FreeBSD Bugzilla – Attachment 133465 Details for
Bug 177935
science/avogadro: Update to version 1.1.0
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[patch]
file.diff
file.diff (text/plain), 53.54 KB, created by
tkato432
on 2013-04-17 19:10:09 UTC
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hide
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Description:
file.diff
Filename:
MIME Type:
Creator:
tkato432
Created:
2013-04-17 19:10:09 UTC
Size:
53.54 KB
patch
obsolete
>diff -urN /usr/ports/science/avogadro/Makefile science/avogadro/Makefile >--- /usr/ports/science/avogadro/Makefile 2013-04-17 02:44:45.000000000 +0900 >+++ science/avogadro/Makefile 2013-04-17 16:47:59.000000000 +0900 >@@ -2,29 +2,34 @@ > # $FreeBSD: head/science/avogadro/Makefile 315830 2013-04-16 16:00:08Z rene $ > > PORTNAME= avogadro >-PORTVERSION= 1.0.3 >-PORTREVISION= 2 >+PORTVERSION= 1.1.0 > CATEGORIES= science > MASTER_SITES= SF > > MAINTAINER= ports@FreeBSD.org > COMMENT= Advanced molecular editor and viewer > >+LICENSE= GPLv2 # (or later) >+ > BUILD_DEPENDS= ${LOCALBASE}/libdata/pkgconfig/eigen2.pc:${PORTSDIR}/math/eigen2 > LIB_DEPENDS= openbabel:${PORTSDIR}/science/openbabel > >-USE_LDCONFIG= yes >+OPTIONS_DEFINE= PYTHON >+OPTIONS_DEFAULT=PYTHON >+ > USE_BZIP2= yes >-USE_GL= glu >-USE_QT4= gui opengl network linguist_build \ >- qmake_build moc_build rcc_build uic_build > USES= cmake >+USE_GL= glu >+USE_QT4= gui network opengl \ >+ linguist_build moc_build qmake_build rcc_build uic_build >+USE_PKGCONFIG= build > CMAKE_ARGS= -DENABLE_GLSL=OFF \ > -DQT_MKSPECS_RELATIVE=share/qt4/mkspecs >-USE_GCC= 4.4+ >+USE_LDCONFIG= yes > MAKE_JOBS_SAFE= yes > >-OPTIONS_DEFINE= PYTHON >+CFLAGS+= -idirafter ${LOCALBASE}/include >+LDFLAGS+= -L${LOCALBASE}/lib > > MAN1= avogadro.1 avopkg.1 > >@@ -35,9 +40,9 @@ > USE_PYTHON= -2.7 > BUILD_DEPENDS+= ${PYNUMPY} \ > ${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip >+LIB_DEPENDS+= boost_python:${PORTSDIR}/devel/boost-python-libs > RUN_DEPENDS+= ${PYNUMPY} \ > ${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip >-LIB_DEPENDS+= boost_python:${PORTSDIR}/devel/boost-python-libs > PLIST_SUB+= PYTHON="" > .else > CMAKE_ARGS+= -DENABLE_PYTHON=OFF >@@ -45,6 +50,10 @@ > .endif > > post-patch: >- @${REINPLACE_CMD} 's|share/man|man|' ${WRKSRC}/doc/CMakeLists.txt >+ @${REINPLACE_CMD} -e \ >+ '/FLAGS_RELEASE/s|^|#| ; \ >+ /PC_FILES/s|$${LIB_INSTALL_DIR}|libdata|' ${WRKSRC}/CMakeLists.txt >+ @${REINPLACE_CMD} -e \ >+ 's|share/man|man|' ${WRKSRC}/doc/CMakeLists.txt > > .include <bsd.port.mk> >diff -urN /usr/ports/science/avogadro/distinfo science/avogadro/distinfo >--- /usr/ports/science/avogadro/distinfo 2012-11-08 06:58:54.000000000 +0900 >+++ science/avogadro/distinfo 2013-04-17 03:17:16.000000000 +0900 >@@ -1,2 +1,2 @@ >-SHA256 (avogadro-1.0.3.tar.bz2) = efb6fda223da3c027436f0c218a47ce804f7469c58b41134230e9ebad1c98468 >-SIZE (avogadro-1.0.3.tar.bz2) = 4971989 >+SHA256 (avogadro-1.1.0.tar.bz2) = 6b4eaf57ae52bf43df9b103c77e6abae71e067053d5c99f82acbce9855ecceb0 >+SIZE (avogadro-1.1.0.tar.bz2) = 10741835 >diff -urN /usr/ports/science/avogadro/files/patch-libavogadro__CMakeLists.txt science/avogadro/files/patch-libavogadro__CMakeLists.txt >--- /usr/ports/science/avogadro/files/patch-libavogadro__CMakeLists.txt 2012-12-01 17:12:24.000000000 +0900 >+++ science/avogadro/files/patch-libavogadro__CMakeLists.txt 1970-01-01 09:00:00.000000000 +0900 >@@ -1,12 +0,0 @@ >---- libavogadro/CMakeLists.txt.orig 2012-11-26 21:38:12.000000000 +0100 >-+++ libavogadro/CMakeLists.txt 2012-11-26 21:39:47.000000000 +0100 >-@@ -18,7 +18,8 @@ >- # Assume all MOC stuff is in the headers, replace .cpp and use qt4_wrap_cpp >- # We should probably scan the header to verify the Q_OBJECT macro is used >- string(REPLACE ".cpp" ".h" hdr_list "${src_list}") >-- qt4_wrap_cpp(moc_files ${hdr_list}) >-+ qt4_wrap_cpp(moc_files ${hdr_list} OPTIONS >-+ -DBOOST_TT_HAS_OPERATOR_HPP_INCLUDED) >- # Now sort out the ui and qrc files, process them as appropriate >- set(ui_plugin_files) >- set(qrc_plugin_files) >diff -urN /usr/ports/science/avogadro/pkg-plist science/avogadro/pkg-plist >--- /usr/ports/science/avogadro/pkg-plist 2012-11-08 06:58:54.000000000 +0900 >+++ science/avogadro/pkg-plist 2013-04-17 16:48:45.000000000 +0900 >@@ -8,6 +8,8 @@ > include/avogadro/color3f.h > include/avogadro/colorbutton.h > include/avogadro/cube.h >+include/avogadro/dockextension.h >+include/avogadro/dockwidget.h > include/avogadro/elementtranslator.h > include/avogadro/engine.h > include/avogadro/extension.h >@@ -22,6 +24,7 @@ > include/avogadro/moleculefile.h > include/avogadro/navigate.h > include/avogadro/neighborlist.h >+include/avogadro/obeigenconv.h > include/avogadro/painter.h > include/avogadro/painterdevice.h > include/avogadro/periodictableview.h >@@ -38,70 +41,82 @@ > %%PYTHON%%include/avogadro/pythoninterpreter.h > %%PYTHON%%include/avogadro/pythonscript.h > include/avogadro/residue.h >+include/avogadro/textmatrixeditor.h > include/avogadro/tool.h > include/avogadro/toolgroup.h > include/avogadro/undosequence.h > include/avogadro/zmatrix.h >-lib/avogadro/1_0/AvogadroBuildSettings.cmake >-lib/avogadro/1_0/AvogadroLibraryDeps.cmake >-lib/avogadro/1_0/AvogadroUse.cmake >-lib/avogadro/1_0/cmake/FindEigen2.cmake >-lib/avogadro/1_0/cmake/FindGLEW.cmake >-lib/avogadro/1_0/colors/atomindexcolor.so >-lib/avogadro/1_0/colors/chargecolor.so >-lib/avogadro/1_0/colors/customcolor.so >-lib/avogadro/1_0/colors/distancecolor.so >-lib/avogadro/1_0/colors/residuecolor.so >-lib/avogadro/1_0/engines/axesengine.so >-lib/avogadro/1_0/engines/cartoonengine.so >-lib/avogadro/1_0/engines/dipoleengine.so >-lib/avogadro/1_0/engines/forceengine.so >-lib/avogadro/1_0/engines/hbondengine.so >-lib/avogadro/1_0/engines/labelengine.so >-lib/avogadro/1_0/engines/overlayengine.so >-lib/avogadro/1_0/engines/polygonengine.so >-lib/avogadro/1_0/engines/ribbonengine.so >-lib/avogadro/1_0/engines/ringengine.so >-lib/avogadro/1_0/engines/simplewireengine.so >-lib/avogadro/1_0/engines/sphereengine.so >-lib/avogadro/1_0/engines/stickengine.so >-lib/avogadro/1_0/engines/surfaceengine.so >-lib/avogadro/1_0/engines/wireengine.so >-lib/avogadro/1_0/extensions/animationextension.so >-lib/avogadro/1_0/extensions/fileimportextension.so >-lib/avogadro/1_0/extensions/forcefieldextension.so >-lib/avogadro/1_0/extensions/gamessextension.so >-lib/avogadro/1_0/extensions/h2methylextension.so >-lib/avogadro/1_0/extensions/hydrogenextension.so >-lib/avogadro/1_0/extensions/inputfileextension.so >-lib/avogadro/1_0/extensions/insertfragmentextension.so >-lib/avogadro/1_0/extensions/insertpeptideextension.so >-lib/avogadro/1_0/extensions/molecularpropextension.so >-lib/avogadro/1_0/extensions/networkfetchextension.so >-lib/avogadro/1_0/extensions/povrayextension.so >-lib/avogadro/1_0/extensions/propextension.so >-%%PYTHON%%lib/avogadro/1_0/extensions/pythonterminal.so >-lib/avogadro/1_0/extensions/selectextension.so >-lib/avogadro/1_0/extensions/spectraextension.so >-lib/avogadro/1_0/extensions/supercellextension.so >-lib/avogadro/1_0/extensions/surfaceextension.so >-lib/avogadro/1_0/extensions/unitcellextension.so >-lib/avogadro/1_0/extensions/vibrationextension.so >-lib/avogadro/1_0/tools/aligntool.so >-lib/avogadro/1_0/tools/autoopttool.so >-lib/avogadro/1_0/tools/autorotatetool.so >-lib/avogadro/1_0/tools/bondcentrictool.so >-lib/avogadro/1_0/tools/clickmeasuretool.so >-lib/avogadro/1_0/tools/drawtool.so >-lib/avogadro/1_0/tools/manipulatetool.so >-lib/avogadro/1_0/tools/navigatetool.so >-lib/avogadro/1_0/tools/selectrotatetool.so >+lib/avogadro/1_1/AvogadroUse.cmake >+lib/avogadro/1_1/cmake/FindEigen2.cmake >+lib/avogadro/1_1/cmake/FindGLEW.cmake >+lib/avogadro/1_1/colors/atomindexcolor.so >+lib/avogadro/1_1/colors/chargecolor.so >+lib/avogadro/1_1/colors/customcolor.so >+lib/avogadro/1_1/colors/distancecolor.so >+lib/avogadro/1_1/colors/residuecolor.so >+lib/avogadro/1_1/colors/smartscolor.so >+lib/avogadro/1_1/engines/axesengine.so >+lib/avogadro/1_1/engines/cartoonengine.so >+lib/avogadro/1_1/engines/dipoleengine.so >+lib/avogadro/1_1/engines/forceengine.so >+lib/avogadro/1_1/engines/hbondengine.so >+lib/avogadro/1_1/engines/labelengine.so >+lib/avogadro/1_1/engines/polygonengine.so >+lib/avogadro/1_1/engines/qtaimengine.so >+lib/avogadro/1_1/engines/ribbonengine.so >+lib/avogadro/1_1/engines/ringengine.so >+lib/avogadro/1_1/engines/simplewireengine.so >+lib/avogadro/1_1/engines/sphereengine.so >+lib/avogadro/1_1/engines/stickengine.so >+lib/avogadro/1_1/engines/surfaceengine.so >+lib/avogadro/1_1/engines/wireengine.so >+lib/avogadro/1_1/extensions/animationextension.so >+lib/avogadro/1_1/extensions/cartesianextension.so >+lib/avogadro/1_1/extensions/crystallographyextension.so >+lib/avogadro/1_1/extensions/fileimportextension.so >+lib/avogadro/1_1/extensions/forcefieldextension.so >+lib/avogadro/1_1/extensions/gamessextension.so >+lib/avogadro/1_1/extensions/gl2psextension.so >+lib/avogadro/1_1/extensions/h2methylextension.so >+lib/avogadro/1_1/extensions/hydrogensextension.so >+lib/avogadro/1_1/extensions/inputfileextension.so >+lib/avogadro/1_1/extensions/insertfragmentextension.so >+lib/avogadro/1_1/extensions/insertpeptideextension.so >+lib/avogadro/1_1/extensions/invertchiralextension.so >+lib/avogadro/1_1/extensions/molecularpropextension.so >+lib/avogadro/1_1/extensions/networkfetchextension.so >+lib/avogadro/1_1/extensions/orbitalextension.so >+lib/avogadro/1_1/extensions/povrayextension.so >+lib/avogadro/1_1/extensions/propextension.so >+%%PYTHON%%lib/avogadro/1_1/extensions/pythonterminal.so >+lib/avogadro/1_1/extensions/qtaimextension.so >+lib/avogadro/1_1/extensions/selectextension.so >+lib/avogadro/1_1/extensions/spectraextension.so >+lib/avogadro/1_1/extensions/supercellextension.so >+lib/avogadro/1_1/extensions/surfaceextension.so >+lib/avogadro/1_1/extensions/swcntbuilderextension.so >+lib/avogadro/1_1/extensions/vibrationextension.so >+lib/avogadro/1_1/tools/aligntool.so >+lib/avogadro/1_1/tools/autoopttool.so >+lib/avogadro/1_1/tools/autorotatetool.so >+lib/avogadro/1_1/tools/bondcentrictool.so >+lib/avogadro/1_1/tools/clickmeasuretool.so >+lib/avogadro/1_1/tools/drawtool.so >+lib/avogadro/1_1/tools/manipulatetool.so >+lib/avogadro/1_1/tools/selectrotatetool.so > lib/avogadro/AvogadroConfig.cmake > lib/avogadro/AvogadroConfigVersion.cmake >+lib/avogadro/AvogadroTargets-release.cmake >+lib/avogadro/AvogadroTargets.cmake > lib/libavogadro.so > lib/libavogadro.so.1 >-lib/libavogadro.so.1.0.3 >+lib/libavogadro.so.1.1.0 >+lib/libavogadro_OpenQube.so >+lib/libavogadro_OpenQube.so.0 >+lib/libavogadro_OpenQube.so.0.1.0 > %%PYTHON%%%%PYTHON_SITELIBDIR%%/Avogadro.so >+libdata/pkgconfig/avogadro.pc >+share/applications/avogadro.desktop > %%DATADIR%%/builder/amino/d-ala.zmat > %%DATADIR%%/builder/amino/d-arg.zmat > %%DATADIR%%/builder/amino/d-asn.zmat >@@ -143,18 +158,574 @@ > %%DATADIR%%/builder/amino/l-trp.zmat > %%DATADIR%%/builder/amino/l-tyr.zmat > %%DATADIR%%/builder/amino/l-val.zmat >+%%DATADIR%%/crystals/antimonides/AlSb.cif >+%%DATADIR%%/crystals/antimonides/GaSb.cif >+%%DATADIR%%/crystals/antimonides/InSb.cif >+%%DATADIR%%/crystals/arsenides/AlAs.cif >+%%DATADIR%%/crystals/arsenides/BAs.cif >+%%DATADIR%%/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif >+%%DATADIR%%/crystals/arsenides/CoAs3-Skutterudite.cif >+%%DATADIR%%/crystals/arsenides/GaAs.cif >+%%DATADIR%%/crystals/arsenides/InAs.cif >+%%DATADIR%%/crystals/arsenides/NiAs-Nickeline.cif >+%%DATADIR%%/crystals/carbides/SiC-2H-Moissanite.cif >+%%DATADIR%%/crystals/carbides/SiC-3C-beta.cif >+%%DATADIR%%/crystals/carbides/SiC-6H-alpha.cif >+%%DATADIR%%/crystals/carbides/SiC-Moissanite.cif >+%%DATADIR%%/crystals/carbides/SiC.cif >+%%DATADIR%%/crystals/carbides/W2C.cif >+%%DATADIR%%/crystals/carbides/WC.cif >+%%DATADIR%%/crystals/carbonates/CaCO3-Calcite.cif >+%%DATADIR%%/crystals/carbonates/CaMgC2O6-Dolomite.cif >+%%DATADIR%%/crystals/carbonates/Li2CO3-Zabuyelite.cif >+%%DATADIR%%/crystals/carbonates/MgCO3-Magnesite.cif >+%%DATADIR%%/crystals/carbonates/Na2CO3-Natrite.cif >+%%DATADIR%%/crystals/clays/Al2Si2O9H4-Dickite.cif >+%%DATADIR%%/crystals/clays/Al2Si2O9H4-Kaolinite.cif >+%%DATADIR%%/crystals/clays/Al2Si2O9H4-Nacrite.cif >+%%DATADIR%%/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.cif >+%%DATADIR%%/crystals/clays/Al4KSi2O12-Illite.cif >+%%DATADIR%%/crystals/clays/AlSi2O6H-Pyrophyllite.cif >+%%DATADIR%%/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif >+%%DATADIR%%/crystals/clays/FeSi2O6H-Nontronite.cif >+%%DATADIR%%/crystals/clays/Lepidolite.cif >+%%DATADIR%%/crystals/clays/Mg2Al2SiO9H4-Amesite.cif >+%%DATADIR%%/crystals/clays/Mg3(O12Si4)H2-Vermiculite.cif >+%%DATADIR%%/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.cif >+%%DATADIR%%/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif >+%%DATADIR%%/crystals/clays/Zn2SiO5H2-Hemimorphite.cif >+%%DATADIR%%/crystals/elements/Ac-Actinium.cif >+%%DATADIR%%/crystals/elements/Ag-Silver.cif >+%%DATADIR%%/crystals/elements/Al-Aluminum.cif >+%%DATADIR%%/crystals/elements/Am-Americium.cif >+%%DATADIR%%/crystals/elements/Ar-Argon.cif >+%%DATADIR%%/crystals/elements/As-Arsenic.cif >+%%DATADIR%%/crystals/elements/As-Arsenolamprite.cif >+%%DATADIR%%/crystals/elements/Au-Gold.cif >+%%DATADIR%%/crystals/elements/B-Boron.cif >+%%DATADIR%%/crystals/elements/Ba-Barium.cif >+%%DATADIR%%/crystals/elements/Be-Beryllium.cif >+%%DATADIR%%/crystals/elements/Bi-Bismuth.cif >+%%DATADIR%%/crystals/elements/Br-Bromine.cif >+%%DATADIR%%/crystals/elements/C-Diamond.cif >+%%DATADIR%%/crystals/elements/C-Graphite.cif >+%%DATADIR%%/crystals/elements/C-Lonsdaleite.cif >+%%DATADIR%%/crystals/elements/Ca-Calcium-alpha.cif >+%%DATADIR%%/crystals/elements/Ca-Calcium-beta.cif >+%%DATADIR%%/crystals/elements/Ca-Calcium-gamma.cif >+%%DATADIR%%/crystals/elements/Cd-Cadmium.cif >+%%DATADIR%%/crystals/elements/Ce-Cerium.cif >+%%DATADIR%%/crystals/elements/Cl-Chlorine.cif >+%%DATADIR%%/crystals/elements/Co-Cobalt.cif >+%%DATADIR%%/crystals/elements/Cr-Chromium.cif >+%%DATADIR%%/crystals/elements/Cs-Cesium.cif >+%%DATADIR%%/crystals/elements/Cu-Copper.cif >+%%DATADIR%%/crystals/elements/Dy-Dysprosium.cif >+%%DATADIR%%/crystals/elements/Er-Erbium.cif >+%%DATADIR%%/crystals/elements/Eu-Europium.cif >+%%DATADIR%%/crystals/elements/Fe-Iron-alpha.cif >+%%DATADIR%%/crystals/elements/Fe-Iron-beta.cif >+%%DATADIR%%/crystals/elements/Fe-Iron-delta.cif >+%%DATADIR%%/crystals/elements/Fe-Iron-gamma.cif >+%%DATADIR%%/crystals/elements/Ga-Gallium.cif >+%%DATADIR%%/crystals/elements/Gd-Gadolinium.cif >+%%DATADIR%%/crystals/elements/Ge-Germanium.cif >+%%DATADIR%%/crystals/elements/He-Helium.cif >+%%DATADIR%%/crystals/elements/Hf-Hafnium.cif >+%%DATADIR%%/crystals/elements/Ho-Holmium.cif >+%%DATADIR%%/crystals/elements/I-Iodine.cif >+%%DATADIR%%/crystals/elements/In-Indium.cif >+%%DATADIR%%/crystals/elements/Ir-Iridium.cif >+%%DATADIR%%/crystals/elements/K-Potassium.cif >+%%DATADIR%%/crystals/elements/Kr-Krypton.cif >+%%DATADIR%%/crystals/elements/La-Lanthanum.cif >+%%DATADIR%%/crystals/elements/Li-Lithium.cif >+%%DATADIR%%/crystals/elements/Lu-Lutetium.cif >+%%DATADIR%%/crystals/elements/Mg-Magnesium.cif >+%%DATADIR%%/crystals/elements/Mn-Manganese-alpha.cif >+%%DATADIR%%/crystals/elements/Mn-Manganese-delta.cif >+%%DATADIR%%/crystals/elements/Mn-Manganese-gamma.cif >+%%DATADIR%%/crystals/elements/Mo-Molybdenum.cif >+%%DATADIR%%/crystals/elements/N-Nitrogen.cif >+%%DATADIR%%/crystals/elements/Na-Sodium.cif >+%%DATADIR%%/crystals/elements/Nb-Niobium.cif >+%%DATADIR%%/crystals/elements/Nd-Neodymium.cif >+%%DATADIR%%/crystals/elements/Ne-Neon.cif >+%%DATADIR%%/crystals/elements/Ni-Nickel.cif >+%%DATADIR%%/crystals/elements/Np-Neptunium-alpha.cif >+%%DATADIR%%/crystals/elements/Np-Neptunium-beta.cif >+%%DATADIR%%/crystals/elements/Np-Neptunium-gamma.cif >+%%DATADIR%%/crystals/elements/Os-Osmium.cif >+%%DATADIR%%/crystals/elements/P-Phosphorus-black.cif >+%%DATADIR%%/crystals/elements/P-Phosphorus.cif >+%%DATADIR%%/crystals/elements/Pb-Lead.cif >+%%DATADIR%%/crystals/elements/Pd-Palladium.cif >+%%DATADIR%%/crystals/elements/Pr-Praseodymium.cif >+%%DATADIR%%/crystals/elements/Pt-Platinum.cif >+%%DATADIR%%/crystals/elements/Pu-Plutonium-alpha.cif >+%%DATADIR%%/crystals/elements/Pu-Plutonium-epsilon.cif >+%%DATADIR%%/crystals/elements/Pu-Plutonium-gamma.cif >+%%DATADIR%%/crystals/elements/Rb-Rubidium.cif >+%%DATADIR%%/crystals/elements/Re-Rhenium.cif >+%%DATADIR%%/crystals/elements/Rh-Rhodium.cif >+%%DATADIR%%/crystals/elements/Ru-Ruthenium.cif >+%%DATADIR%%/crystals/elements/S6-Sulfur.cif >+%%DATADIR%%/crystals/elements/S8-Sulfur-alpha.cif >+%%DATADIR%%/crystals/elements/S8-Sulfur-beta.cif >+%%DATADIR%%/crystals/elements/S8-Sulfur-gamma.cif >+%%DATADIR%%/crystals/elements/Sb-Antimony.cif >+%%DATADIR%%/crystals/elements/Sc-Scandium.cif >+%%DATADIR%%/crystals/elements/Se-Selenium.cif >+%%DATADIR%%/crystals/elements/Si-Silicon.cif >+%%DATADIR%%/crystals/elements/Sm-Samarium.cif >+%%DATADIR%%/crystals/elements/Sn-Tin-alpha.cif >+%%DATADIR%%/crystals/elements/Sn-Tin-beta.cif >+%%DATADIR%%/crystals/elements/Sr-Strontium.cif >+%%DATADIR%%/crystals/elements/Ta-Tantalum.cif >+%%DATADIR%%/crystals/elements/Tb-Terbium.cif >+%%DATADIR%%/crystals/elements/Te-Tellurium.cif >+%%DATADIR%%/crystals/elements/Th-Thorium.cif >+%%DATADIR%%/crystals/elements/Ti-Titanium-alpha.cif >+%%DATADIR%%/crystals/elements/Ti-Titanium-beta.cif >+%%DATADIR%%/crystals/elements/Tl-Thallium.cif >+%%DATADIR%%/crystals/elements/Tm-Thulium.cif >+%%DATADIR%%/crystals/elements/U-Uranium-alpha.cif >+%%DATADIR%%/crystals/elements/U-Uranium-gamma.cif >+%%DATADIR%%/crystals/elements/V-Vanadium.cif >+%%DATADIR%%/crystals/elements/W-Tungsten.cif >+%%DATADIR%%/crystals/elements/Xe-Xenon.cif >+%%DATADIR%%/crystals/elements/Y-Yttrium.cif >+%%DATADIR%%/crystals/elements/Yb-Ytterbium.cif >+%%DATADIR%%/crystals/elements/Zn-Zinc.cif >+%%DATADIR%%/crystals/elements/Zr-Zirconium.cif >+%%DATADIR%%/crystals/halides/AgBr-Bromargyrite.cif >+%%DATADIR%%/crystals/halides/AgCl-Chlorargyrite.cif >+%%DATADIR%%/crystals/halides/AlCl3.cif >+%%DATADIR%%/crystals/halides/AlNa3F6-Cryolite.cif 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>+%%DATADIR%%/crystals/zeolites/NSI.cif >+%%DATADIR%%/crystals/zeolites/OBW.cif >+%%DATADIR%%/crystals/zeolites/OFF.cif >+%%DATADIR%%/crystals/zeolites/OSI.cif >+%%DATADIR%%/crystals/zeolites/OSO.cif >+%%DATADIR%%/crystals/zeolites/OWE.cif >+%%DATADIR%%/crystals/zeolites/PAR.cif >+%%DATADIR%%/crystals/zeolites/PAU.cif >+%%DATADIR%%/crystals/zeolites/PHI.cif >+%%DATADIR%%/crystals/zeolites/PON.cif >+%%DATADIR%%/crystals/zeolites/PUN.cif >+%%DATADIR%%/crystals/zeolites/RHO.cif >+%%DATADIR%%/crystals/zeolites/RON.cif >+%%DATADIR%%/crystals/zeolites/RRO.cif >+%%DATADIR%%/crystals/zeolites/RSN.cif >+%%DATADIR%%/crystals/zeolites/RTE.cif >+%%DATADIR%%/crystals/zeolites/RTH.cif >+%%DATADIR%%/crystals/zeolites/RUT.cif >+%%DATADIR%%/crystals/zeolites/RWR.cif >+%%DATADIR%%/crystals/zeolites/RWY.cif >+%%DATADIR%%/crystals/zeolites/SAF.cif >+%%DATADIR%%/crystals/zeolites/SAO.cif >+%%DATADIR%%/crystals/zeolites/SAS.cif >+%%DATADIR%%/crystals/zeolites/SAT.cif >+%%DATADIR%%/crystals/zeolites/SAV.cif >+%%DATADIR%%/crystals/zeolites/SBE.cif >+%%DATADIR%%/crystals/zeolites/SBN.cif >+%%DATADIR%%/crystals/zeolites/SBS.cif >+%%DATADIR%%/crystals/zeolites/SBT.cif >+%%DATADIR%%/crystals/zeolites/SFE.cif >+%%DATADIR%%/crystals/zeolites/SFF.cif >+%%DATADIR%%/crystals/zeolites/SFG.cif >+%%DATADIR%%/crystals/zeolites/SFH.cif >+%%DATADIR%%/crystals/zeolites/SFN.cif >+%%DATADIR%%/crystals/zeolites/SFO.cif >+%%DATADIR%%/crystals/zeolites/SFS.cif >+%%DATADIR%%/crystals/zeolites/SGT.cif >+%%DATADIR%%/crystals/zeolites/SIV.cif >+%%DATADIR%%/crystals/zeolites/SOD.cif >+%%DATADIR%%/crystals/zeolites/SOF.cif >+%%DATADIR%%/crystals/zeolites/SOS.cif >+%%DATADIR%%/crystals/zeolites/SSF.cif >+%%DATADIR%%/crystals/zeolites/SSY.cif >+%%DATADIR%%/crystals/zeolites/STF.cif >+%%DATADIR%%/crystals/zeolites/STI.cif >+%%DATADIR%%/crystals/zeolites/STO.cif >+%%DATADIR%%/crystals/zeolites/STT.cif >+%%DATADIR%%/crystals/zeolites/STW.cif >+%%DATADIR%%/crystals/zeolites/SVR.cif >+%%DATADIR%%/crystals/zeolites/SZR.cif >+%%DATADIR%%/crystals/zeolites/TER.cif >+%%DATADIR%%/crystals/zeolites/THO.cif >+%%DATADIR%%/crystals/zeolites/TOL.cif >+%%DATADIR%%/crystals/zeolites/TON.cif >+%%DATADIR%%/crystals/zeolites/TSC.cif >+%%DATADIR%%/crystals/zeolites/TUN.cif >+%%DATADIR%%/crystals/zeolites/UEI.cif >+%%DATADIR%%/crystals/zeolites/UFI.cif >+%%DATADIR%%/crystals/zeolites/UOS.cif >+%%DATADIR%%/crystals/zeolites/UOZ.cif >+%%DATADIR%%/crystals/zeolites/USI.cif >+%%DATADIR%%/crystals/zeolites/UTL.cif >+%%DATADIR%%/crystals/zeolites/UWY.cif >+%%DATADIR%%/crystals/zeolites/VET.cif >+%%DATADIR%%/crystals/zeolites/VFI.cif >+%%DATADIR%%/crystals/zeolites/VNI.cif >+%%DATADIR%%/crystals/zeolites/VSV.cif >+%%DATADIR%%/crystals/zeolites/WEI.cif >+%%DATADIR%%/crystals/zeolites/WEN.cif >+%%DATADIR%%/crystals/zeolites/YUG.cif >+%%DATADIR%%/crystals/zeolites/ZON.cif >+%%DATADIR%%/crystals/zeolites/ZSM-5.cif >+%%DATADIR%%/fragments/alcohols/2-aminoethanol.cml >+%%DATADIR%%/fragments/alcohols/but-2-yne-1_4-diol.cml >+%%DATADIR%%/fragments/alcohols/cyclohexanol.cml >+%%DATADIR%%/fragments/alcohols/cyclopentanol.cml >+%%DATADIR%%/fragments/alcohols/ethane-1_2-diol.cml > %%DATADIR%%/fragments/alcohols/ethanol.cml > %%DATADIR%%/fragments/alcohols/methanol.cml > %%DATADIR%%/fragments/alcohols/propan-1-ol.cml > %%DATADIR%%/fragments/alcohols/propan-2-ol.cml >+%%DATADIR%%/fragments/alcohols/propane-1_2_3-triol.cml > %%DATADIR%%/fragments/aldehydes/acetaldehyde.cml > %%DATADIR%%/fragments/aldehydes/formaldehyde.cml > %%DATADIR%%/fragments/alkanes/2-methylpropane.cml >+%%DATADIR%%/fragments/alkanes/butane.cml >+%%DATADIR%%/fragments/alkanes/decane.cml >+%%DATADIR%%/fragments/alkanes/dodecane.cml >+%%DATADIR%%/fragments/alkanes/eicosane.cml > %%DATADIR%%/fragments/alkanes/ethane.cml >+%%DATADIR%%/fragments/alkanes/heptane.cml >+%%DATADIR%%/fragments/alkanes/hexadecane.cml >+%%DATADIR%%/fragments/alkanes/hexane.cml > %%DATADIR%%/fragments/alkanes/methane.cml >+%%DATADIR%%/fragments/alkanes/nonane.cml >+%%DATADIR%%/fragments/alkanes/octane.cml >+%%DATADIR%%/fragments/alkanes/pentadecane.cml >+%%DATADIR%%/fragments/alkanes/pentane.cml > %%DATADIR%%/fragments/alkanes/propane.cml >+%%DATADIR%%/fragments/alkanes/tetracosane.cml >+%%DATADIR%%/fragments/alkanes/tetradecane.cml >+%%DATADIR%%/fragments/alkanes/tridecane.cml >+%%DATADIR%%/fragments/alkanes/undecane.cml >+%%DATADIR%%/fragments/alkenes/2-methylbut-2-ene.cml >+%%DATADIR%%/fragments/alkenes/2-methylbuta-1_3-diene.cml >+%%DATADIR%%/fragments/alkenes/3E-penta-1_3-diene.cml >+%%DATADIR%%/fragments/alkenes/3Z-penta-1_3-diene.cml >+%%DATADIR%%/fragments/alkenes/3Z_3-ethylhepta-1_3-diene.cml >+%%DATADIR%%/fragments/alkenes/E-but-2-ene.cml >+%%DATADIR%%/fragments/alkenes/E-hept-2-ene.cml >+%%DATADIR%%/fragments/alkenes/E-hept-3-ene.cml >+%%DATADIR%%/fragments/alkenes/E-hex-2-ene.cml >+%%DATADIR%%/fragments/alkenes/E-hex-3-ene.cml >+%%DATADIR%%/fragments/alkenes/E-oct-2-ene.cml >+%%DATADIR%%/fragments/alkenes/E-oct-3-ene.cml >+%%DATADIR%%/fragments/alkenes/E-oct-4-ene.cml >+%%DATADIR%%/fragments/alkenes/E-pent-2-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-but-2-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-hept-2-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-hept-3-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-hex-2-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-hex-3-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-oct-2-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-oct-3-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-oct-4-ene.cml >+%%DATADIR%%/fragments/alkenes/Z-pent-2-ene.cml > %%DATADIR%%/fragments/alkenes/but-1-ene.cml > %%DATADIR%%/fragments/alkenes/ethene.cml >+%%DATADIR%%/fragments/alkenes/hept-1-ene.cml >+%%DATADIR%%/fragments/alkenes/hex-1-ene.cml >+%%DATADIR%%/fragments/alkenes/oct-1-ene.cml >+%%DATADIR%%/fragments/alkenes/pent-1-ene.cml >+%%DATADIR%%/fragments/alkenes/propene.cml > %%DATADIR%%/fragments/alkynes/acetylene.cml > %%DATADIR%%/fragments/alkynes/propyne.cml > %%DATADIR%%/fragments/amides/N_N-dimethylacetamide.cml >@@ -162,10 +733,22 @@ > %%DATADIR%%/fragments/amides/acetamide.cml > %%DATADIR%%/fragments/amides/ethyl_carbamate.cml > %%DATADIR%%/fragments/amides/oxamide.cml >+%%DATADIR%%/fragments/amines/1H-azepine.cml >+%%DATADIR%%/fragments/amines/2-aminopropane.cml >+%%DATADIR%%/fragments/amines/S-sec-butylamine.cml > %%DATADIR%%/fragments/amines/ammonia.cml > %%DATADIR%%/fragments/amines/azepane.cml >+%%DATADIR%%/fragments/amines/diethylamine.cml >+%%DATADIR%%/fragments/amines/dimethylamine.cml > %%DATADIR%%/fragments/amines/ethylamine.cml > %%DATADIR%%/fragments/amines/methylamine.cml >+%%DATADIR%%/fragments/amines/piperazine.cml >+%%DATADIR%%/fragments/amines/piperidine.cml >+%%DATADIR%%/fragments/amines/pyrrolidine.cml >+%%DATADIR%%/fragments/amines/tert-butylamine.cml >+%%DATADIR%%/fragments/amines/triethylamine.cml >+%%DATADIR%%/fragments/amines/triethylenediamine.cml >+%%DATADIR%%/fragments/amines/trimethylamine.cml > %%DATADIR%%/fragments/amino_acids/D-alanine.cml > %%DATADIR%%/fragments/amino_acids/D-allo-threonine.cml > %%DATADIR%%/fragments/amino_acids/D-arginine.cml >@@ -209,19 +792,43 @@ > %%DATADIR%%/fragments/amino_acids/L-valine.cml > %%DATADIR%%/fragments/amino_acids/glycine.cml > %%DATADIR%%/fragments/aromatics/1H-indene.cml >+%%DATADIR%%/fragments/aromatics/1H-indole.cml >+%%DATADIR%%/fragments/aromatics/1_10-phenanthroline.cml >+%%DATADIR%%/fragments/aromatics/1_8-naphthyridine.cml >+%%DATADIR%%/fragments/aromatics/2H-chromene.cml >+%%DATADIR%%/fragments/aromatics/4H-chromene.cml >+%%DATADIR%%/fragments/aromatics/7H-purine.cml >+%%DATADIR%%/fragments/aromatics/9H-carbazole.cml >+%%DATADIR%%/fragments/aromatics/9H-fluorene.cml >+%%DATADIR%%/fragments/aromatics/9H-xanthene.cml >+%%DATADIR%%/fragments/aromatics/acenaphthene.cml >+%%DATADIR%%/fragments/aromatics/acenaphthenequinone.cml >+%%DATADIR%%/fragments/aromatics/acenaphthylene.cml >+%%DATADIR%%/fragments/aromatics/acridine.cml > %%DATADIR%%/fragments/aromatics/aniline.cml > %%DATADIR%%/fragments/aromatics/anisole.cml > %%DATADIR%%/fragments/aromatics/anthracene.cml > %%DATADIR%%/fragments/aromatics/benzaldehyde.cml > %%DATADIR%%/fragments/aromatics/benzene.cml >+%%DATADIR%%/fragments/aromatics/benzofuran.cml > %%DATADIR%%/fragments/aromatics/benzoic_acid.cml >+%%DATADIR%%/fragments/aromatics/benzothiophene.cml > %%DATADIR%%/fragments/aromatics/benzoyl_chloride.cml > %%DATADIR%%/fragments/aromatics/caffeine.cml >+%%DATADIR%%/fragments/aromatics/chromone.cml >+%%DATADIR%%/fragments/aromatics/cinnoline.cml >+%%DATADIR%%/fragments/aromatics/coumarin.cml >+%%DATADIR%%/fragments/aromatics/isoquinoline.cml > %%DATADIR%%/fragments/aromatics/naphthalene.cml > %%DATADIR%%/fragments/aromatics/nitrobenzene.cml >+%%DATADIR%%/fragments/aromatics/phenanthrene.cml > %%DATADIR%%/fragments/aromatics/phenol.cml >+%%DATADIR%%/fragments/aromatics/phthalimide.cml >+%%DATADIR%%/fragments/aromatics/quinazoline.cml >+%%DATADIR%%/fragments/aromatics/quinoline.cml >+%%DATADIR%%/fragments/aromatics/tetralin.cml > %%DATADIR%%/fragments/aromatics/toluene.cml >-%%DATADIR%%/fragments/buckminsterfullerene.cml >+%%DATADIR%%/fragments/aromatics/uric_acid.cml > %%DATADIR%%/fragments/carbamides/urea.cml > %%DATADIR%%/fragments/carbohydrates/d-allose.cml > %%DATADIR%%/fragments/carbohydrates/d-altrose.cml >@@ -252,6 +859,8 @@ > %%DATADIR%%/fragments/carboxylic_acids/D-lactic_acid.cml > %%DATADIR%%/fragments/carboxylic_acids/D-malic_acid.cml > %%DATADIR%%/fragments/carboxylic_acids/D-tartaric_acid.cml >+%%DATADIR%%/fragments/carboxylic_acids/E-butanoic_acid.cml >+%%DATADIR%%/fragments/carboxylic_acids/E-butenedioic_acid.cml > %%DATADIR%%/fragments/carboxylic_acids/L-ascorbic_acid.cml > %%DATADIR%%/fragments/carboxylic_acids/L-lactic_acid.cml > %%DATADIR%%/fragments/carboxylic_acids/L-malic_acid.cml >@@ -270,58 +879,82 @@ > %%DATADIR%%/fragments/coordination/5-square-pyramidal.cml > %%DATADIR%%/fragments/coordination/5-trigonal-bipyramidal.cml > %%DATADIR%%/fragments/coordination/6-octahedral.cml >-%%DATADIR%%/fragments/cyclic alkanes/adamantane.cml >-%%DATADIR%%/fragments/cyclic alkanes/cubane.cml >-%%DATADIR%%/fragments/cyclic alkanes/cyclobutane.cml >-%%DATADIR%%/fragments/cyclic alkanes/cycloheptane.cml >-%%DATADIR%%/fragments/cyclic alkanes/cyclohexane.cml >-%%DATADIR%%/fragments/cyclic alkanes/cyclopentane.cml >-%%DATADIR%%/fragments/cyclic alkanes/cyclopropane.cml >-%%DATADIR%%/fragments/cyclic alkanes/norbornane.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-allopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-arabinopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-fucopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-galactopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-galacturonopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-glucopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-glucuronopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-gulopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-idopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-lyxopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-mannopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-psicopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-rhamnopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-ribopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-tagatopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-talopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-D-xylopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-arabinopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-fucopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-galactopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-lyxopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-rhamnopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-ribopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-sorbopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/alpha-L-xylopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-allopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-arabinopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-fructopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-fucopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-galactopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-glucopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-gulopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-idopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-lyxopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-mannopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-rhamnopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-ribopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-tagatopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-talopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-D-xylopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-L-arabinopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-L-lyxopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-L-ribopyranose.cml >-%%DATADIR%%/fragments/cyclic sugars/beta-L-xylopyranose.cml >+%%DATADIR%%/fragments/cyclic_alkanes/1R-camphene.cml >+%%DATADIR%%/fragments/cyclic_alkanes/1R-camphor.cml >+%%DATADIR%%/fragments/cyclic_alkanes/abietic_acid.cml >+%%DATADIR%%/fragments/cyclic_alkanes/adamantane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cis-decahydronaphthalene.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cubane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclobutane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclodecane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cycloheptane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-chair.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-twist-boat.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclononane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclooctane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclopentane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/cyclopropane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/norbornane.cml >+%%DATADIR%%/fragments/cyclic_alkanes/trans-decahydronaphthalene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/Z-cycloheptene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/Z-cyclooctene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3-diene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3_5-triene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_4-diene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_3-diene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_4-diene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclohexene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3-diene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5-triene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5_7-tetraene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclopenta-1_3-diene.cml >+%%DATADIR%%/fragments/cyclic_alkenes/cyclopentene.