git: e2d8c2cf8a93 - main - science/{,py-}avogadrolibs: update 1.97.0 → 1.99.0
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Date: Mon, 12 Feb 2024 23:07:42 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=e2d8c2cf8a931140a60759f2b4cf274df94dd9f4
commit e2d8c2cf8a931140a60759f2b4cf274df94dd9f4
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2024-02-12 14:27:04 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2024-02-12 23:07:35 +0000
science/{,py-}avogadrolibs: update 1.97.0 → 1.99.0
Reported by: portscout
---
science/avogadrolibs/Makefile | 16 +-
science/avogadrolibs/distinfo | 8 +-
science/avogadrolibs/files/patch-CMakeLists.txt | 4 +-
...-avogadro_qtplugins_templatetool_CMakeLists.txt | 13 +
...ro_rendering_ambientocclusionspheregeometry.cpp | 29 -
.../patch-avogadro_rendering_spheregeometry.cpp | 11 -
science/avogadrolibs/pkg-plist | 853 ++++++++++++++++++++-
.../files/patch-compoundviewer_CMakeLists.txt | 13 +
science/py-avogadrolibs/Makefile | 7 +-
science/py-avogadrolibs/distinfo | 6 +-
science/py-avogadrolibs/files/patch-CMakeLists.txt | 15 +-
11 files changed, 893 insertions(+), 82 deletions(-)
diff --git a/science/avogadrolibs/Makefile b/science/avogadrolibs/Makefile
index c4a14c195afb..bae7ea299080 100644
--- a/science/avogadrolibs/Makefile
+++ b/science/avogadrolibs/Makefile
@@ -1,6 +1,5 @@
PORTNAME= avogadrolibs
-DISTVERSION= 1.97.0
-PORTREVISION= 3
+DISTVERSION= 1.99.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
@@ -13,19 +12,20 @@ LICENSE_FILE= ${WRKSRC}/LICENSE
TEST_DEPENDS= googletest>0:devel/googletest \
molequeue>0:misc/molequeue
-USES= cmake:testing compiler:c++17-lang eigen:3,build,run # eigen needs to be 'run' because it is written into cmake files
+USES= cmake:testing compiler:c++17-lang eigen:3,build,run localbase # eigen needs to be 'run' because it is written into cmake files
USE_LDCONFIG= yes
USE_GITHUB= yes
GH_ACCOUNT= OpenChemistry
GH_TUPLE= OpenChemistry:molecules:b1e16c5:molecules/../molecules \
- OpenChemistry:crystals:73a5bbc:crystals/../crystals
+ OpenChemistry:crystals:73a5bbc:crystals/../crystals \
+ OpenChemistry:fragments:8dc711a:fragments/../fragments
CMAKE_ON= BUILD_SHARED_LIBS
CMAKE_TESTING_ON= ENABLE_TESTING
OPTIONS_DEFINE= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB VTK
-OPTIONS_DEFAULT= LIBARCHIVE LIBMSYM OPENGL QT5 SPGLIB # MMTF
+OPTIONS_DEFAULT= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB
OPTIONS_SUB= yes
HDF5_CMAKE_BOOL= USE_HDF5
@@ -44,8 +44,8 @@ LIBMSYM_IMPLIES= QT5 # enables the 'symmetry' Qt plugin
MMTF_DESC= Enable optional features using mmtf
MMTF_CMAKE_BOOL= USE_MMTF
-MMTF_BUILD_DEPENDS= mmtf-cpp>0:science/mmtf-cpp
-MMTF_BROKEN= see https://github.com/OpenChemistry/avogadrolibs/issues/1185
+MMTF_BUILD_DEPENDS= mmtf-cpp>0:science/mmtf-cpp \
+ ${LOCALBASE}/include/boost/predef/other/endian.h:devel/boost-libs # needed by /usr/local/include/msgpack/sysdep.hpp:102 while boost is an optional dependency there
OPENGL_CMAKE_BOOL= USE_OPENGL
