Date: Tue, 16 Dec 2014 22:10:24 +0000 (UTC) From: Pawel Pekala <pawel@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r374828 - in head: biology/mopac biology/mopac/files science/ghemical science/ghemical/files science/libghemical Message-ID: <201412162210.sBGMAOBY041381@svn.freebsd.org>
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Author: pawel Date: Tue Dec 16 22:10:23 2014 New Revision: 374828 URL: https://svnweb.freebsd.org/changeset/ports/374828 QAT: https://qat.redports.org/buildarchive/r374828/ Log: - Upadate biology/mopac to version 1.15 - Bump affected ports - Switch ports to new mastersite, add LICENSE - Reformat ports pkg descriptions PR: 194493 Submitted by: tkato432@yahoo.com Added: head/science/ghemical/files/patch-src__project.h (contents, props changed) Deleted: head/biology/mopac/files/ Modified: head/biology/mopac/Makefile head/biology/mopac/distinfo head/biology/mopac/pkg-descr head/biology/mopac/pkg-plist head/science/ghemical/Makefile head/science/ghemical/pkg-descr head/science/ghemical/pkg-plist head/science/libghemical/Makefile Modified: head/biology/mopac/Makefile ============================================================================== --- head/biology/mopac/Makefile Tue Dec 16 22:06:33 2014 (r374827) +++ head/biology/mopac/Makefile Tue Dec 16 22:10:23 2014 (r374828) @@ -3,35 +3,32 @@ PORTNAME= mopac PORTVERSION= 7.${MOPAC_SUBVERSION} -PORTREVISION= 4 PORTEPOCH= 1 CATEGORIES= biology -MASTER_SITES= SF/${PORTNAME}7/${PORTNAME}7/${PORTNAME}7-1.00 -DISTNAME= ${PORTNAME}7-${MOPAC_SUBVERSION} +MASTER_SITES= http://bioinformatics.org/ghemical/download/%SUBDIR%/ +MASTER_SITE_SUBDIR= release20111012 current +DISTNAME= mopac7-${MOPAC_SUBVERSION} MAINTAINER= ports@FreeBSD.org COMMENT= Semi-empirical (MNDO, etc.) molecular orbital calculation -LIB_DEPENDS= libf2c.so:${PORTSDIR}/lang/f2c +LICENSE= GPLv2 # (or later) -USES= gmake libtool -USE_AUTOTOOLS= aclocal automake autoconf libtoolize -ACLOCAL_ARGS= -I ${LOCALBASE}/share/aclocal -AUTOMAKE_ARGS= --add-missing --copy +USES= fortran gmake libtool pathfix +GNU_CONFIGURE= yes +INSTALL_TARGET= install-strip USE_LDCONFIG= yes CPPFLAGS+= -I${LOCALBASE}/include LDFLAGS+= -L${LOCALBASE}/lib -MOPAC_SUBVERSION= 1.11 - PORTEXAMPLES= * OPTIONS_DEFINE= EXAMPLES +MOPAC_SUBVERSION= 1.15 + post-patch: - @${REINPLACE_CMD} -e '/pkgconfig/s|$$(libdir)|$$(prefix)/libdata|g' \ - ${WRKSRC}/Makefile.am @${REINPLACE_CMD} -e '/usage/s|run_||g' \ -e 's|./src/mopac7|${PREFIX}/libexec/mopac7|g' \ ${WRKSRC}/run_${PORTNAME}7 @@ -39,10 +36,9 @@ post-patch: post-install: ${INSTALL_SCRIPT} ${WRKSRC}/run_${PORTNAME}7 \ ${STAGEDIR}${PREFIX}/bin/${PORTNAME}7 - ${INSTALL_PROGRAM} ${WRKSRC}/src/.libs/${PORTNAME}7 \ + ${INSTALL_PROGRAM} ${WRKSRC}/fortran/.libs/${PORTNAME}7 \ ${STAGEDIR}${PREFIX}/libexec/${PORTNAME}7 @${MKDIR} ${STAGEDIR}${EXAMPLESDIR}/test ${INSTALL_DATA} ${WRKSRC}/tests/*.dat ${STAGEDIR}${EXAMPLESDIR}/test - @${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/libmopac7.so.0 .include <bsd.port.mk> Modified: head/biology/mopac/distinfo ============================================================================== --- head/biology/mopac/distinfo Tue Dec 16 22:06:33 2014 (r374827) +++ head/biology/mopac/distinfo Tue Dec 16 22:10:23 2014 (r374828) @@ -1,2 +1,2 @@ -SHA256 (mopac7-1.11.tar.gz) = 56dd55fc7e00e74095200b67aed1e9f0d06daa5b71dccdf944b5de5830d31921 -SIZE (mopac7-1.11.tar.gz) = 1157353 +SHA256 (mopac7-1.15.tar.gz) = 6d7ac5d78522db70f7794fd816cea32829cfa9e93774202fe80ba5a54375fbaa +SIZE (mopac7-1.15.tar.gz) = 764547 Modified: head/biology/mopac/pkg-descr ============================================================================== --- head/biology/mopac/pkg-descr Tue Dec 16 22:06:33 2014 (r374827) +++ head/biology/mopac/pkg-descr Tue Dec 16 22:10:23 2014 (r374828) @@ -1,4 +1,4 @@ -MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) -quantum-chemical calculation written by James J. P. Stewart and co-workers. +MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) quantum-chemical +calculation written by James J. P. Stewart and co-workers. -WWW: http://sourceforge.net/projects/mopac7/ +WWW: http://bioinformatics.org/ghemical/ Modified: head/biology/mopac/pkg-plist ============================================================================== --- head/biology/mopac/pkg-plist Tue Dec 16 22:06:33 2014 (r374827) +++ head/biology/mopac/pkg-plist Tue Dec 16 22:10:23 2014 (r374828) @@ -2,7 +2,7 @@ bin/mopac7 include/mopac7/libmopac7.h lib/libmopac7.a lib/libmopac7.so -lib/libmopac7.so.0 -lib/libmopac7.so.0.0.0 +lib/libmopac7.so.1 +lib/libmopac7.so.1.0.13 libdata/pkgconfig/libmopac7.pc libexec/mopac7 Modified: head/science/ghemical/Makefile ============================================================================== --- head/science/ghemical/Makefile Tue Dec 16 22:06:33 2014 (r374827) +++ head/science/ghemical/Makefile Tue Dec 16 22:10:23 2014 (r374828) @@ -3,40 +3,37 @@ PORTNAME= ghemical PORTVERSION= 3.0.0 -PORTREVISION= 7 +PORTREVISION= 8 CATEGORIES= science -MASTER_SITES= http://bioinformatics.org/ghemical/download/release20111012/ \ - http://bioinformatics.org/ghemical/download/current +MASTER_SITES= http://bioinformatics.org/ghemical/download/%SUBDIR%/ +MASTER_SITE_SUBDIR= release20111012 current MAINTAINER= ports@FreeBSD.org -COMMENT= Ghemical is a computational chemistry software package +COMMENT= Computational chemistry software package -BUILD_DEPENDS= f2c:${PORTSDIR}/lang/f2c \ - obabel:${PORTSDIR}/science/openbabel \ - ld:${PORTSDIR}/devel/binutils -RUN_DEPENDS= f2c:${PORTSDIR}/lang/f2c -LIB_DEPENDS= libmpqc.so:${PORTSDIR}/science/mpqc \ - libgtkglext-x11-1.0.so:${PORTSDIR}/x11-toolkits/gtkglext \ +LICENSE= GPLv2 # (or later) + +LIB_DEPENDS= libmopac7.so:${PORTSDIR}/biology/mopac \ libghemical.so:${PORTSDIR}/science/libghemical \ liboglappth.so:${PORTSDIR}/science/liboglappth \ - libmopac7.so:${PORTSDIR}/biology/mopac - -USES= fortran gettext gmake pkgconfig -USE_GNOME= glib20 gtk20 libglade2 -USE_GL= glut + libmpqc.so:${PORTSDIR}/science/mpqc \ + libopenbabel.so:${PORTSDIR}/science/openbabel \ + libgtkglext-x11-1.0.so:${PORTSDIR}/x11-toolkits/gtkglext +RUN_DEPENDS= xdg-open:${PORTSDIR}/devel/xdg-utils + +USES= fortran gettext gmake pathfix pkgconfig +USE_GNOME= gtk20 libglade2 +USE_GL= glu GNU_CONFIGURE= yes -CONFIGURE_ARGS= --enable-gamess --enable-mpqc --enable-openbabel --enable-gtk \ - --enable-threads --enable-mopac7 -PLIST_SUB= GHEMICAL_VERSION="${PORTVERSION}" +CONFIGURE_ARGS= --enable-gtk --enable-threads --enable-openbabel -CPPFLAGS= -I${LOCALBASE}/include +CPPFLAGS+= -I${LOCALBASE}/include +LDFLAGS+= -L${LOCALBASE}/lib -MAKE_ENV= PKG_CONFIG=${LOCALBASE}/pkg-config - -OPTIONS_DEFINE= NLS -OPTIONS_SUB= yes +PLIST_SUB= GHEMICAL_VERSION="${PORTVERSION}" -NLS_USES= gettext -NLS_CONFIGURE_ENABLE= nls +post-patch: + @${REINPLACE_CMD} -e \ + 's|"mozilla "|"xdg-open "|' ${WRKSRC}/src/gtk_app.cpp .include <bsd.port.mk> Added: head/science/ghemical/files/patch-src__project.h ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/ghemical/files/patch-src__project.h Tue Dec 16 22:10:23 2014 (r374828) @@ -0,0 +1,33 @@ +--- src/project.h.orig ++++ src/project.h +@@ -122,6 +122,14 @@ + graphical user interface. + */ + ++class project; ++ ++bool ReadGPR_OLD(project &, istream &, bool, bool = false); ///< this is for the very old version. ++bool ReadGPR_v100(project &, istream &, bool, bool = false); ///< this is for the version 1.00. ++bool ReadGPR_v110(project &, istream &, bool, bool = false); ///< this is for the version 1.10. ++/// This is an input function for the v1.11 ghemical file format. ++bool ReadGPR(project &, istream &, bool, bool = false); ++ + class project : + public custom_transformer_client, + public model +@@ -207,11 +215,11 @@ + + // methods for file I/O : ReadGPR and WriteGPR are friend functions so that it would be easier to "borrow" them elsewhere... + // ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +- friend bool ReadGPR_OLD(project &, istream &, bool, bool = false); ///< this is for the very old version. +- friend bool ReadGPR_v100(project &, istream &, bool, bool = false); ///< this is for the version 1.00. +- friend bool ReadGPR_v110(project &, istream &, bool, bool = false); ///< this is for the version 1.10. ++ friend bool ReadGPR_OLD(project &, istream &, bool, bool); ///< this is for the very old version. ++ friend bool ReadGPR_v100(project &, istream &, bool, bool); ///< this is for the version 1.00. ++ friend bool ReadGPR_v110(project &, istream &, bool, bool); ///< this is for the version 1.10. + /// This is an input function for the v1.11 ghemical file format. +- friend bool ReadGPR(project &, istream &, bool, bool = false); ++ friend bool ReadGPR(project &, istream &, bool, bool); + + friend void WriteGPR_v100(project &, ostream &); ///< this is for the version 1.00. + /// This is an output function for the v1.11 ghemical file format. Modified: head/science/ghemical/pkg-descr ============================================================================== --- head/science/ghemical/pkg-descr Tue Dec 16 22:06:33 2014 (r374827) +++ head/science/ghemical/pkg-descr Tue Dec 16 22:10:23 2014 (r374828) @@ -1,8 +1,8 @@ Ghemical is a computational chemistry software package, -Ghemical relies on external code to provide the quantum-mechanical calculations. -Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package, -and are included in the source distribution. The -MPQC package (GNU GPL) is used to provide ab initio methods. +Ghemical relies on external code to provide the quantum-mechanical +calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come +from the MOPAC7 package, and are included in the source distribution. +The MPQC package (GNU GPL) is used to provide ab initio methods. -WWW: http://www.uku.fi/~thassine/projects/ghemical/ +WWW: http://bioinformatics.org/ghemical/ Modified: head/science/ghemical/pkg-plist ============================================================================== --- head/science/ghemical/pkg-plist Tue Dec 16 22:06:33 2014 (r374827) +++ head/science/ghemical/pkg-plist Tue Dec 16 22:10:23 2014 (r374828) @@ -1,153 +1,153 @@ bin/ghemical -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/2atoms_unbonded.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_ci.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_menu.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_note.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_w_h.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_wo_h.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/add_hydrogens.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/add_hydrogens_select.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/change_bond_dialog.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/ci_plane.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/clipping1.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/clipping2.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane1.