diff options
Diffstat (limited to 'science')
| -rw-r--r-- | science/avogadro/Makefile | 28 | ||||
| -rw-r--r-- | science/avogadro/distinfo | 4 | ||||
| -rw-r--r-- | science/avogadro/files/patch-libavogadro__CMakeLists.txt | 12 | ||||
| -rw-r--r-- | science/avogadro/pkg-plist | 960 |
4 files changed, 855 insertions, 149 deletions
diff --git a/science/avogadro/Makefile b/science/avogadro/Makefile index 0fdbd8a281f0..44a386200768 100644 --- a/science/avogadro/Makefile +++ b/science/avogadro/Makefile @@ -2,29 +2,33 @@ # $FreeBSD$ 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 +USES= cmake pkgconfig USE_GL= glu -USE_QT4= gui opengl network linguist_build \ - qmake_build moc_build rcc_build uic_build -USES= cmake +USE_QT4= gui network opengl \ + linguist_build moc_build qmake_build rcc_build uic_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 +39,9 @@ CMAKE_ARGS+= -DENABLE_PYTHON=ON 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:${PORTSDIR}/devel/boost-python-libs PLIST_SUB+= PYTHON="" .else CMAKE_ARGS+= -DENABLE_PYTHON=OFF @@ -45,6 +49,10 @@ PLIST_SUB+= PYTHON="@comment " .endif post-patch: - @${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|' ${WRKSRC}/doc/CMakeLists.txt .include <bsd.port.mk> diff --git a/science/avogadro/distinfo b/science/avogadro/distinfo index 3912f23272e7..6d0688948c0f 100644 --- a/science/avogadro/distinfo +++ b/science/avogadro/distinfo @@ -1,2 +1,2 @@ -SHA256 (avogadro-1.0.3.tar.bz2) = efb6fda223da3c027436f0c218a47ce804f7469c58b41134230e9ebad1c98468 -SIZE (avogadro-1.0.3.tar.bz2) = 4971989 +SHA256 (avogadro-1.1.0.tar.bz2) = 6b4eaf57ae52bf43df9b103c77e6abae71e067053d5c99f82acbce9855ecceb0 +SIZE (avogadro-1.1.0.tar.bz2) = 10741835 diff --git a/science/avogadro/files/patch-libavogadro__CMakeLists.txt b/science/avogadro/files/patch-libavogadro__CMakeLists.txt deleted file mode 100644 index 0596b8353e93..000000000000 --- a/science/avogadro/files/patch-libavogadro__CMakeLists.txt +++ /dev/null @@ -1,12 +0,0 @@ ---- libavogadro/CMakeLists.txt.orig 2012-11-26 21:38:12.000000000 +0100 -+++ libavogadro/CMakeLists.txt 2012-11-26 21:39:47.000000000 +0100 -@@ -18,7 +18,8 @@ - # Assume all MOC stuff is in the headers, replace .cpp and use qt4_wrap_cpp - # We should probably scan the header to verify the Q_OBJECT macro is used - string(REPLACE ".cpp" ".h" hdr_list "${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 --git a/science/avogadro/pkg-plist b/science/avogadro/pkg-plist index 24349b27f866..5a77d8aa11ff 100644 --- a/science/avogadro/pkg-plist +++ b/science/avogadro/pkg-plist @@ -8,6 +8,8 @@ include/avogadro/color.h 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/molecule.h 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 @@ include/avogadro/protein.h %%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 @@ lib/libavogadro.so.1.0.3 %%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 +%%DATADIR%%/crystals/halides/CaF2-Fluorite.cif +%%DATADIR%%/crystals/halides/CdCl2.cif +%%DATADIR%%/crystals/halides/CdI2.cif +%%DATADIR%%/crystals/halides/CrCl2.cif +%%DATADIR%%/crystals/halides/CrCl3.cif +%%DATADIR%%/crystals/halides/CsCl.cif +%%DATADIR%%/crystals/halides/FeCl3-Molysite.cif +%%DATADIR%%/crystals/halides/HgCl-Calomel.cif +%%DATADIR%%/crystals/halides/KBr.cif +%%DATADIR%%/crystals/halides/KCl-Sylvite.cif +%%DATADIR%%/crystals/halides/NaCl-Halite.cif +%%DATADIR%%/crystals/halides/PbFCl-Matlockite.cif +%%DATADIR%%/crystals/hydrides/KH.cif +%%DATADIR%%/crystals/hydrides/LiH.cif 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+%%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ lib/libavogadro.so.1.0.3 %%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 @@ share/qt4/mkspecs/features/avogadro.prf @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 @@ share/qt4/mkspecs/features/avogadro.prf @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 |