OPENGL_USES= gl
@@ -58,7 +58,7 @@ QT5_IMPLIES= OPENGL
SPGLIB_DESC= Enable optional features using spglib
SPGLIB_CMAKE_BOOL= USE_SPGLIB
-SPGLIB_CMAKE_ON= -DSPGLIB_INCLUDE_DIR=${LOCALBASE}/include/spglib
+SPGLIB_CMAKE_ON= -DSPGLIB_INCLUDE_DIR=${LOCALBASE}/include
SPGLIB_LIB_DEPENDS= libsymspg.so:science/spglib
SPGLIB_IMPLIES= QT5 # USE_SPGLIB only installs header file without USE_QT, and also installs SpaceGroup.a with USE_QT, see https://github.com/OpenChemistry/avogadrolibs/issues/610
diff --git a/science/avogadrolibs/distinfo b/science/avogadrolibs/distinfo
index 01ea7c4d5ffa..38b5fd554641 100644
--- a/science/avogadrolibs/distinfo
+++ b/science/avogadrolibs/distinfo
@@ -1,7 +1,9 @@
-TIMESTAMP = 1665902523
-SHA256 (OpenChemistry-avogadrolibs-1.97.0_GH0.tar.gz) = 46641504a1808c5ff6fb7d66be48d866848203899025fd386cc6e3dd5d9ec342
-SIZE (OpenChemistry-avogadrolibs-1.97.0_GH0.tar.gz) = 11456702
+TIMESTAMP = 1707763072
+SHA256 (OpenChemistry-avogadrolibs-1.99.0_GH0.tar.gz) = 34808e3c602b0f60f3c160ff0220832aee777db86e962e3f958c6327fb434063
+SIZE (OpenChemistry-avogadrolibs-1.99.0_GH0.tar.gz) = 4858298
SHA256 (OpenChemistry-molecules-b1e16c5_GH0.tar.gz) = 9aa48dd94022e022d2c9eb9802ba72a4bfd69c04a08a36d562bfffc7d24bf99b
SIZE (OpenChemistry-molecules-b1e16c5_GH0.tar.gz) = 207309
SHA256 (OpenChemistry-crystals-73a5bbc_GH0.tar.gz) = f48a06bb9e4bdc1f7dbed22fe31b187b5aa490f5796f6927001228e9ced41a5e
SIZE (OpenChemistry-crystals-73a5bbc_GH0.tar.gz) = 157627
+SHA256 (OpenChemistry-fragments-8dc711a_GH0.tar.gz) = 9d8060a66716f9c78d0ed2bb3b9a2a4f57700ce880ce548dc062698505b7eae7
+SIZE (OpenChemistry-fragments-8dc711a_GH0.tar.gz) = 2553176
diff --git a/science/avogadrolibs/files/patch-CMakeLists.txt b/science/avogadrolibs/files/patch-CMakeLists.txt
index 20c0a425beb4..e8b431699707 100644
--- a/science/avogadrolibs/files/patch-CMakeLists.txt
+++ b/science/avogadrolibs/files/patch-CMakeLists.txt
@@ -1,8 +1,8 @@
- git is only needed when 'molecules' and 'crystals' aren't supplied by the caller
---- CMakeLists.txt.orig 2021-06-04 09:02:43 UTC
+--- CMakeLists.txt.orig 2024-02-10 14:49:49 UTC
+++ CMakeLists.txt
-@@ -31,8 +31,8 @@ set(AvogadroLibs_VERSION_MINOR "94")
+@@ -26,8 +26,8 @@ set(AvogadroLibs_VERSION
set(AvogadroLibs_VERSION_PATCH "0")
set(AvogadroLibs_VERSION
"${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}")
diff --git a/science/avogadrolibs/files/patch-avogadro_qtplugins_templatetool_CMakeLists.txt b/science/avogadrolibs/files/patch-avogadro_qtplugins_templatetool_CMakeLists.txt
new file mode 100644
index 000000000000..943fea639111
--- /dev/null
+++ b/science/avogadrolibs/files/patch-avogadro_qtplugins_templatetool_CMakeLists.txt
@@ -0,0 +1,13 @@
+- backport a fix
+
+--- avogadro/qtplugins/templatetool/CMakeLists.txt.orig 2024-02-12 18:50:42 UTC
++++ avogadro/qtplugins/templatetool/CMakeLists.txt
+@@ -24,7 +24,7 @@ avogadro_plugin(TemplateTool
+ )
+
+ # Install the fragments
+-set(_molecules "${AvogadroLibs_SOURCE_DIR}/../fragments")
