update to 1.2.0 [release 1.2.0-1mamba;Sat May 16 2020]
This commit is contained in:
parent
641cb815a5
commit
db199decdc
20
avogadro-1.2.0-eigen2.patch
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20
avogadro-1.2.0-eigen2.patch
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@ -0,0 +1,20 @@
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diff --git a/CMakeLists.txt b/CMakeLists.txt
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index 1cbeb8f..e1e40d6 100644
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--- a/CMakeLists.txt
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+++ b/CMakeLists.txt
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@@ -231,14 +231,7 @@ if(NOT Linguist_FOUND)
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message(WARNING " Qt4 Linguist not found, please install it if you want Avogadro translations")
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endif()
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-find_package(Eigen3) # find and setup Eigen3 if available
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-if(NOT EIGEN3_FOUND)
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- message(STATUS "Cannot find Eigen3, trying Eigen2")
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- find_package(Eigen2 REQUIRED) # Some version is required
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-else()
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-# Use Stage10 Eigen3 support
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- set (EIGEN2_SUPPORT_STAGE10_FULL_EIGEN2_API TRUE)
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-endif()
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+find_package(Eigen2 REQUIRED)
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find_package(ZLIB REQUIRED)
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find_package(OpenBabel2 REQUIRED) # find and setup OpenBabel
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18
avogadro-1.2.0-glibc-2.23.patch
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18
avogadro-1.2.0-glibc-2.23.patch
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@ -0,0 +1,18 @@
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--- avogadro-1.2.0/libavogadro/src/extensions/symmetry/libmsym/src/orbital.c.orig 2016-06-16 06:36:58.888214167 +0000
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+++ avogadro-1.2.0/libavogadro/src/extensions/symmetry/libmsym/src/orbital.c 2016-06-16 06:37:19.091459100 +0000
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@@ -67,13 +67,13 @@
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}
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case 2 : {
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//o->v = dpolynomial[m+l];
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- char *d = (signbit(m) == 1 ? "-" : "+");
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+ char *d = (signbit(m*1.0) == 1 ? "-" : "+");
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snprintf(o->name, sizeof(o->name), "%dd%d%s",n,abs(m),d);
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break;
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}
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default : {
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char t = 'f' - 3 + l;
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- char *d = (signbit(m) == 1 ? "-" : "+");
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+ char *d = (signbit(m*1.0) == 1 ? "-" : "+");
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snprintf(o->name, sizeof(o->name), "%d%c%d%s",n,t,abs(m),d);
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}
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}
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10
avogadro-1.2.0-libmsym-add-link-library.patch
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10
avogadro-1.2.0-libmsym-add-link-library.patch
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@ -0,0 +1,10 @@
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--- avogadro-1.2.0/libavogadro/src/extensions/symmetry/libmsym/CMakeLists.txt.orig 2020-05-16 15:58:24.829000000 +0200
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+++ avogadro-1.2.0/libavogadro/src/extensions/symmetry/libmsym/CMakeLists.txt 2020-05-16 15:59:08.768000000 +0200
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@@ -28,6 +28,7 @@
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file (GLOB source src/*.c)
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add_library (msym ${source})
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+target_link_libraries(msym m)
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if (BUILD_SHARED_LIBS)
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set_target_properties (msym PROPERTIES
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POSITION_INDEPENDENT_CODE "TRUE")
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22
avogadro-1.2.0-libopenbabel2-2.4.1.patch
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22
avogadro-1.2.0-libopenbabel2-2.4.1.patch
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@ -0,0 +1,22 @@
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--- avogadro-1.2.0/cmake/modules/FindOpenBabel2.cmake.orig 2020-05-16 14:57:50.268000000 +0200
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+++ avogadro-1.2.0/cmake/modules/FindOpenBabel2.cmake 2020-05-16 14:57:56.301000000 +0200
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@@ -48,7 +48,7 @@
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endif(NOT OPENBABEL2_INCLUDE_DIR)
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endif()
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- find_library(OPENBABEL2_LIBRARIES NAMES openbabel openbabel-2
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+ find_library(OPENBABEL2_LIBRARIES NAMES openbabel-2
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PATHS
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${_obLinkDir}
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${GNUWIN32_DIR}/lib
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--- avogadro-1.2.0/avogadro.prf.in.orig 2020-05-16 15:16:17.226000000 +0200
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+++ avogadro-1.2.0/avogadro.prf.in 2020-05-16 15:16:23.884000000 +0200
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@@ -5,7 +5,7 @@
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"@OPENBABEL2_INCLUDE_DIR@ \
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"@EIGEN2_INCLUDE_DIR@"
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LIBS += -L"$$AVOGADRO_PREFIX/lib" -lavogadro \
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- -L"$$OPENBABEL_PREFIX/lib" -lopenbabel
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+ -L"$$OPENBABEL_PREFIX/lib" -lopenbabel-2
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unix {
