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authorYuri Victorovich <yuri@FreeBSD.org>2021-01-13 04:02:26 +0000
committerYuri Victorovich <yuri@FreeBSD.org>2021-01-13 04:02:26 +0000
commitb7f8e34979cafd8e16c9c8c23dd2110acf2c4648 (patch)
tree5078ead00a6ff68c262f056a5f4f3ba873bbf519 /science/openbabel
parentb9815708354f4f85eea2f376e1dce883f3f48773 (diff)
downloadports-b7f8e34979cafd8e16c9c8c23dd2110acf2c4648.tar.gz
ports-b7f8e34979cafd8e16c9c8c23dd2110acf2c4648.zip
science/openbabel: Update 2.4.1 -> 3.1.1
Notes
Notes: svn path=/head/; revision=561438
Diffstat (limited to 'science/openbabel')
-rw-r--r--science/openbabel/Makefile49
-rw-r--r--science/openbabel/distinfo6
-rw-r--r--science/openbabel/pkg-plist222
3 files changed, 155 insertions, 122 deletions
diff --git a/science/openbabel/Makefile b/science/openbabel/Makefile
index 77dac24ea5e2..720fde3f5aaa 100644
--- a/science/openbabel/Makefile
+++ b/science/openbabel/Makefile
@@ -2,40 +2,45 @@
# $FreeBSD$
PORTNAME= openbabel
-PORTVERSION= 2.4.1
-PORTREVISION= 6
+DISTVERSION= 3.1.1
+DISTVERSIONSUFFIX= -source
CATEGORIES= science
-MASTER_SITES= SF
+MASTER_SITES= https://github.com/openbabel/openbabel/releases/download/openbabel-${PORTVERSION:C/\./-/g}/
MAINTAINER= yuri@FreeBSD.org
COMMENT= Chemical toolbox designed to speak the many languages of chemical data
LICENSE= GPLv2+
-LICENSE_FILE= ${WRKSRC}/COPYING
+
+BUILD_DEPENDS= rapidjson>0:devel/rapidjson
+LIB_DEPENDS= libmaeparser.so:science/maeparser \
+ libcoordgen.so:science/coordgenlibs \
+ libboost_thread.so:devel/boost-libs
CONFLICTS_INSTALL= babel-*
-USES= compiler:c++11-lang cmake eigen:3 gnome
+USES= cmake compiler:c++11-lang eigen:3 gnome pkgconfig tar:bz2
USE_CXXSTD= gnu++98
USE_GNOME= libxml2
USE_LDCONFIG= yes
-PLIST_SUB= VERSION="${PORTVERSION}"
+CMAKE_ON= WITH_COORDGEN WITH_JSON OPENBABEL_USE_SYSTEM_RAPIDJSON WITH_MAEPARSER
+WRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION}
+PLIST_SUB= VERSION=3.1.0 # To be replaced by ${PORTVERSION} nexttime!
-OPTIONS_DEFINE= CAIRO PYTHON GUI
-OPTIONS_DEFAULT= PYTHON GUI
-OPTIONS_SUB= yes
+OPTIONS_DEFINE= CAIRO PYTHON GUI
+OPTIONS_DEFAULT= CAIRO PYTHON GUI
+OPTIONS_SUB= yes
-CAIRO_DESC= PNG support via cairo library
-CAIRO_USES= pkgconfig
-CAIRO_USE= GNOME=cairo
+CAIRO_DESC= PNG support via cairo library
+CAIRO_USE= GNOME=cairo
-PYTHON_USES= python
+PYTHON_USES= python
PYTHON_CMAKE_BOOL= PYTHON_BINDINGS
-GUI_CMAKE_BOOL= BUILD_GUI
-GUI_CMAKE_ON= -DwxWidgets_CONFIG_EXECUTABLE:STRING=${WX_CONFIG}
-GUI_USE= WX=3.0
+GUI_CMAKE_BOOL= BUILD_GUI
+GUI_CMAKE_ON= -DwxWidgets_CONFIG_EXECUTABLE:STRING=${WX_CONFIG}
+GUI_USE= WX=3.0
.include <bsd.port.pre.mk>
@@ -44,14 +49,18 @@ CXXFLAGS+= -Wno-narrowing
USE_CXXSTD= c++11
.endif
-post-patch:
+pre-configure:
${REINPLACE_CMD} -e '/pkgconfig/s,$${LIB_INSTALL_DIR},libdata,' \
${WRKSRC}/CMakeLists.txt
- ${REINPLACE_CMD} -e 's,man/man1,../man/man1,' \
- ${WRKSRC}/doc/CMakeLists.txt
-post-patch-CAIRO-off:
+pre-configure-CAIRO-off:
${REINPLACE_CMD} -e '/find_package(Cairo)/d' \
${WRKSRC}/CMakeLists.txt
+post-install-PYTHON-on:
+ (cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} ${PYTHON_LIBDIR}/compileall.py \
+ -d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,})
