mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-28 05:29:48 +00:00
science/openbabel: Update 2.4.1 -> 3.1.1
This commit is contained in:
Yuri Victorovich
parent
b981570835
commit
b7f8e34979
Notes:
svn2git
2021-03-31 03:12:20 +00:00
svn path=/head/; revision=561438
@ -2,32 +2,37 @@
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# $FreeBSD$
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PORTNAME= openbabel
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PORTVERSION= 2.4.1
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PORTREVISION= 6
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DISTVERSION= 3.1.1
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DISTVERSIONSUFFIX= -source
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CATEGORIES= science
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MASTER_SITES= SF
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MASTER_SITES= https://github.com/openbabel/openbabel/releases/download/openbabel-${PORTVERSION:C/\./-/g}/
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Chemical toolbox designed to speak the many languages of chemical data
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LICENSE= GPLv2+
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LICENSE_FILE= ${WRKSRC}/COPYING
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BUILD_DEPENDS= rapidjson>0:devel/rapidjson
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LIB_DEPENDS= libmaeparser.so:science/maeparser \
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libcoordgen.so:science/coordgenlibs \
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libboost_thread.so:devel/boost-libs
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CONFLICTS_INSTALL= babel-*
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USES= compiler:c++11-lang cmake eigen:3 gnome
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USES= cmake compiler:c++11-lang eigen:3 gnome pkgconfig tar:bz2
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USE_CXXSTD= gnu++98
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USE_GNOME= libxml2
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USE_LDCONFIG= yes
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PLIST_SUB= VERSION="${PORTVERSION}"
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CMAKE_ON= WITH_COORDGEN WITH_JSON OPENBABEL_USE_SYSTEM_RAPIDJSON WITH_MAEPARSER
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WRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION}
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PLIST_SUB= VERSION=3.1.0 # To be replaced by ${PORTVERSION} nexttime!
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OPTIONS_DEFINE= CAIRO PYTHON GUI
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OPTIONS_DEFAULT= PYTHON GUI
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OPTIONS_DEFAULT= CAIRO PYTHON GUI
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OPTIONS_SUB= yes
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CAIRO_DESC= PNG support via cairo library
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CAIRO_USES= pkgconfig
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CAIRO_USE= GNOME=cairo
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PYTHON_USES= python
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@ -44,14 +49,18 @@ CXXFLAGS+= -Wno-narrowing
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USE_CXXSTD= c++11
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.endif
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post-patch:
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pre-configure:
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${REINPLACE_CMD} -e '/pkgconfig/s,$${LIB_INSTALL_DIR},libdata,' \
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${WRKSRC}/CMakeLists.txt
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${REINPLACE_CMD} -e 's,man/man1,../man/man1,' \
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${WRKSRC}/doc/CMakeLists.txt
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post-patch-CAIRO-off:
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pre-configure-CAIRO-off:
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${REINPLACE_CMD} -e '/find_package(Cairo)/d' \
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${WRKSRC}/CMakeLists.txt
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post-install-PYTHON-on:
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(cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} ${PYTHON_LIBDIR}/compileall.py \
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-d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,})
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(cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} -O ${PYTHON_LIBDIR}/compileall.py \
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-d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,})
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.include <bsd.port.post.mk>
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@ -1,3 +1,3 @@
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TIMESTAMP = 1495085400