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane2.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane_optimized.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane_unoptimized.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/enlevdiag.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion1.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion2.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion3.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion4.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_mm.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_qm.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_select.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_select_obj.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/formula.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/formula_select.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/geometry_op_dialog.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/geometry_optimization_select.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/labels_menu.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/mainmenu.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/maintools.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/md_dialog.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/modal.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/ribbon.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/notebook.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/optimized_ethane.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/remove_hydrogens.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/sequence_builder.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/setup1.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/setup2.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/setup_select.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/toplevel.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/traj_dialog.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_01.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_02.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_03.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_04.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_05.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_06.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_07.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_08.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_09.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_10.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_11.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/window.png -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/documentation.css -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/MD.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/MD_viewer.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/aa_table.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/add_hydrogens.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/conf_search_tools.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/energy_vs_torsion.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/filetypes.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/formula.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/geometry_optimization.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/import_types.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/index.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/introduction.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/labels.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/measure.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/perspective.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/references.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/ribbon.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/sequence_builder.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/setup_dialog.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/using_mm.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/using_qm.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/using_sf.html -share/ghemical/%%GHEMICAL_VERSION%%/user-docs/visualization.html -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/E2-reaction/products.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/E2-reaction/reactants.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/E2-reaction/ts.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/SN2-reaction/products.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/SN2-reaction/reactants.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/SN2-reaction/ts.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/2-chlorobutane.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/3-phenylpropanal.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/PeriodicTable.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/acetylsalicylic_acid.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/alpha-pinene.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/bromobenzene.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/camphor.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/cinnamaldehyde.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/cis-2-pentene.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/cyclohexane.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/dna_AGTC.