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manifest_.target = $$eval(TARGET).mf
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14
avogadro-1.2.0-libopenbabel2.patch
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14
avogadro-1.2.0-libopenbabel2.patch
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@ -0,0 +1,14 @@
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diff -up avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt.openbabel avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt
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--- avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt.openbabel 2013-12-06 09:50:04.000000000 -0600
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+++ avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt 2016-01-25 13:50:10.469758655 -0600
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@@ -20,8 +20,8 @@ if (WIN32)
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set_target_properties(python-module PROPERTIES SUFFIX ".pyd")
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target_link_libraries(python-module avogadro ${PYTHON_LIBRARIES})
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else()
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- target_link_libraries(python-module stdc++ avogadro
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- ${QT_LIBRARIES} ${PYTHON_LIBRARIES} ${Boost_LIBRARIES})
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+ target_link_libraries(python-module stdc++ avogadro
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+ ${QT_LIBRARIES} ${PYTHON_LIBRARIES} ${OPENBABEL2_LIBRARIES} ${Boost_LIBRARIES})
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endif()
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# Let's try to use this instead:
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106
avogadro.spec
106
avogadro.spec
@ -1,14 +1,20 @@
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Name: avogadro
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Name: avogadro
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Version: 1.1.1
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Version: 1.2.0
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Release: 1mamba
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Release: 1mamba
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Summary: An advanced molecule editor and visualizer
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Summary: An advanced molecule editor and visualizer
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Group: Graphical Desktop/Applications/Scientific
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Group: Graphical Desktop/Applications/Scientific
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Vendor: openmamba
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Vendor: openmamba
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Distribution: openmamba
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Distribution: openmamba
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Packager: Davide Madrisan <davide.madrisan@gmail.com>
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Packager: Davide Madrisan <davide.madrisan@gmail.com>
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URL: http://avogadro.openmolecules.net
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URL: http://avogadro.cc
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Source: http://downloads.sourceforge.net/project/%{name}/%{name}/%{version}/%{name}-%{version}.tar.gz
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Source: https://github.com/cryos/avogadro.git/%{version}/avogadro-%{version}.tar.bz2
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#Source: http://downloads.sourceforge.net/project/%{name}/%{name}/%{version}/%{name}-%{version}.tar.gz
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Patch0: avogadro-1.1.1-boost-1.5.5.patch
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Patch0: avogadro-1.1.1-boost-1.5.5.patch
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Patch1: avogadro-1.2.0-eigen2.patch
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Patch2: avogadro-1.2.0-glibc-2.23.patch
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Patch3: avogadro-1.2.0-libopenbabel2.patch
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Patch4: avogadro-1.2.0-libopenbabel2-2.4.1.patch
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Patch5: avogadro-1.2.0-libmsym-add-link-library.patch
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License: GPL
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License: GPL
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## AUTOBUILDREQ-BEGIN
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## AUTOBUILDREQ-BEGIN
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BuildRequires: glibc-devel
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BuildRequires: glibc-devel
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@ -25,9 +31,9 @@ BuildRequires: libpython27-devel
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BuildRequires: libqt4-devel
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BuildRequires: libqt4-devel
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BuildRequires: libstdc++6-devel
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BuildRequires: libstdc++6-devel
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BuildRequires: libz-devel
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BuildRequires: libz-devel
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BuildRequires: openbabel-devel
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BuildRequires: python-boost-devel
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BuildRequires: python-boost-devel
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## AUTOBUILDREQ-END
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## AUTOBUILDREQ-END
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BuildRequires: libopenbabel2-devel
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BuildRequires: python-sip-devel
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BuildRequires: python-sip-devel
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BuildRequires: libeigen2-devel
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BuildRequires: libeigen2-devel
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BuildRequires: eigen3-devel
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BuildRequires: eigen3-devel
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@ -39,37 +45,51 @@ BuildRoot: %{_tmppath}/%{name}-%{version}-root
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Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
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Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
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It offers flexible high quality rendering and a powerful plugin architecture.