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SHA256 (openbabel-2.4.1.tar.gz) = 204136582cdfe51d792000b20202de8950218d617fd9c6e18cee36706a376dfc
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SIZE (openbabel-2.4.1.tar.gz) = 11618304
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TIMESTAMP = 1609084505
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SHA256 (openbabel-3.1.1-source.tar.bz2) = a6ec8381d59ea32a4b241c8b1fbd799acb52be94ab64cdbd72506fb4e2270e68
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SIZE (openbabel-3.1.1-source.tar.bz2) = 27743669
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@ -1,14 +1,14 @@
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bin/babel
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bin/obabel
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bin/obchiral
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bin/obconformer
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bin/obdistgen
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bin/obenergy
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bin/obfit
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bin/obfitall
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bin/obgen
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bin/obgrep
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%%GUI%%bin/obgui
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bin/obminimize
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bin/obmm
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bin/obprobe
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bin/obprop
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bin/obrms
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@ -20,96 +20,106 @@ bin/obtautomer
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bin/obthermo
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bin/roundtrip
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include/inchi/inchi_api.h
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include/openbabel-2.0/openbabel/alias.h
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include/openbabel-2.0/openbabel/atom.h
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include/openbabel-2.0/openbabel/atomclass.h
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include/openbabel-2.0/openbabel/babelconfig.h
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include/openbabel-2.0/openbabel/base.h
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include/openbabel-2.0/openbabel/bitvec.h
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include/openbabel-2.0/openbabel/bond.h
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include/openbabel-2.0/openbabel/bondtyper.h
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include/openbabel-2.0/openbabel/builder.h
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include/openbabel-2.0/openbabel/canon.h
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include/openbabel-2.0/openbabel/chains.h
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include/openbabel-2.0/openbabel/chargemodel.h
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include/openbabel-2.0/openbabel/chemdrawcdx.h
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include/openbabel-2.0/openbabel/chiral.h
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include/openbabel-2.0/openbabel/conformersearch.h
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include/openbabel-2.0/openbabel/data.h
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include/openbabel-2.0/openbabel/data_utilities.h
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include/openbabel-2.0/openbabel/descriptor.h
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include/openbabel-2.0/openbabel/distgeom.h
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include/openbabel-2.0/openbabel/dlhandler.h
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include/openbabel-2.0/openbabel/fingerprint.h
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include/openbabel-2.0/openbabel/forcefield.h
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include/openbabel-2.0/openbabel/format.h
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include/openbabel-2.0/openbabel/generic.h
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include/openbabel-2.0/openbabel/graphsym.h
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include/openbabel-2.0/openbabel/grid.h
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include/openbabel-2.0/openbabel/griddata.h
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include/openbabel-2.0/openbabel/groupcontrib.h
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include/openbabel-2.0/openbabel/inchiformat.h
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include/openbabel-2.0/openbabel/internalcoord.h
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include/openbabel-2.0/openbabel/isomorphism.h
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include/openbabel-2.0/openbabel/json/customwriter.h
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include/openbabel-2.0/openbabel/json/json-forwards.h