+ (cd ${STAGEDIR}${PREFIX} && ${PYTHON_CMD} -O ${PYTHON_LIBDIR}/compileall.py \
+ -d ${PREFIX} -f ${PYTHONPREFIX_SITELIBDIR:S,${PREFIX}/,,})
+
.include <bsd.port.post.mk>
diff --git a/science/openbabel/distinfo b/science/openbabel/distinfo
index 99f6cf54c1d8..6c4c375bfa7b 100644
--- a/science/openbabel/distinfo
+++ b/science/openbabel/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1495085400
-SHA256 (openbabel-2.4.1.tar.gz) = 204136582cdfe51d792000b20202de8950218d617fd9c6e18cee36706a376dfc
-SIZE (openbabel-2.4.1.tar.gz) = 11618304
+TIMESTAMP = 1609084505
+SHA256 (openbabel-3.1.1-source.tar.bz2) = a6ec8381d59ea32a4b241c8b1fbd799acb52be94ab64cdbd72506fb4e2270e68
+SIZE (openbabel-3.1.1-source.tar.bz2) = 27743669
diff --git a/science/openbabel/pkg-plist b/science/openbabel/pkg-plist
index 73374f17b471..e63c526cf127 100644
--- a/science/openbabel/pkg-plist
+++ b/science/openbabel/pkg-plist
@@ -1,14 +1,14 @@
-bin/babel
bin/obabel
-bin/obchiral
bin/obconformer
bin/obdistgen
bin/obenergy
bin/obfit
+bin/obfitall
bin/obgen
bin/obgrep
%%GUI%%bin/obgui
bin/obminimize
+bin/obmm
bin/obprobe
bin/obprop
bin/obrms
@@ -20,96 +20,106 @@ bin/obtautomer
bin/obthermo
bin/roundtrip
include/inchi/inchi_api.h
-include/openbabel-2.0/openbabel/alias.h
-include/openbabel-2.0/openbabel/atom.h
-include/openbabel-2.0/openbabel/atomclass.h
-include/openbabel-2.0/openbabel/babelconfig.h
-include/openbabel-2.0/openbabel/base.h
-include/openbabel-2.0/openbabel/bitvec.h
-include/openbabel-2.0/openbabel/bond.h
-include/openbabel-2.0/openbabel/bondtyper.h
-include/openbabel-2.0/openbabel/builder.h
-include/openbabel-2.0/openbabel/canon.h
-include/openbabel-2.0/openbabel/chains.h
-include/openbabel-2.0/openbabel/chargemodel.h
-include/openbabel-2.0/openbabel/chemdrawcdx.h
-include/openbabel-2.0/openbabel/chiral.h
-include/openbabel-2.0/openbabel/conformersearch.h
-include/openbabel-2.0/openbabel/data.h
-include/openbabel-2.0/openbabel/data_utilities.h
-include/openbabel-2.0/openbabel/descriptor.h
-include/openbabel-2.0/openbabel/distgeom.h
-include/openbabel-2.0/openbabel/dlhandler.h
-include/openbabel-2.0/openbabel/fingerprint.h
-include/openbabel-2.0/openbabel/forcefield.h
-include/openbabel-2.0/openbabel/format.h
-include/openbabel-2.0/openbabel/generic.h
-include/openbabel-2.0/openbabel/graphsym.h
-include/openbabel-2.0/openbabel/grid.h
-include/openbabel-2.0/openbabel/griddata.h
-include/openbabel-2.0/openbabel/groupcontrib.h
-include/openbabel-2.0/openbabel/inchiformat.h
-include/openbabel-2.0/openbabel/internalcoord.h
-include/openbabel-2.0/openbabel/isomorphism.h
-include/openbabel-2.0/openbabel/json/customwriter.h
-include/openbabel-2.0/openbabel/json/json-forwards.h
-include/openbabel-2.0/openbabel/json/json.h
-include/openbabel-2.0/openbabel/kinetics.h
-include/openbabel-2.0/openbabel/lineend.h
-include/openbabel-2.0/openbabel/locale.h
-include/openbabel-2.0/openbabel/math/align.h
-include/openbabel-2.0/openbabel/math/erf.h
-include/openbabel-2.0/openbabel/math/matrix3x3.h
-include/openbabel-2.0/openbabel/math/spacegroup.h
-include/openbabel-2.0/openbabel/math/transform3d.h
-include/openbabel-2.0/openbabel/math/vector3.h
-include/openbabel-2.0/openbabel/matrix.h
-include/openbabel-2.0/openbabel/mcdlutil.h
-include/openbabel-2.0/openbabel/mol.h