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It offers flexible high quality rendering and a powerful plugin architecture.
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%package devel
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%package -n lib%{name}
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Summary: Development files for %{name}
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Group: Development/Libraries
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Requires: %{name} = %{?epoch:%epoch:}%{version}-%{release}
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%description devel
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%{summary}.
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%package -n libavogadro
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Summary: Runtime files for %{name}
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Summary: Runtime files for %{name}
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Group: System/Libraries
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Group: System/Libraries
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%description -n libavogadro
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%description -n lib%{name}
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%{summary}.
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%{summary}.
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%package -n lib%{name}-devel
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Summary: Development files for %{name}
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Group: Development/Libraries
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Requires: %{name} = %{?epoch:%epoch:}%{version}-%{release}
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Requires: lib%{name} = %{?epoch:%epoch:}%{version}-%{release}
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Provides: avogadro-devel
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Obsoletes: avogadro-devel
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%description -n lib%{name}-devel
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%{summary}.
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%debug_package
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%prep
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%prep
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%setup -q
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%setup -q
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%patch0 -p1
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%patch0 -p1
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%patch1 -p1
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%patch2 -p1
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%patch3 -p1
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%patch4 -p1
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%patch5 -p1
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## use working version included in cmake
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## use working version included in cmake
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#rm -f cmake/modules/FindPythonLibs.cmake
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#rm -f cmake/modules/FindPythonLibs.cmake
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%build
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%build
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%cmake -d build \
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%cmake -d build \
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-DENABLE_GLSL:BOOL=ON \
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-DENABLE_PYTHON:BOOL=ON \
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-DENABLE_PYTHON:BOOL=ON \
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-DEIGEN2_INCLUDE_DIR=%{_includedir}/eigen2 \
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-DEIGEN2_INCLUDE_DIR=%{_includedir}/eigen2 \
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-DEIGEN3_INCLUDE_DIR=%{_includedir}/eigen3
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-DEIGEN3_INCLUDE_DIR=%{_includedir}/eigen3 \
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-Dpkgcfg_lib_OPENBABEL2_openbabel=%{_libdir}/libopenbabel-2.so \
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-DSIP_INCLUDE_DIR=%{_includedir}/python%{python_version}
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# -DENABLE_GLSL:BOOL=ON \
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# -DPYTHON_LIBRARY:FILEPATH=%{_libdir}/libpython%{python_version}.so \
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# -DPYTHON_LIBRARY:FILEPATH=%{_libdir}/libpython%{python_version}.so \
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# -DPYTHON_INCLUDE_DIR:PATH=%{_includedir}/python%{python_version} \
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# -DPYTHON_INCLUDE_DIR:PATH=%{_includedir}/python%{python_version} \
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# -DSIP_INCLUDE_DIR=%{_includedir}/python%{python_version}
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%make
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%make
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@ -81,16 +101,22 @@ install -d %{buildroot}%{_qt4_prefix}/mkspecs/features
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mv %{buildroot}%{_prefix}/features/avogadro.prf \
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mv %{buildroot}%{_prefix}/features/avogadro.prf \
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%{buildroot}%{_qt4_prefix}/mkspecs/features/avogadro.prf
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%{buildroot}%{_qt4_prefix}/mkspecs/features/avogadro.prf
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%ifarch x86_64
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mv %{buildroot}%{_prefix}/lib/cmake %{buildroot}%{_libdir}
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mv %{buildroot}%{_prefix}/lib/libmsym.so %{buildroot}%{_libdir}
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%endif
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%clean
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%clean
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[ "%{buildroot}" != / ] && rm -rf "%{buildroot}"
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[ "%{buildroot}" != / ] && rm -rf "%{buildroot}"
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%post -n libavogadro -p /sbin/ldconfig
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%post -n lib%{name} -p /sbin/ldconfig
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%postun -n libavogadro -p /sbin/ldconfig