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include/openbabel-2.0/openbabel/json/json.h
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include/openbabel-2.0/openbabel/kinetics.h
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include/openbabel-2.0/openbabel/lineend.h
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include/openbabel-2.0/openbabel/locale.h
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include/openbabel-2.0/openbabel/math/align.h
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include/openbabel-2.0/openbabel/math/erf.h
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include/openbabel-2.0/openbabel/math/matrix3x3.h
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include/openbabel-2.0/openbabel/math/spacegroup.h
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include/openbabel-2.0/openbabel/math/transform3d.h
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include/openbabel-2.0/openbabel/math/vector3.h
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include/openbabel-2.0/openbabel/matrix.h
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include/openbabel-2.0/openbabel/mcdlutil.h
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include/openbabel-2.0/openbabel/mol.h
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include/openbabel-2.0/openbabel/molchrg.h
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include/openbabel-2.0/openbabel/obconversion.h
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include/openbabel-2.0/openbabel/oberror.h
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include/openbabel-2.0/openbabel/obiter.h
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include/openbabel-2.0/openbabel/obmolecformat.h
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include/openbabel-2.0/openbabel/obutil.h
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include/openbabel-2.0/openbabel/op.h
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include/openbabel-2.0/openbabel/optransform.h
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include/openbabel-2.0/openbabel/parsmart.h
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include/openbabel-2.0/openbabel/patty.h
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include/openbabel-2.0/openbabel/phmodel.h
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include/openbabel-2.0/openbabel/plugin.h
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include/openbabel-2.0/openbabel/pointgroup.h
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include/openbabel-2.0/openbabel/query.h
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include/openbabel-2.0/openbabel/rand.h
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include/openbabel-2.0/openbabel/reaction.h
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include/openbabel-2.0/openbabel/residue.h
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include/openbabel-2.0/openbabel/ring.h
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include/openbabel-2.0/openbabel/rotamer.h
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include/openbabel-2.0/openbabel/rotor.h
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include/openbabel-2.0/openbabel/shared_ptr.h
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include/openbabel-2.0/openbabel/spectrophore.h
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include/openbabel-2.0/openbabel/stereo/bindings.h
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include/openbabel-2.0/openbabel/stereo/cistrans.h
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include/openbabel-2.0/openbabel/stereo/squareplanar.h
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include/openbabel-2.0/openbabel/stereo/stereo.h
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include/openbabel-2.0/openbabel/stereo/tetrahedral.h
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include/openbabel-2.0/openbabel/stereo/tetranonplanar.h
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include/openbabel-2.0/openbabel/stereo/tetraplanar.h
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include/openbabel-2.0/openbabel/tautomer.h
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include/openbabel-2.0/openbabel/text.h
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include/openbabel-2.0/openbabel/tokenst.h
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include/openbabel-2.0/openbabel/typer.h
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include/openbabel-2.0/openbabel/xml.h
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lib/cmake/openbabel2/OpenBabel2Config.cmake
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lib/cmake/openbabel2/OpenBabel2ConfigVersion.cmake
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lib/cmake/openbabel2/OpenBabel2_EXPORTS-%%CMAKE_BUILD_TYPE%%.cmake
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lib/cmake/openbabel2/OpenBabel2_EXPORTS.cmake
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include/openbabel3/LBFGS.h
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include/openbabel3/LBFGS/LineSearchBacktracking.h
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include/openbabel3/LBFGS/LineSearchBracketing.h
