical/typedef.h include/ghemical/typerule.h include/ghemical/utility.h include/ghemical/v3d.h -@dirrm include/ghemical lib/libghemical.so.5.0.1 lib/libghemical.so.5 lib/libghemical.so @@ -74,13 +73,3 @@ 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 -@dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/param_mm/tripos52 -@dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/param_mm/prmfit -@dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/param_mm/default -@dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/param_mm -@dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/amber -@dirrm share/libghemical/%%LIBGHEMICAL_VERSION%%/builder -@dirrm share/libghemical/%%LIBGHEMICAL_VERSION%% -@dirrm share/libghemical diff --git a/science/libint/Makefile b/science/libint/Makefile index 95e56607fe80..5edc3d5a0e2d 100644 --- a/science/libint/Makefile +++ b/science/libint/Makefile @@ -3,14 +3,21 @@ PORTNAME= libint PORTVERSION= 1.1.4 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science MASTER_SITES= http://www.files.chem.vt.edu/chem-dept/valeev/software/libint/src/ MAINTAINER= ports@FreeBSD.org COMMENT= Evaluate the integrals in modern atomic and molecular theory +# USE_GCC=yes is required because libint is used with mpqc which is built +# by gfortran48 (from lang/gcc) and these two libraries each try to pull in +# a different version of libgcc_s.so which fails. Forcing this port to +# build with lang/gcc as well resolves the conflict that manifests in +# science/libghemical + USES= perl5 gmake libtool +USE_GCC= yes USE_LDCONFIG= yes ALL_TARGET= # empty @@ -18,7 +25,8 @@ GNU_CONFIGURE= yes CONFIGURE_ARGS= --enable-shared post-patch: - @${REINPLACE_CMD} -e 's|echo aout|echo elf|' ${WRKSRC}/configure + @${REINPLACE_CMD} -e 's| -rpath|${LDFLAGS} -rpath|g' \ + ${WRKSRC}/src/lib/MakeVars.in post-install: ${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/*.so diff --git a/science/libint/pkg-plist b/science/libint/pkg-plist index e366e807a2f4..d633a2e0005f 100644 --- a/science/libint/pkg-plist +++ b/science/libint/pkg-plist @@ -15,6 +15,3 @@ lib/libr12-stable.so.1 lib/libr12-stable.so.1.0.0 lib/libr12.a lib/libr12.so -@dirrm include/libderiv -@dirrm include/libint -@dirrm include/libr12 diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile index 6929448be3e7..fd4a122a1fff 100644 --- a/science/mpqc/Makefile +++ b/science/mpqc/Makefile @@ -3,7 +3,7 @@ PORTNAME= mpqc PORTVERSION= 2.3.1 -PORTREVISION= 23 +PORTREVISION= 24 CATEGORIES= science parallel MASTER_SITES= SF @@ -16,12 +16,11 @@ GNU_CONFIGURE= yes USES= fortran gmake libtool perl5 tar:bzip2 USE_AUTOTOOLS= autoconf USE_LDCONFIG= yes -MPQC_COMMAND= ${PREFIX}/bin/mpqc CONFIGURE_ARGS+=--with-cc=${CC} \ --with-cxx=${CXX} \ --with-f77=${FC} \ - --with-include="-I${WRKDIR} -I${LOCALBASE}/include" \ + --with-include="-I${LOCALBASE}/include" \ --with-libdirs="-L${LOCALBASE}/lib ${LDFLAGS}" \ --with-blas="${BLAS}" \ --with-lapack="${LAPACK}" \ @@ -84,6 +83,11 @@ CFLAGS+= -O2 -ffast-math CXXFLAGS+= -O2 -ffast-math .endif +post-patch: + # To get so.8.0.1, we need to -version-info to show 8.1.0 + # <current>:<rev>:<age> => so.(current-age).(age).