++set(_fragments "${AvogadroLibs_SOURCE_DIR}/../fragments")
+
+ # Look in parallel directory for the molecule fragment repository
+ if(NOT EXISTS "${_fragments}")
diff --git a/science/avogadrolibs/files/patch-avogadro_rendering_ambientocclusionspheregeometry.cpp b/science/avogadrolibs/files/patch-avogadro_rendering_ambientocclusionspheregeometry.cpp
deleted file mode 100644
index ccdeabbfa119..000000000000
--- a/science/avogadrolibs/files/patch-avogadro_rendering_ambientocclusionspheregeometry.cpp
+++ /dev/null
@@ -1,29 +0,0 @@
---- avogadro/rendering/ambientocclusionspheregeometry.cpp.orig 2018-10-16 22:25:02 UTC
-+++ avogadro/rendering/ambientocclusionspheregeometry.cpp
-@@ -930,7 +930,7 @@ public:
- // draw
- glDrawRangeElements(GL_TRIANGLES, 0, static_cast<GLuint>(m_numVertices),
- static_cast<GLsizei>(m_numIndices), GL_UNSIGNED_INT,
-- reinterpret_cast<const GLvoid*>(NULL));
-+ (const GLvoid*)nullptr);
-
- m_vbo.release();
- m_ibo.release();
-@@ -1004,7 +1004,7 @@ public:
- // draw
- glDrawRangeElements(GL_TRIANGLES, 0, static_cast<GLuint>(m_numVertices),
- static_cast<GLsizei>(m_numIndices), GL_UNSIGNED_INT,
-- reinterpret_cast<const GLvoid*>(NULL));
-+ (const GLvoid*)nullptr);
-
- m_vbo.release();
- m_ibo.release();
-@@ -1326,7 +1326,7 @@ void AmbientOcclusionSphereGeometry::ren
- // Render the loaded spheres using the shader and bound VBO.
- glDrawRangeElements(GL_TRIANGLES, 0, static_cast<GLuint>(d->numberOfVertices),
- static_cast<GLsizei>(d->numberOfIndices), GL_UNSIGNED_INT,
-- reinterpret_cast<const GLvoid*>(NULL));
-+ (const GLvoid*)nullptr);
-
- d->vbo.release();
- d->ibo.release();
diff --git a/science/avogadrolibs/files/patch-avogadro_rendering_spheregeometry.cpp b/science/avogadrolibs/files/patch-avogadro_rendering_spheregeometry.cpp
deleted file mode 100644
index 06d5dc18b114..000000000000
--- a/science/avogadrolibs/files/patch-avogadro_rendering_spheregeometry.cpp
+++ /dev/null
@@ -1,11 +0,0 @@
---- avogadro/rendering/spheregeometry.cpp.orig 2018-10-16 22:26:03 UTC
-+++ avogadro/rendering/spheregeometry.cpp
-@@ -196,7 +196,7 @@ void SphereGeometry::render(const Camera
- // Render the loaded spheres using the shader and bound VBO.
- glDrawRangeElements(GL_TRIANGLES, 0, static_cast<GLuint>(d->numberOfVertices),
- static_cast<GLsizei>(d->numberOfIndices), GL_UNSIGNED_INT,
-- reinterpret_cast<const GLvoid*>(NULL));
-+ (const GLvoid*)nullptr);
-
- d->vbo.release();
- d->ibo.release();
diff --git a/science/avogadrolibs/pkg-plist b/science/avogadrolibs/pkg-plist
index f10e1f0d253d..fc97092daff8 100644
--- a/science/avogadrolibs/pkg-plist
+++ b/science/avogadrolibs/pkg-plist
@@ -3,6 +3,9 @@ include/avogadro/calc/avogadrocalcexport.h
include/avogadro/calc/chargemanager.h
include/avogadro/calc/chargemodel.h
include/avogadro/calc/defaultmodel.h
+include/avogadro/calc/energycalculator.h
+include/avogadro/calc/energymanager.h
+include/avogadro/calc/lennardjones.h
include/avogadro/core/angleiterator.h
include/avogadro/core/angletools.h