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include/openbabel3/LBFGS/LineSearchNocedalWright.h
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include/openbabel3/LBFGS/Param.h
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include/openbabel3/openbabel/alias.h
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include/openbabel3/openbabel/atom.h
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include/openbabel3/openbabel/babelconfig.h
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include/openbabel3/openbabel/base.h
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include/openbabel3/openbabel/bitvec.h
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include/openbabel3/openbabel/bond.h
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include/openbabel3/openbabel/bondtyper.h
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include/openbabel3/openbabel/builder.h
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include/openbabel3/openbabel/canon.h
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include/openbabel3/openbabel/chains.h
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include/openbabel3/openbabel/chargemodel.h
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include/openbabel3/openbabel/chemdrawcdx.h
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include/openbabel3/openbabel/conformersearch.h
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include/openbabel3/openbabel/data.h
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include/openbabel3/openbabel/data_utilities.h
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include/openbabel3/openbabel/depict/asciipainter.h
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include/openbabel3/openbabel/depict/cairopainter.h
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include/openbabel3/openbabel/depict/commandpainter.h
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include/openbabel3/openbabel/depict/depict.h
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include/openbabel3/openbabel/depict/painter.h
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include/openbabel3/openbabel/depict/svgpainter.h
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include/openbabel3/openbabel/descriptor.h
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include/openbabel3/openbabel/distgeom.h
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include/openbabel3/openbabel/dlhandler.h
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include/openbabel3/openbabel/elements.h
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include/openbabel3/openbabel/fingerprint.h
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include/openbabel3/openbabel/forcefield.h
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include/openbabel3/openbabel/format.h
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include/openbabel3/openbabel/generic.h
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include/openbabel3/openbabel/graphsym.h
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include/openbabel3/openbabel/grid.h
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include/openbabel3/openbabel/griddata.h
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include/openbabel3/openbabel/groupcontrib.h
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include/openbabel3/openbabel/inchiformat.h
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include/openbabel3/openbabel/internalcoord.h
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include/openbabel3/openbabel/isomorphism.h
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include/openbabel3/openbabel/json.h
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include/openbabel3/openbabel/kekulize.h
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include/openbabel3/openbabel/kinetics.h
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include/openbabel3/openbabel/lineend.h
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include/openbabel3/openbabel/locale.h
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include/openbabel3/openbabel/math/align.h
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include/openbabel3/openbabel/math/erf.h
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include/openbabel3/openbabel/math/matrix3x3.h
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include/openbabel3/openbabel/math/spacegroup.h
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include/openbabel3/openbabel/math/transform3d.h
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include/openbabel3/openbabel/math/vector3.h
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include/openbabel3/openbabel/matrix.h
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include/openbabel3/openbabel/mcdlutil.h
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include/openbabel3/openbabel/mol.h
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include/openbabel3/openbabel/molchrg.h
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include/openbabel3/openbabel/obconversion.h
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include/openbabel3/openbabel/oberror.h