(rev) + ${REINPLACE_CMD} -e 's|\[8:0:1\]|\[8:1:0\]|' ${WRKSRC}/configure.in + do-build: (cd ${WRKSRC} && ${MAKE_CMD}) .if ${PORT_OPTIONS:MDOCS} diff --git a/science/mpqc/pkg-plist b/science/mpqc/pkg-plist index db911e95fa28..3aadea1f1740 100644 --- a/science/mpqc/pkg-plist +++ b/science/mpqc/pkg-plist @@ -353,108 +353,108 @@ include/scdirlist.h @dirrm include/chemistry lib/libSCbasis.a lib/libSCbasis.so -lib/libSCbasis.so.7 -lib/libSCbasis.so.7.1.0 +lib/libSCbasis.so.8 +lib/libSCbasis.so.8.0.1 lib/libSCcints.so -lib/libSCcints.so.7 -lib/libSCcints.so.7.1.0 +lib/libSCcints.so.8 +lib/libSCcints.so.8.0.1 lib/libSCcints.a lib/libSCclass.a lib/libSCclass.so -lib/libSCclass.so.7 -lib/libSCclass.so.7.1.0 +lib/libSCclass.so.8 +lib/libSCclass.so.8.0.1 lib/libSCcontainer.a lib/libSCcontainer.so -lib/libSCcontainer.so.7 -lib/libSCcontainer.so.7.1.0 +lib/libSCcontainer.so.8 +lib/libSCcontainer.so.8.0.1 lib/libSCdft.a lib/libSCdft.so -lib/libSCdft.so.7 -lib/libSCdft.so.7.1.0 +lib/libSCdft.so.8 +lib/libSCdft.so.8.0.1 lib/libSCgroup.a lib/libSCgroup.so -lib/libSCgroup.so.7 -lib/libSCgroup.so.7.1.0 +lib/libSCgroup.so.8 +lib/libSCgroup.so.8.0.1 lib/libSCintv3.a lib/libSCintv3.so -lib/libSCintv3.so.7 -lib/libSCintv3.so.7.1.0 +lib/libSCintv3.so.8 +lib/libSCintv3.so.8.0.1 lib/libSCisosurf.a lib/libSCisosurf.so -lib/libSCisosurf.so.7 -lib/libSCisosurf.so.7.1.0 +lib/libSCisosurf.so.8 +lib/libSCisosurf.so.8.0.1 lib/libSCkeyval.a lib/libSCkeyval.so -lib/libSCkeyval.so.7 -lib/libSCkeyval.so.7.1.0 +lib/libSCkeyval.so.8 +lib/libSCkeyval.so.8.0.1 lib/libSCmbpt.a lib/libSCmbpt.so -lib/libSCmbpt.so.7 -lib/libSCmbpt.so.7.1.0 +lib/libSCmbpt.so.8 +lib/libSCmbpt.so.8.0.1 lib/libSCmbptr12.so -lib/libSCmbptr12.so.7 -lib/libSCmbptr12.so.7.1.0 +lib/libSCmbptr12.so.8 +lib/libSCmbptr12.so.8.0.1 lib/libSCmbptr12.a lib/libSCmisc.a lib/libSCmisc.so -lib/libSCmisc.so.7 -lib/libSCmisc.so.7.1.0 +lib/libSCmisc.so.8 +lib/libSCmisc.so.8.0.1 lib/libSCmolecule.a lib/libSCmolecule.so -lib/libSCmolecule.so.7 -lib/libSCmolecule.so.7.1.0 +lib/libSCmolecule.so.8 +lib/libSCmolecule.so.8.0.1 lib/libSCoint3.a lib/libSCoint3.so -lib/libSCoint3.so.7 -lib/libSCoint3.so.7.1.0 +lib/libSCoint3.so.8 +lib/libSCoint3.so.8.0.1 lib/libSCoptimize.a lib/libSCoptimize.so -lib/libSCoptimize.so.7 -lib/libSCoptimize.so.7.1.0 +lib/libSCoptimize.so.8 +lib/libSCoptimize.so.8.0.1 lib/libSCoptions.a lib/libSCoptions.so -lib/libSCoptions.so.7 -lib/libSCoptions.so.7.1.0 +lib/libSCoptions.so.8 +lib/libSCoptions.so.8.0.1 lib/libSCpsi.a lib/libSCpsi.so -lib/libSCpsi.so.7 -lib/libSCpsi.so.7.1.0 +lib/libSCpsi.so.8 +lib/libSCpsi.so.8.0.1 lib/libSCref.a lib/libSCref.so -lib/libSCref.so.7 -lib/libSCref.so.7.1.0 +lib/libSCref.so.8 +lib/libSCref.so.8.0.1 lib/libSCrender.a lib/libSCrender.so -lib/libSCrender.so.7 -lib/libSCrender.so.7.1.0 +lib/libSCrender.so.8 +lib/libSCrender.so.8.0.1 lib/libSCscf.a lib/libSCscf.so -lib/libSCscf.so.7 -lib/libSCscf.so.7.1.0 +lib/libSCscf.so.8 +lib/libSCscf.so.8.0.1 lib/libSCscmat.a lib/libSCscmat.so -lib/libSCscmat.so.7 -lib/libSCscmat.so.7.1.0 +lib/libSCscmat.so.8 +lib/libSCscmat.so.8.0.1 lib/libSCsolvent.a lib/libSCsolvent.so -lib/libSCsolvent.so.7 -lib/libSCsolvent.so.7.1.0 +lib/libSCsolvent.so.8 +lib/libSCsolvent.so.8.0.1 lib/libSCstate.a lib/libSCstate.so -lib/libSCstate.so.7 -lib/libSCstate.so.7.1.0 +lib/libSCstate.so.8 +lib/libSCstate.so.8.0.1 lib/libSCsymmetry.a lib/libSCsymmetry.so -lib/libSCsymmetry.so.7 -lib/libSCsymmetry.so.7.1.0 +lib/libSCsymmetry.so.8 +lib/libSCsymmetry.so.8.0.1 lib/libSCwfn.a lib/libSCwfn.so -lib/libSCwfn.so.7 -lib/libSCwfn.so.7.1.0 +lib/libSCwfn.so.8 +lib/libSCwfn.so.8.0.1 lib/libmpqc.a lib/libmpqc.so -lib/libmpqc.so.7 -lib/libmpqc.so.7.1.0 +lib/libmpqc.so.8 +lib/libmpqc.so.8.0.1 %%DOCS%%man/man1/mpqc.1.gz %%DOCS%%man/man1/mpqcrun.1.gz %%DOCS%%man/man1/scls.1.gz |