include/avogadro/core/array.h
@@ -52,6 +55,7 @@ include/avogadro/core/version.h
include/avogadro/io/avogadroioexport.h
include/avogadro/io/cjsonformat.h
include/avogadro/io/cmlformat.h
+include/avogadro/io/cmsgpackformat.h
include/avogadro/io/dcdformat.h
include/avogadro/io/fileformat.h
include/avogadro/io/fileformatmanager.h
@@ -85,6 +89,7 @@ include/avogadro/io/xyzformat.h
%%QT5%%include/avogadro/qtgui/fileformatdialog.h
%%QT5%%include/avogadro/qtgui/generichighlighter.h
%%QT5%%include/avogadro/qtgui/hydrogentools.h
+%%QT5%%include/avogadro/qtgui/insertfragmentdialog.h
%%QT5%%include/avogadro/qtgui/interfacescript.h
%%QT5%%include/avogadro/qtgui/interfacewidget.h
%%QT5%%include/avogadro/qtgui/jsonwidget.h
@@ -103,6 +108,7 @@ include/avogadro/io/xyzformat.h
%%QT5%%include/avogadro/qtgui/sceneplugin.h
%%QT5%%include/avogadro/qtgui/scenepluginmodel.h
%%QT5%%include/avogadro/qtgui/scriptloader.h
+%%QT5%%include/avogadro/qtgui/sortfiltertreeproxymodel.h
%%QT5%%include/avogadro/qtgui/toolplugin.h
%%QT5%%include/avogadro/qtgui/utilities.h
%%QT5%%include/avogadro/qtgui/viewfactory.h
@@ -118,10 +124,14 @@ include/avogadro/quantumio/avogadroquantumioexport.h
include/avogadro/quantumio/gamessus.h
include/avogadro/quantumio/gaussiancube.h
include/avogadro/quantumio/gaussianfchk.h
+include/avogadro/quantumio/genericoutput.h
include/avogadro/quantumio/molden.h
include/avogadro/quantumio/mopacaux.h
include/avogadro/quantumio/nwchemjson.h
-include/avogadro/quantumio/nwchemlog.h
+%%OPENGL%%include/avogadro/quantumio/nwchemlog.h
+%%OPENGL%%include/avogadro/quantumio/orca.h
+%%OPENGL%%include/avogadro/rendering/arcsector.h
+%%OPENGL%%include/avogadro/rendering/arcstrip.h
%%OPENGL%%include/avogadro/rendering/arrowgeometry.h
%%OPENGL%%include/avogadro/rendering/avogadrogl.h
%%OPENGL%%include/avogadro/rendering/avogadrorendering.h
@@ -143,11 +153,15 @@ include/avogadro/quantumio/nwchemlog.h
%%OPENGL%%include/avogadro/rendering/linestripgeometry.h
%%OPENGL%%include/avogadro/rendering/meshgeometry.h
%%OPENGL%%include/avogadro/rendering/node.h
+%%OPENGL%%include/avogadro/rendering/plyvisitor.h
%%OPENGL%%include/avogadro/rendering/povrayvisitor.h
%%OPENGL%%include/avogadro/rendering/primitive.h
+%%OPENGL%%include/avogadro/rendering/quad.h
+%%OPENGL%%include/avogadro/rendering/quadoutline.h
%%OPENGL%%include/avogadro/rendering/scene.h
%%OPENGL%%include/avogadro/rendering/shader.h
%%OPENGL%%include/avogadro/rendering/shaderprogram.h
+%%OPENGL%%include/avogadro/rendering/solidpipeline.h
%%OPENGL%%include/avogadro/rendering/spheregeometry.h
%%OPENGL%%include/avogadro/rendering/textlabel2d.h
%%OPENGL%%include/avogadro/rendering/textlabel3d.h
@@ -166,14 +180,24 @@ include/avogadro/quantumio/nwchemlog.h
%%QT5%%lib/avogadro2/libgwavi.a
%%QT5%%lib/avogadro2/scripts/charges/antechamber.py
%%QT5%%lib/avogadro2/scripts/charges/xtb.py
+%%QT5%%lib/avogadro2/scripts/energy/ani2x.py
+%%QT5%%lib/avogadro2/scripts/energy/gaff.py
+%%QT5%%lib/avogadro2/scripts/energy/gfn1.py