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/naphtalene.gpr -share/ghemical/%%GHEMICAL_VERSION%%/examples/rna_aguc.gpr -share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_file_export_dialog.glade -share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_file_import_dialog.glade -share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_geomopt_dialog.glade -share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_moldyn_dialog.glade -share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_progress_dialog.glade -share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_setup_dialog.glade 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-share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/residue.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/rotate_xy.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/rotate_z.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/select.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/setup.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/transl_xy.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/transl_z.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/zoom.xpm -share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/ghemical.png -%%NLS%%share/locale/de/LC_MESSAGES/ghemical.mo -%%NLS%%share/locale/fi/LC_MESSAGES/ghemical.mo -%%NLS%%share/locale/mk/LC_MESSAGES/ghemical.mo -%%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 +%%DATADIR%%/%%GHEMICAL_VERSION%%/examples/2-chlorobutane.gpr +%%DATADIR%%/%%GHEMICAL_VERSION%%/examples/3-phenylpropanal.gpr +%%DATADIR%%/%%GHEMICAL_VERSION%%/examples/PeriodicTable.gpr 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+%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/remove_hydrogens.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/ribbon.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/sequence_builder.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/setup1.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/setup2.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/setup_select.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/toplevel.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/traj_dialog.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_01.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_02.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_03.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_04.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_05.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_06.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_07.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_08.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_09.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_10.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_11.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/images/window.png +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/import_types.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/index.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/introduction.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/labels.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/measure.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/perspective.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/references.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/ribbon.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/sequence_builder.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/setup_dialog.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/using_mm.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/using_qm.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/using_sf.html +%%DATADIR%%/%%GHEMICAL_VERSION%%/user-docs/visualization.html +share/locale/de/LC_MESSAGES/ghemical.mo +share/locale/fi/LC_MESSAGES/ghemical.mo +share/locale/mk/LC_MESSAGES/ghemical.mo +share/locale/pt_BR/LC_MESSAGES/ghemical.mo +share/locale/ru/LC_MESSAGES/ghemical.mo +share/locale/sq/LC_MESSAGES/ghemical.mo Modified: head/science/libghemical/Makefile ============================================================================== --- head/science/libghemical/Makefile Tue Dec 16 22:06:33 2014 (r374827) +++ head/science/libghemical/Makefile Tue Dec 16 22:10:23 2014 (r374828) @@ -6,7 +6,7 @@ PORTVERSION= 3.0.0 PORTREVISION= 6 CATEGORIES= science MASTER_SITES= http://bioinformatics.org/ghemical/download/release20111012/ \ - http://bioinformatics.org/ghemical/download/current + http://bioinformatics.org/ghemical/download/current/ MAINTAINER= ports@FreeBSD.org COMMENT= Support libraries of science/ghemical port @@ -14,17 +14,17 @@ COMMENT= Support libraries of science/gh BUILD_DEPENDS= obabel:${PORTSDIR}/science/openbabel \ intltool-update:${PORTSDIR}/textproc/intltool \ ld:${PORTSDIR}/devel/binutils -LIB_DEPENDS+= libmpqc.so:${PORTSDIR}/science/mpqc \ +LIB_DEPENDS= libmpqc.so:${PORTSDIR}/science/mpqc \ libf2c.so:${PORTSDIR}/lang/f2c USES= fortran gettext gmake pathfix pkgconfig libtool USE_GL= gl GNU_CONFIGURE= yes -USE_LDCONFIG= yes +USE_LDCONFIG= yes CONFIGURE_ARGS+= --enable-mpqc CPPFLAGS+= -I${LOCALBASE}/include -LDFLAGS= -L${LOCALBASE}/lib -lSCbasis -lSCcints -lSCclass \ +LDFLAGS+= -L${LOCALBASE}/lib -lSCbasis -lSCcints -lSCclass \ -lSCcontainer -lSCdft -lSCgroup -lSCintv3 -lSCisosurf \ -lSCkeyval -lSCmbpt -lSCmbptr12 -lSCmisc -lSCmolecule \ -lSCoint3 -lSCoptimize -lSCoptions -lSCpsi -lSCref \
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