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include/openbabel3/openbabel/obfunctions.h
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include/openbabel3/openbabel/obiter.h
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include/openbabel3/openbabel/obmolecformat.h
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include/openbabel3/openbabel/obutil.h
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include/openbabel3/openbabel/op.h
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include/openbabel3/openbabel/optransform.h
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include/openbabel3/openbabel/parsmart.h
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include/openbabel3/openbabel/patty.h
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include/openbabel3/openbabel/phmodel.h
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include/openbabel3/openbabel/plugin.h
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include/openbabel3/openbabel/pointgroup.h
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include/openbabel3/openbabel/query.h
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include/openbabel3/openbabel/reaction.h
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include/openbabel3/openbabel/reactionfacade.h
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include/openbabel3/openbabel/residue.h
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include/openbabel3/openbabel/ring.h
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include/openbabel3/openbabel/rotamer.h
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include/openbabel3/openbabel/rotor.h
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include/openbabel3/openbabel/shared_ptr.h
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include/openbabel3/openbabel/spectrophore.h
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include/openbabel3/openbabel/stereo/bindings.h
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include/openbabel3/openbabel/stereo/cistrans.h
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include/openbabel3/openbabel/stereo/squareplanar.h
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include/openbabel3/openbabel/stereo/stereo.h
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include/openbabel3/openbabel/stereo/tetrahedral.h
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include/openbabel3/openbabel/stereo/tetranonplanar.h
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include/openbabel3/openbabel/stereo/tetraplanar.h
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include/openbabel3/openbabel/tautomer.h
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include/openbabel3/openbabel/text.h
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include/openbabel3/openbabel/tokenst.h
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include/openbabel3/openbabel/typer.h
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include/openbabel3/openbabel/xml.h
|
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lib/cmake/openbabel3/OpenBabel3Config.cmake
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lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
|
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lib/cmake/openbabel3/OpenBabel3_EXPORTS-%%CMAKE_BUILD_TYPE%%.cmake
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lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
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lib/libinchi.so
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lib/libinchi.so.0
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lib/libinchi.so.0.4.1
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lib/libopenbabel.so
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lib/libopenbabel.so.5
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lib/libopenbabel.so.5.0.0
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lib/libopenbabel.so.7
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lib/libopenbabel.so.7.0.0
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lib/openbabel/%%VERSION%%/APIInterface.so
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lib/openbabel/%%VERSION%%/CSRformat.so
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lib/openbabel/%%VERSION%%/MCDLformat.so
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@ -141,6 +151,7 @@ lib/openbabel/%%VERSION%%/chemtoolformat.so
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lib/openbabel/%%VERSION%%/cifformat.so
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lib/openbabel/%%VERSION%%/cmlformat.so
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lib/openbabel/%%VERSION%%/cmlreactformat.so
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lib/openbabel/%%VERSION%%/cofformat.so
|
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lib/openbabel/%%VERSION%%/confabreport.so
|
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lib/openbabel/%%VERSION%%/copyformat.so
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||||
lib/openbabel/%%VERSION%%/crkformat.so