+%%QT5%%lib/avogadro2/scripts/energy/gfn2.py
+%%QT5%%lib/avogadro2/scripts/energy/gfnff.py
+%%QT5%%lib/avogadro2/scripts/energy/mmff94.py
+%%QT5%%lib/avogadro2/scripts/energy/uff.py
%%QT5%%lib/avogadro2/scripts/formatScripts/zyx.py
+%%QT5%%lib/avogadro2/staticplugins/AlignTool.a
%%QT5%%lib/avogadro2/staticplugins/ApplyColors.a
%%QT5%%lib/avogadro2/staticplugins/BallStick.a
%%QT5%%lib/avogadro2/staticplugins/BondCentric.a
%%QT5%%lib/avogadro2/staticplugins/Bonding.a
%%QT5%%lib/avogadro2/staticplugins/Cartoons.a
+%%QT5%%lib/avogadro2/staticplugins/Centroid.a
%%QT5%%lib/avogadro2/staticplugins/CloseContacts.a
%%VTK%%lib/avogadro2/staticplugins/ColorOpacityMap.a
+%%QT5%%lib/avogadro2/staticplugins/ConfigurePython.a
%%QT5%%lib/avogadro2/staticplugins/CoordinateEditor.a
%%QT5%%lib/avogadro2/staticplugins/CopyPaste.a
%%QT5%%lib/avogadro2/staticplugins/Cp2kInput.a
@@ -184,6 +208,7 @@ include/avogadro/quantumio/nwchemlog.h
%%QT5%%lib/avogadro2/staticplugins/FetchPDB.a
%%QT5%%lib/avogadro2/staticplugins/Focus.a
%%QT5%%lib/avogadro2/staticplugins/Force.a
+%%QT5%%lib/avogadro2/staticplugins/Forcefield.a
%%QT5%%lib/avogadro2/staticplugins/GamessInput.a
%%QT5%%lib/avogadro2/staticplugins/Hydrogens.a
%%QT5%%lib/avogadro2/staticplugins/ImportPQR.a
@@ -197,7 +222,6 @@ include/avogadro/quantumio/nwchemlog.h
%%QT5%%lib/avogadro2/staticplugins/MeasureTool.a
%%QT5%%lib/avogadro2/staticplugins/Meshes.a
%%QT5%%lib/avogadro2/staticplugins/MolecularProperties.a
-%%QT5%%lib/avogadro2/staticplugins/MongoChem.a
%%QT5%%lib/avogadro2/staticplugins/Navigator.a
%%QT5%%lib/avogadro2/staticplugins/NetworkDatabases.a
%%QT5%%lib/avogadro2/staticplugins/NonCovalent.a
@@ -205,6 +229,7 @@ include/avogadro/quantumio/nwchemlog.h
%%QT5%%lib/avogadro2/staticplugins/OpenBabel.a
%%QT5%%lib/avogadro2/staticplugins/OpenMMInput.a
%%QT5%%lib/avogadro2/staticplugins/OverlayAxes.a
+%%QT5%%lib/avogadro2/staticplugins/PLY.a
%%QT5%%lib/avogadro2/staticplugins/POVRay.a
%%QT5%%lib/avogadro2/staticplugins/PlayerTool.a
%%VTK%%lib/avogadro2/staticplugins/PlotPdf.a
@@ -220,14 +245,14 @@ include/avogadro/quantumio/nwchemlog.h
%%QT5%%lib/avogadro2/staticplugins/Select.a
%%QT5%%lib/avogadro2/staticplugins/Selection.a
%%SPGLIB%%lib/avogadro2/staticplugins/SpaceGroup.a
-%%QT5%%lib/avogadro2/staticplugins/Spectra.a
%%QT5%%lib/avogadro2/staticplugins/Surfaces.a
%%LIBMSYM%%lib/avogadro2/staticplugins/Symmetry.a
%%LIBMSYM%%lib/avogadro2/staticplugins/SymmetryScene.a
+%%QT5%%lib/avogadro2/staticplugins/TemplateTool.a
%%QT5%%lib/avogadro2/staticplugins/ThreeDMol.a
%%QT5%%lib/avogadro2/staticplugins/VRML.a
%%QT5%%lib/avogadro2/staticplugins/VanDerWaals.a
-%%QT5%%lib/avogadro2/staticplugins/VanDerWaalsAO.a
+%%QT5%%lib/avogadro2/staticplugins/Vibrations.a
%%QT5%%lib/avogadro2/staticplugins/Wireframe.a
%%QT5%%lib/avogadro2/staticplugins/apbs.a
%%QT5%%lib/avogadro2/staticplugins/commands.a
@@ -236,39 +261,37 @@ lib/cmake/avogadrolibs/AvogadroLibsConfigVersion.cmake
lib/cmake/avogadrolibs/AvogadroLibsTargets-%%CMAKE_BUILD_TYPE%%.cmake