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-allopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-arabinopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-fucopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galactopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galacturonopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucuronopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-gulopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-idopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-lyxopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-mannopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-psicopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-rhamnopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-ribopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-tagatopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-talopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-D-xylopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-arabinopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-fucopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-galactopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-lyxopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-rhamnopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-ribopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-sorbopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/alpha-L-xylopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-allopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-arabinopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-fructopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-fucopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-galactopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-glucopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-gulopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-idopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-lyxopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-mannopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-rhamnopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-ribopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-tagatopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-talopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-D-xylopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-L-arabinopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-L-lyxopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-L-ribopyranose.cml >+%%DATADIR%%/fragments/cyclic_sugars/beta-L-xylopyranose.cml >+%%DATADIR%%/fragments/ethers/1_4-dioxane.cml > %%DATADIR%%/fragments/ethers/di-tert-butylether.cml > %%DATADIR%%/fragments/ethers/dibutylether.cml > %%DATADIR%%/fragments/ethers/diethylether.cml >@@ -330,14 +963,37 @@ > %%DATADIR%%/fragments/ethers/dipropylether.cml > %%DATADIR%%/fragments/ethers/ethylmethylether.cml > %%DATADIR%%/fragments/ethers/tetrahydrofuran.cml >-%%DATADIR%%/fragments/fatty acids/decanoic_acid.cml >-%%DATADIR%%/fragments/fatty acids/hexanoic_acid.cml >-%%DATADIR%%/fragments/fatty acids/lauric_acid.cml >-%%DATADIR%%/fragments/fatty acids/linoleic_acid.cml >-%%DATADIR%%/fragments/fatty acids/octanoic_acid.cml >-%%DATADIR%%/fragments/fatty acids/oleic_acid.cml >-%%DATADIR%%/fragments/fatty acids/palmitic_acid.cml >-%%DATADIR%%/fragments/fatty acids/stearic_acid.cml >+%%DATADIR%%/fragments/ethers/tetrahydropyran.cml >+%%DATADIR%%/fragments/fatty_acids/arachidonic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/cervonic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/decanoic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/hexanoic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/lauric_acid.cml >+%%DATADIR%%/fragments/fatty_acids/linoleic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/linolenic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/myristic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/octanoic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/oleic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/palmitic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/pentanoic_acid.cml >+%%DATADIR%%/fragments/fatty_acids/stearic_acid.cml >+%%DATADIR%%/fragments/fullerenes/C180.cml >+%%DATADIR%%/fragments/fullerenes/C20.cml >+%%DATADIR%%/fragments/fullerenes/C24.cml >+%%DATADIR%%/fragments/fullerenes/C240.cml >+%%DATADIR%%/fragments/fullerenes/C26.cml >+%%DATADIR%%/fragments/fullerenes/C28.cml >+%%DATADIR%%/fragments/fullerenes/C30.cml >+%%DATADIR%%/fragments/fullerenes/C32.cml >+%%DATADIR%%/fragments/fullerenes/C36.cml >+%%DATADIR%%/fragments/fullerenes/C50.cml >+%%DATADIR%%/fragments/fullerenes/C60-buckminsterfullerene.cml >+%%DATADIR%%/fragments/fullerenes/C70.cml >+%%DATADIR%%/fragments/fullerenes/C76.cml >+%%DATADIR%%/fragments/fullerenes/C78.cml >+%%DATADIR%%/fragments/fullerenes/C80.cml >+%%DATADIR%%/fragments/fullerenes/PC70BM.cml >+%%DATADIR%%/fragments/fullerenes/PCBM.cml > %%DATADIR%%/fragments/heteroaromatics/1H-indole.cml > %%DATADIR%%/fragments/heteroaromatics/1H-pyrazole.cml > %%DATADIR%%/fragments/heteroaromatics/1H-pyrrole.cml >@@ -348,11 +1004,27 @@ > %%DATADIR%%/fragments/heteroaromatics/benzofuran.cml > %%DATADIR%%/fragments/heteroaromatics/benzothiophene.cml > %%DATADIR%%/fragments/heteroaromatics/furan.cml >+%%DATADIR%%/fragments/heteroaromatics/isonicotinamide.cml >+%%DATADIR%%/fragments/heteroaromatics/isonicotinic_acid.cml >+%%DATADIR%%/fragments/heteroaromatics/nicotinamide.cml >+%%DATADIR%%/fragments/heteroaromatics/nicotinic_acid.cml >+%%DATADIR%%/fragments/heteroaromatics/picolinamide.cml >+%%DATADIR%%/fragments/heteroaromatics/picolinic_acid.cml > %%DATADIR%%/fragments/heteroaromatics/pyridine.cml > %%DATADIR%%/fragments/heteroaromatics/thiophene.cml > %%DATADIR%%/fragments/ketones/acetone.cml > %%DATADIR%%/fragments/ketones/butanone.cml >+%%DATADIR%%/fragments/ketones/cyclohexanone.cml >+%%DATADIR%%/fragments/ketones/methyl_vinyl_ketone.cml >+%%DATADIR%%/fragments/ketones/p-benzoquinone.cml >+%%DATADIR%%/fragments/ligands/Cp-cyclopentadienyl.cml >+%%DATADIR%%/fragments/macrocycles/phthalocyanine.cml > %%DATADIR%%/fragments/macrocycles/porphin.cml >+%%DATADIR%%/fragments/nitriles/1_1_1-trichloroacetonitrile.cml >+%%DATADIR%%/fragments/nitriles/acetonitrile.cml >+%%DATADIR%%/fragments/nitriles/butyronitrile.cml >+%%DATADIR%%/fragments/nitriles/isobutyronitrile.cml >+%%DATADIR%%/fragments/nitriles/propionitrile.cml > %%DATADIR%%/fragments/nucleobases/adenine.cml > %%DATADIR%%/fragments/nucleobases/cytosine.cml > %%DATADIR%%/fragments/nucleobases/guanine.cml >@@ -362,9 +1034,18 @@ > %%DATADIR%%/fragments/steroids/estradiol.cml > %%DATADIR%%/fragments/steroids/testosterone.cml > %%DATADIR%%/fragments/sulfoxides/dimethyl_sulfoxide.cml >+%%DATADIR%%/fragments/thiols/2-methylproprane-2-thiol.cml >+%%DATADIR%%/fragments/thiols/R_butane-2-thiol.cml >+%%DATADIR%%/fragments/thiols/butane-1-thiol.cml >+%%DATADIR%%/fragments/thiols/ethane-1_2-dithiol.cml > %%DATADIR%%/fragments/thiols/ethanethiol.cml >+%%DATADIR%%/fragments/thiols/heptane-1-thiol.cml >+%%DATADIR%%/fragments/thiols/hexane-1-thiol.cml > %%DATADIR%%/fragments/thiols/methanethiol.cml >+%%DATADIR%%/fragments/thiols/octane-1-thiol.cml > %%DATADIR%%/fragments/thiols/pentane-1-thiol.cml >+%%DATADIR%%/fragments/thiols/proprane-1-thiol.cml >+%%DATADIR%%/fragments/thiols/proprane-2-thiol.cml > %%DATADIR%%/fragments/water.cml > %%DATADIR%%/i18n/avogadro_af.qm > %%DATADIR%%/i18n/avogadro_ar.qm >@@ -451,6 +1132,7 @@ > %%DATADIR%%/i18n/libavogadro_zh_TW.qm > %%PYTHON%%share/libavogadro/engineScripts/wireframe.py > %%PYTHON%%share/libavogadro/extensionScripts/example.py >+share/pixmaps/avogadro-icon.png > share/qt4/mkspecs/features/avogadro.prf > %%PYTHON%%@dirrm share/libavogadro/extensionScripts > %%PYTHON%%@dirrm share/libavogadro/engineScripts >@@ -460,13 +1142,17 @@ > @dirrm %%DATADIR%%/fragments/sulfoxides > @dirrm %%DATADIR%%/fragments/steroids > @dirrm %%DATADIR%%/fragments/nucleobases >+@dirrm %%DATADIR%%/fragments/nitriles > @dirrm %%DATADIR%%/fragments/macrocycles >+@dirrm %%DATADIR%%/fragments/ligands > @dirrm %%DATADIR%%/fragments/ketones > @dirrm %%DATADIR%%/fragments/heteroaromatics >-@dirrm %%DATADIR%%/fragments/fatty acids >+@dirrm %%DATADIR%%/fragments/fullerenes >+@dirrm %%DATADIR%%/fragments/fatty_acids > @dirrm %%DATADIR%%/fragments/ethers >-@dirrm %%DATADIR%%/fragments/cyclic sugars >-@dirrm %%DATADIR%%/fragments/cyclic alkanes >+@dirrm %%DATADIR%%/fragments/cyclic_sugars >+@dirrm %%DATADIR%%/fragments/cyclic_alkenes >+@dirrm %%DATADIR%%/fragments/cyclic_alkanes > @dirrm %%DATADIR%%/fragments/coordination > @dirrm %%DATADIR%%/fragments/carboxylic_acids > @dirrm %%DATADIR%%/fragments/carbohydrates >@@ -481,14 +1167,38 @@ > @dirrm %%DATADIR%%/fragments/aldehydes > @dirrm %%DATADIR%%/fragments/alcohols > @dirrm %%DATADIR%%/fragments >+@dirrm %%DATADIR%%/crystals/zeolites >+@dirrm %%DATADIR%%/crystals/titanates >+@dirrm %%DATADIR%%/crystals/telurides >+@dirrm %%DATADIR%%/crystals/sulfides >+@dirrm %%DATADIR%%/crystals/sulfates >+@dirrm %%DATADIR%%/crystals/silicates >+@dirrm %%DATADIR%%/crystals/selenides >+@dirrm %%DATADIR%%/crystals/phosphides >+@dirrm %%DATADIR%%/crystals/oxides >+@dirrm %%DATADIR%%/crystals/other >+@dirrm %%DATADIR%%/crystals/nitrides >+@dirrm %%DATADIR%%/crystals/intermetallics >+@dirrm %%DATADIR%%/crystals/ice >+@dirrm %%DATADIR%%/crystals/hydroxides >+@dirrm %%DATADIR%%/crystals/hydrides >+@dirrm %%DATADIR%%/crystals/halides >+@dirrm %%DATADIR%%/crystals/elements >+@dirrm %%DATADIR%%/crystals/clays >+@dirrm %%DATADIR%%/crystals/carbonates >+@dirrm %%DATADIR%%/crystals/carbides >+@dirrm %%DATADIR%%/crystals/arsenides >+@dirrm %%DATADIR%%/crystals/antimonides >+@dirrm %%DATADIR%%/crystals > @dirrm %%DATADIR%%/builder/amino > @dirrm %%DATADIR%%/builder > @dirrm %%DATADIR%% >-@dirrm lib/avogadro/1_0/tools >-@dirrm lib/avogadro/1_0/extensions >-@dirrm lib/avogadro/1_0/engines >-@dirrm lib/avogadro/1_0/colors >-@dirrm lib/avogadro/1_0/cmake >-@dirrm lib/avogadro/1_0 >+@dirrmtry share/applications >+@dirrm lib/avogadro/1_1/tools >+@dirrm lib/avogadro/1_1/extensions >+@dirrm lib/avogadro/1_1/engines >+@dirrm lib/avogadro/1_1/colors >+@dirrm lib/avogadro/1_1/cmake >+@dirrm lib/avogadro/1_1 > @dirrm lib/avogadro > @dirrm include/avogadro
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bug 177935
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