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@ -173,6 +184,7 @@ lib/openbabel/%%VERSION%%/inchiformat.so
|
||||
lib/openbabel/%%VERSION%%/jaguarformat.so
|
||||
lib/openbabel/%%VERSION%%/lmpdatformat.so
|
||||
lib/openbabel/%%VERSION%%/lpmdformat.so
|
||||
lib/openbabel/%%VERSION%%/maeformat.so
|
||||
lib/openbabel/%%VERSION%%/mdffformat.so
|
||||
lib/openbabel/%%VERSION%%/mdlformat.so
|
||||
lib/openbabel/%%VERSION%%/mmcifformat.so
|
||||
@ -211,6 +223,7 @@ lib/openbabel/%%VERSION%%/pubchemjsonformat.so
|
||||
lib/openbabel/%%VERSION%%/pwscfformat.so
|
||||
lib/openbabel/%%VERSION%%/qchemformat.so
|
||||
lib/openbabel/%%VERSION%%/reportformat.so
|
||||
lib/openbabel/%%VERSION%%/rinchiformat.so
|
||||
lib/openbabel/%%VERSION%%/rsmiformat.so
|
||||
lib/openbabel/%%VERSION%%/rxnformat.so
|
||||
lib/openbabel/%%VERSION%%/shelxformat.so
|
||||
@ -227,20 +240,28 @@ lib/openbabel/%%VERSION%%/turbomoleformat.so
|
||||
lib/openbabel/%%VERSION%%/unichemformat.so
|
||||
lib/openbabel/%%VERSION%%/vaspformat.so
|
||||
lib/openbabel/%%VERSION%%/viewmolformat.so
|
||||
lib/openbabel/%%VERSION%%/wlnformat.so
|
||||
lib/openbabel/%%VERSION%%/xedformat.so
|
||||
lib/openbabel/%%VERSION%%/xmlformat.so
|
||||
lib/openbabel/%%VERSION%%/xsfformat.so
|
||||
lib/openbabel/%%VERSION%%/xyzformat.so
|
||||
lib/openbabel/%%VERSION%%/yasaraformat.so
|
||||
lib/openbabel/%%VERSION%%/zindoformat.so
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/_openbabel.so
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel.py
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/pybel.py
|
||||
libdata/pkgconfig/openbabel-2.0.pc
|
||||
man/man1/babel.1.gz
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__init__.py
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/__init__.cpython-37.opt-1.pyc
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/__init__.cpython-37.pyc
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/openbabel.cpython-37.opt-1.pyc
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/openbabel.cpython-37.pyc
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/pybel.cpython-37.opt-1.pyc
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/__pycache__/pybel.cpython-37.pyc
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/_openbabel.so
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/openbabel.py
|
||||
%%PYTHON%%%%PYTHON_SITELIBDIR%%/openbabel/pybel.py
|
||||
libdata/pkgconfig/openbabel-3.pc
|
||||
man/man1/obabel.1.gz
|
||||
man/man1/obchiral.1.gz
|
||||
man/man1/obconformer.1.gz
|
||||
man/man1/obdistgen.1.gz
|
||||
man/man1/obenergy.1.gz
|
||||
man/man1/obfit.1.gz
|
||||
man/man1/obgen.1.gz
|
||||
@ -249,14 +270,17 @@ man/man1/obgui.1.gz
|
||||
man/man1/obminimize.1.gz
|
||||
man/man1/obprobe.1.gz
|
||||
man/man1/obprop.1.gz
|
||||
man/man1/obrms.1.gz
|
||||
man/man1/obrotamer.1.gz
|
||||
man/man1/obrotate.1.gz
|
||||
man/man1/obspectrophore.1.gz
|
||||
man/man1/obsym.1.gz
|
||||
man/man1/obtautomer.1.gz
|
||||
man/man1/obthermo.1.gz
|
||||
man/man1/roundtrip.1.gz
|
||||
%%DATADIR%%/%%VERSION%%/MACCS.txt
|
||||
%%DATADIR%%/%%VERSION%%/SMARTS_InteLigand.txt
|
||||
%%DATADIR%%/%%VERSION%%/UFF.prm
|
||||
%%DATADIR%%/%%VERSION%%/aromatic.txt
|
||||
%%DATADIR%%/%%VERSION%%/atomization-energies.txt
|
||||
%%DATADIR%%/%%VERSION%%/atomtyp.txt
|
||||
%%DATADIR%%/%%VERSION%%/babel_povray3.inc
|
||||
@ -268,16 +292,11 @@ man/man1/roundtrip.1.gz
|
||||
%%DATADIR%%/%%VERSION%%/eem2015ha.txt
|
||||
%%DATADIR%%/%%VERSION%%/eem2015hm.txt
|
||||
%%DATADIR%%/%%VERSION%%/eem2015hn.txt
|
||||
%%DATADIR%%/%%VERSION%%/element.txt
|
||||
%%DATADIR%%/%%VERSION%%/eqeqIonizations.txt
|
||||
%%DATADIR%%/%%VERSION%%/fragments.txt
|
||||
%%DATADIR%%/%%VERSION%%/gaff.dat
|
||||
%%DATADIR%%/%%VERSION%%/gaff.prm
|
||||
%%DATADIR%%/%%VERSION%%/ghemical.prm
|
||||
%%DATADIR%%/%%VERSION%%/isotope-small.txt
|
||||
%%DATADIR%%/%%VERSION%%/isotope.txt
|
||||
%%DATADIR%%/%%VERSION%%/logp.txt
|
||||
%%DATADIR%%/%%VERSION%%/mpC.txt
|
||||
%%DATADIR%%/%%VERSION%%/mmff94.ff
|
||||
%%DATADIR%%/%%VERSION%%/mmff94s.ff
|
||||
%%DATADIR%%/%%VERSION%%/mmffang.par
|
||||
@ -294,6 +313,7 @@ man/man1/roundtrip.1.gz
|
||||
%%DATADIR%%/%%VERSION%%/mmffstbn.par
|
||||
%%DATADIR%%/%%VERSION%%/mmfftor.par
|
||||
%%DATADIR%%/%%VERSION%%/mmffvdw.par
|
||||
%%DATADIR%%/%%VERSION%%/mpC.txt
|
||||
%%DATADIR%%/%%VERSION%%/mr.txt
|
||||
%%DATADIR%%/%%VERSION%%/patterns.txt
|
||||
%%DATADIR%%/%%VERSION%%/phmodel.txt
|
||||
@ -301,6 +321,9 @@ man/man1/roundtrip.1.gz
|
||||
%%DATADIR%%/%%VERSION%%/psa.txt
|
||||
%%DATADIR%%/%%VERSION%%/qeq.txt
|
||||
%%DATADIR%%/%%VERSION%%/resdata.txt
|
||||
%%DATADIR%%/%%VERSION%%/rigid-fragments-index.txt
|
||||
%%DATADIR%%/%%VERSION%%/rigid-fragments.txt
|
||||
%%DATADIR%%/%%VERSION%%/ring-fragments.txt
|
||||
%%DATADIR%%/%%VERSION%%/ringtyp.txt
|
||||
%%DATADIR%%/%%VERSION%%/space-groups.txt
|
||||
%%DATADIR%%/%%VERSION%%/splash.png
|
||||
@ -308,4 +331,5 @@ man/man1/roundtrip.1.gz
|
||||
%%DATADIR%%/%%VERSION%%/svgformat.script
|
||||
%%DATADIR%%/%%VERSION%%/templates.sdf
|
||||
%%DATADIR%%/%%VERSION%%/torlib.txt
|
||||
%%DATADIR%%/%%VERSION%%/torsion.txt
|
||||
%%DATADIR%%/%%VERSION%%/types.txt
|
||||
|
||||
Loading…
Reference in New Issue
Block a user