lib/cmake/avogadrolibs/AvogadroLibsTargets.cmake
lib/cmake/avogadrolibs/FindEigen3.cmake
-lib/cmake/avogadrolibs/FindGLEW.cmake
-lib/cmake/avogadrolibs/FindLibArchive.cmake
lib/cmake/avogadrolibs/Findlibmsym.cmake
lib/libAvogadroCalc.so
lib/libAvogadroCalc.so.1
-lib/libAvogadroCalc.so.1.97.0
+lib/libAvogadroCalc.so.1.99.0
lib/libAvogadroCore.so
lib/libAvogadroCore.so.1
-lib/libAvogadroCore.so.1.97.0
+lib/libAvogadroCore.so.1.99.0
lib/libAvogadroIO.so
lib/libAvogadroIO.so.1
-lib/libAvogadroIO.so.1.97.0
+lib/libAvogadroIO.so.1.99.0
%%QT5%%lib/libAvogadroMoleQueue.so
%%QT5%%lib/libAvogadroMoleQueue.so.1
-%%QT5%%lib/libAvogadroMoleQueue.so.1.97.0
+%%QT5%%lib/libAvogadroMoleQueue.so.1.99.0
%%QT5%%lib/libAvogadroQtGui.so
%%QT5%%lib/libAvogadroQtGui.so.1
-%%QT5%%lib/libAvogadroQtGui.so.1.97.0
+%%QT5%%lib/libAvogadroQtGui.so.1.99.0
%%QT5%%lib/libAvogadroQtOpenGL.so
%%QT5%%lib/libAvogadroQtOpenGL.so.1
-%%QT5%%lib/libAvogadroQtOpenGL.so.1.97.0
+%%QT5%%lib/libAvogadroQtOpenGL.so.1.99.0
%%QT5%%lib/libAvogadroQtPlugins.so
%%QT5%%lib/libAvogadroQtPlugins.so.1
-%%QT5%%lib/libAvogadroQtPlugins.so.1.97.0
+%%QT5%%lib/libAvogadroQtPlugins.so.1.99.0
lib/libAvogadroQuantumIO.so
lib/libAvogadroQuantumIO.so.1
-lib/libAvogadroQuantumIO.so.1.97.0
+lib/libAvogadroQuantumIO.so.1.99.0
%%OPENGL%%lib/libAvogadroRendering.so
%%OPENGL%%lib/libAvogadroRendering.so.1
-%%OPENGL%%lib/libAvogadroRendering.so.1.97.0
+%%OPENGL%%lib/libAvogadroRendering.so.1.99.0
%%VTK%%lib/libAvogadroVtk.so
%%VTK%%lib/libAvogadroVtk.so.1
-%%VTK%%lib/libAvogadroVtk.so.1.97.0
+%%VTK%%lib/libAvogadroVtk.so.1.99.0
%%QT5%%share/avogadro2/crystals/README.md
%%QT5%%share/avogadro2/crystals/antimonides/AlSb.cif
%%QT5%%share/avogadro2/crystals/antimonides/GaSb.cif
@@ -788,6 +811,804 @@ lib/libAvogadroQuantumIO.so.1.97.0
%%QT5%%share/avogadro2/crystals/zeolites/YUG.cif
%%QT5%%share/avogadro2/crystals/zeolites/ZON.cif
%%QT5%%share/avogadro2/crystals/zeolites/ZSM-5.cif
+%%QT5%%share/avogadro2/fragments/.gitignore
+%%QT5%%share/avogadro2/fragments/LICENSE
+%%QT5%%share/avogadro2/fragments/README.md
+%%QT5%%share/avogadro2/fragments/amino/ACE.zmat
+%%QT5%%share/avogadro2/fragments/amino/AIB.zmat
+%%QT5%%share/avogadro2/fragments/amino/ALA.zmat
+%%QT5%%share/avogadro2/fragments/amino/ARG.zmat
+%%QT5%%share/avogadro2/fragments/amino/ASN.zmat
+%%QT5%%share/avogadro2/fragments/amino/ASP.zmat
+%%QT5%%share/avogadro2/fragments/amino/CYS.zmat
+%%QT5%%share/avogadro2/fragments/amino/GLN.zmat
+%%QT5%%share/avogadro2/fragments/amino/GLU.zmat
+%%QT5%%share/avogadro2/fragments/amino/GLY.zmat
+%%QT5%%share/avogadro2/fragments/amino/HIS.zmat
+%%QT5%%share/avogadro2/fragments/amino/ILE.zmat
+%%QT5%%share/avogadro2/fragments/amino/LEU.zmat
+%%QT5%%share/avogadro2/fragments/amino/LYS.zmat
+%%QT5%%share/avogadro2/fragments/amino/MET.zmat
+%%QT5%%share/avogadro2/fragments/amino/NME.zmat
+%%QT5%%share/avogadro2/fragments/amino/PHE.zmat
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