-include/openbabel-2.0/openbabel/molchrg.h
-include/openbabel-2.0/openbabel/obconversion.h
-include/openbabel-2.0/openbabel/oberror.h
-include/openbabel-2.0/openbabel/obiter.h
-include/openbabel-2.0/openbabel/obmolecformat.h
-include/openbabel-2.0/openbabel/obutil.h
-include/openbabel-2.0/openbabel/op.h
-include/openbabel-2.0/openbabel/optransform.h
-include/openbabel-2.0/openbabel/parsmart.h
-include/openbabel-2.0/openbabel/patty.h
-include/openbabel-2.0/openbabel/phmodel.h
-include/openbabel-2.0/openbabel/plugin.h
-include/openbabel-2.0/openbabel/pointgroup.h
-include/openbabel-2.0/openbabel/query.h
-include/openbabel-2.0/openbabel/rand.h
-include/openbabel-2.0/openbabel/reaction.h
-include/openbabel-2.0/openbabel/residue.h
-include/openbabel-2.0/openbabel/ring.h
-include/openbabel-2.0/openbabel/rotamer.h
-include/openbabel-2.0/openbabel/rotor.h
-include/openbabel-2.0/openbabel/shared_ptr.h
-include/openbabel-2.0/openbabel/spectrophore.h
-include/openbabel-2.0/openbabel/stereo/bindings.h
-include/openbabel-2.0/openbabel/stereo/cistrans.h
-include/openbabel-2.0/openbabel/stereo/squareplanar.h
-include/openbabel-2.0/openbabel/stereo/stereo.h
-include/openbabel-2.0/openbabel/stereo/tetrahedral.h
-include/openbabel-2.0/openbabel/stereo/tetranonplanar.h
-include/openbabel-2.0/openbabel/stereo/tetraplanar.h
-include/openbabel-2.0/openbabel/tautomer.h
-include/openbabel-2.0/openbabel/text.h
-include/openbabel-2.0/openbabel/tokenst.h
-include/openbabel-2.0/openbabel/typer.h
-include/openbabel-2.0/openbabel/xml.h
-lib/cmake/openbabel2/OpenBabel2Config.cmake
-lib/cmake/openbabel2/OpenBabel2ConfigVersion.cmake
-lib/cmake/openbabel2/OpenBabel2_EXPORTS-%%CMAKE_BUILD_TYPE%%.cmake
-lib/cmake/openbabel2/OpenBabel2_EXPORTS.cmake
+include/openbabel3/LBFGS.h
+include/openbabel3/LBFGS/LineSearchBacktracking.h
+include/openbabel3/LBFGS/LineSearchBracketing.h
+include/openbabel3/LBFGS/LineSearchNocedalWright.h
+include/openbabel3/LBFGS/Param.h
+include/openbabel3/openbabel/alias.h
+include/openbabel3/openbabel/atom.h
+include/openbabel3/openbabel/babelconfig.h
+include/openbabel3/openbabel/base.h
+include/openbabel3/openbabel/bitvec.h
+include/openbabel3/openbabel/bond.h
+include/openbabel3/openbabel/bondtyper.h
+include/openbabel3/openbabel/builder.h
+include/openbabel3/openbabel/canon.h
+include/openbabel3/openbabel/chains.h
+include/openbabel3/openbabel/chargemodel.h
+include/openbabel3/openbabel/chemdrawcdx.h
+include/openbabel3/openbabel/conformersearch.h
+include/openbabel3/openbabel/data.h
+include/openbabel3/openbabel/data_utilities.h
+include/openbabel3/openbabel/depict/asciipainter.h
+include/openbabel3/openbabel/depict/cairopainter.h
+include/openbabel3/openbabel/depict/commandpainter.h
+include/openbabel3/openbabel/depict/depict.h
+include/openbabel3/openbabel/depict/painter.h
+include/openbabel3/openbabel/depict/svgpainter.h
+include/openbabel3/openbabel/descriptor.h
+include/openbabel3/openbabel/distgeom.h
+include/openbabel3/openbabel/dlhandler.h
+include/openbabel3/openbabel/elements.h
+include/openbabel3/openbabel/fingerprint.h
+include/openbabel3/openbabel/forcefield.h
+include/openbabel3/openbabel/format.h
+include/openbabel3/openbabel/generic.h
+include/openbabel3/openbabel/graphsym.h