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%postun -n lib%{name} -p /sbin/ldconfig
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%files
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%files
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%defattr(-,root,root)
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%defattr(-,root,root)
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%{_bindir}/avogadro
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%{_bindir}/avogadro
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%{_bindir}/avopkg
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%{_bindir}/avopkg
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%{_bindir}/qube
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%{_datadir}/applications/avogadro.desktop
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%{_datadir}/applications/avogadro.desktop
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%dir %{_datadir}/avogadro/builder
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%dir %{_datadir}/avogadro/builder
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%{_datadir}/avogadro/builder/*
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%{_datadir}/avogadro/builder/*
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@ -103,8 +129,26 @@ mv %{buildroot}%{_prefix}/features/avogadro.prf \
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%{_mandir}/man1/avogadro.*
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%{_mandir}/man1/avogadro.*
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%{_mandir}/man1/avopkg.*
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%{_mandir}/man1/avopkg.*
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%files devel
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%files -n lib%{name}
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%defattr(-,root,root,-)
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%defattr(-,root,root,-)
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%{_datadir}/avogadro/i18n/libavogadro*.qm
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#%dir %{_datadir}/libavogadro
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#%{_datadir}/libavogadro/*
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%{_libdir}/libavogadro.so.*
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%{_libdir}/libavogadro_OpenQube.so.*
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%{_libdir}/libmsym.so
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%dir %{_libdir}/avogadro
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%{_libdir}/avogadro/*/colors/
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%{_libdir}/avogadro/*/extensions/
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%{_libdir}/avogadro/*/engines/
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%{_libdir}/avogadro/*/tools/
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#%{python_sitearch}/Avogadro.so
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%doc AUTHORS COPYING
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%files -n lib%{name}-devel
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%defattr(-,root,root,-)
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%dir %{_includedir}/libmsym
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%{_includedir}/libmsym/*.h
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%dir %{_includedir}/avogadro/
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%dir %{_includedir}/avogadro/
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%{_includedir}/avogadro/*
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%{_includedir}/avogadro/*
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%{_libdir}/libavogadro.so
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%{_libdir}/libavogadro.so
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@ -114,24 +158,14 @@ mv %{buildroot}%{_prefix}/features/avogadro.prf \
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%{_libdir}/avogadro/*/cmake/
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%{_libdir}/avogadro/*/cmake/
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%{_libdir}/pkgconfig/avogadro.pc
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%{_libdir}/pkgconfig/avogadro.pc
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%{_qt4_prefix}/mkspecs/features/avogadro.prf
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%{_qt4_prefix}/mkspecs/features/avogadro.prf
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%doc ChangeLog README
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%dir %{_libdir}/cmake/libmsym
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%{_libdir}/cmake/libmsym/*.cmake
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%files -n libavogadro
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%doc README
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%defattr(-,root,root,-)
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%{_datadir}/avogadro/i18n/libavogadro*.qm
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%dir %{_datadir}/libavogadro
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%{_datadir}/libavogadro/*
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%{_libdir}/libavogadro.so.*
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%{_libdir}/libavogadro_OpenQube.so.*
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%dir %{_libdir}/avogadro
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%{_libdir}/avogadro/*/colors/
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%{_libdir}/avogadro/*/extensions/
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%{_libdir}/avogadro/*/engines/
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%{_libdir}/avogadro/*/tools/
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%{python_sitearch}/Avogadro.so
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#%doc AUTHORS COPYING
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%changelog
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%changelog
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* Sat May 16 2020 Silvan Calarco <silvan.calarco@mambasoft.it> 1.2.0-1mamba
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- update to 1.2.0
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* Sat Jun 14 2014 Silvan Calarco <silvan.calarco@mambasoft.it> 1.1.1-1mamba
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* Sat Jun 14 2014 Silvan Calarco <silvan.calarco@mambasoft.it> 1.1.1-1mamba
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- update to 1.1.1
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- update to 1.1.1
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Reference in New Issue
Block a user