+include/openbabel3/openbabel/grid.h
+include/openbabel3/openbabel/griddata.h
+include/openbabel3/openbabel/groupcontrib.h
+include/openbabel3/openbabel/inchiformat.h
+include/openbabel3/openbabel/internalcoord.h
+include/openbabel3/openbabel/isomorphism.h
+include/openbabel3/openbabel/json.h
+include/openbabel3/openbabel/kekulize.h
+include/openbabel3/openbabel/kinetics.h
+include/openbabel3/openbabel/lineend.h
+include/openbabel3/openbabel/locale.h
+include/openbabel3/openbabel/math/align.h
+include/openbabel3/openbabel/math/erf.h
+include/openbabel3/openbabel/math/matrix3x3.h
+include/openbabel3/openbabel/math/spacegroup.h
+include/openbabel3/openbabel/math/transform3d.h
+include/openbabel3/openbabel/math/vector3.h
+include/openbabel3/openbabel/matrix.h
+include/openbabel3/openbabel/mcdlutil.h
+include/openbabel3/openbabel/mol.h
+include/openbabel3/openbabel/molchrg.h
+include/openbabel3/openbabel/obconversion.h
+include/openbabel3/openbabel/oberror.h
+include/openbabel3/openbabel/obfunctions.h
+include/openbabel3/openbabel/obiter.h
+include/openbabel3/openbabel/obmolecformat.h
+include/openbabel3/openbabel/obutil.h
+include/openbabel3/openbabel/op.h
+include/openbabel3/openbabel/optransform.h
+include/openbabel3/openbabel/parsmart.h
+include/openbabel3/openbabel/patty.h
+include/openbabel3/openbabel/phmodel.h
+include/openbabel3/openbabel/plugin.h
+include/openbabel3/openbabel/pointgroup.h
+include/openbabel3/openbabel/query.h
+include/openbabel3/openbabel/reaction.h
+include/openbabel3/openbabel/reactionfacade.h
+include/openbabel3/openbabel/residue.h
+include/openbabel3/openbabel/ring.h
+include/openbabel3/openbabel/rotamer.h
+include/openbabel3/openbabel/rotor.h
+include/openbabel3/openbabel/shared_ptr.h
+include/openbabel3/openbabel/spectrophore.h
+include/openbabel3/openbabel/stereo/bindings.h
+include/openbabel3/openbabel/stereo/cistrans.h
+include/openbabel3/openbabel/stereo/squareplanar.h
+include/openbabel3/openbabel/stereo/stereo.h
+include/openbabel3/openbabel/stereo/tetrahedral.h
+include/openbabel3/openbabel/stereo/tetranonplanar.h
+include/openbabel3/openbabel/stereo/tetraplanar.h
+include/openbabel3/openbabel/tautomer.h
+include/openbabel3/openbabel/text.h
+include/openbabel3/openbabel/tokenst.h
+include/openbabel3/openbabel/typer.h
+include/openbabel3/openbabel/xml.h
+lib/cmake/openbabel3/OpenBabel3Config.cmake
+lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
+lib/cmake/openbabel3/OpenBabel3_EXPORTS-%%CMAKE_BUILD_TYPE%%.cmake
+lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
lib/libinchi.so
lib/libinchi.so.0
lib/libinchi.so.0.4.1
lib/libopenbabel.so
-lib/libopenbabel.so.5
-lib/libopenbabel.so.5.0.0
+lib/libopenbabel.so.7
+lib/libopenbabel.so.7.0.0
lib/openbabel/%%VERSION%%/APIInterface.so
lib/openbabel/%%VERSION%%/CSRformat.so
lib/openbabel/%%VERSION%%/MCDLformat.so
@@ -141,6 +151,7 @@ lib/openbabel/%%VERSION%%/chemtoolformat.so
lib/openbabel/%%VERSION%%/cifformat.so
lib/openbabel/%%VERSION%%/cmlformat.so
lib/openbabel/%%VERSION%%/cmlreactformat.so
+lib/openbabel/%%VERSION%%/cofformat.so
lib/openbabel/%%VERSION%%/confabreport.so
lib/openbabel/%%VERSION%%/copyformat.so
lib/openbabel/%%VERSION%%/crkformat.so
@@ -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