diff --git a/COPASI-fix_install_libpaths.patch b/COPASI-fix_install_libpaths.patch index 06e69f8..e33fda1 100644 --- a/COPASI-fix_install_libpaths.patch +++ b/COPASI-fix_install_libpaths.patch @@ -1,7 +1,16 @@ ##This patch sets libraries' installation paths according to the Fedora packaging guidelines --- CMakeLists.orig.txt 2015-06-03 14:40:54.000000000 +0200 +++ CMakeLists.txt 2015-06-11 12:29:51.346501583 +0200 -@@ -695,7 +695,7 @@ +@@ -689,13 +689,13 @@ + file(GLOB_RECURSE WIZARD_HELP_FILES "${PROJECT_SOURCE_DIR}/copasi/wizard/help_html" copasi/wizard/help_html/*.html) + file(GLOB_RECURSE WIZARD_IMAGE_FILES "${PROJECT_SOURCE_DIR}/copasi/wizard/help_html/figures" copasi/wizard/help_html/figures/*.png) + file(GLOB_RECURSE EXAMPLE_FILES "${PROJECT_SOURCE_DIR}/TestSuite/distribution" TestSuite/distribution/*.*) +-install(FILES ${WIZARD_HELP_FILES} DESTINATION share/copasi/doc/html) +-install(FILES ${WIZARD_IMAGE_FILES} DESTINATION share/copasi/doc/html/figures) +-install(FILES ${EXAMPLE_FILES} DESTINATION share/copasi/examples) ++install(FILES ${WIZARD_HELP_FILES} DESTINATION ${CMAKE_INSTALL_PREFIX}/share/copasi/doc/html) ++install(FILES ${WIZARD_IMAGE_FILES} DESTINATION ${CMAKE_INSTALL_PREFIX}/share/copasi/doc/html/figures) ++install(FILES ${EXAMPLE_FILES} DESTINATION ${CMAKE_INSTALL_PREFIX}/share/copasi/examples) install(FILES "${PROJECT_SOURCE_DIR}/copasi/UI/icons/Copasi.ico" "${PROJECT_SOURCE_DIR}/copasi/UI/icons/CopasiDoc.ico" diff --git a/COPASI.appdata.xml b/COPASI.appdata.xml new file mode 100644 index 0000000..c3c23da --- /dev/null +++ b/COPASI.appdata.xml @@ -0,0 +1,111 @@ + + + %{name}.desktop + CC0-1.0 + The COPASI graphical user interface + COPASI + Artistic-2.0 and GPL-3.0+ and BSD + + Science + + +

+ COPASI is a software application for simulation and analysis of biochemical + networks and their dynamics. +

+

+ COPASI is a stand-alone program that supports models in the SBML standard + and can simulate their behavior using ODEs or Gillespie's stochastic + simulation algorithm; arbitrary discrete events can be included in such + simulations. +

+

+ COPASI carries out several analyses of the network and its dynamics and + has extensive support for parameter estimation and optimization. + COPASI provides means to visualize data in customizable plots, histograms and + animations of network diagrams. +

+

+ MODELS + + Models in COPASI are based on reactions that convert a set of species into another set of species. Each species is located in a compartment, + which is a physical location with a size (volume, area, etc). This maps directly to biochemical reaction networks, + but can also represent other types of processes (for example, the species could be cell types). + COPASI automatically converts the reaction network to a set of differential equations or to a system of stochastic reaction events + — the user does not have to write down the math explicitly, the software does that. + + Models can also have: + * Unlimited number of species, reactions, and compartments. + * Arbitrary discrete events; these can be used to change the model, or just to monitor the progress of simulations. + * Arbitrary differential equations; these have to be added explicitly by the user and can be mapped to species, compartments, or generic variables. + * Compartments can have variable sizes (ie they can be variables of the model). + * The rates of reaction can be picked from a set of predefined kinetic functions (the most common in biochemistry), or arbitrary functions defined by the user. + + Models can be visualized through + * the GUI interface, with tables for reactions, species, compartments, etc.; + * an arbitrary number of network diagrams (including an SBGN-compliant option); + * the full set of differential equations; these can be exported in Latex or MathML formats. + + COPASI can import and export models in the SBML format (levels 1 to 3). Models can also be exported in XPP format, + Berkeley Madonna format, and as C code (in addition to MathML and Latex). + + SIMULATION + + Simulation can be performed either with stochastic kinetics or with differential equations, and the software easily allows + switching between them. The software provides an interface to create parameter scans (sweeps), + parameter sampling and repeated simulations — including complex simulation scenarios mixing parameter samples + with scans and repeats of simulations (or other analyses). + + Algorithms available for simulation: + + * LSODAR for ordinary differential equation modeling. + * Gillespie's direct method for exact stochastic kinetics. + * Gibson-Brooke's version of Gillespie's algorithm for exact stochastic kinetics. + * τ-leap algorithm for faster (approximate) stochastic kinetics. + * Adaptive SSA/τ-leap algorithm for faster (approximate) stochastic kinetics. + * Hybrid Runge-Kutta/SSA for hybrid simulations with stochastic kinetics and differential equations. + * Hybrid LSODA/SSA for hybrid simulations with stochastic kinetics and differential equations. + + Simulations can be of time courses or steady states. + + ANALISYS + + Models can be analyzed and modified with a large set of methods: + * Stoichiometric analysis of the reaction network, including mass conservation analysis and elementary flux modes. + * Optimization of arbitrary components of the model using a range of diverse algorithms. + * Parameter estimation using a range of diverse optimization algorithms. This can be done over several different experiments simultaneously, + including mixtures of steady-state and time course experiments. + * Local sensitivity analysis. + * Metabolic control analysis (a special form of sensitivity analysis). + * Time scale separation analysis; this allows definition of fast and slow components of the model, in a time-dependent way. + * Analysis of stochasticity using the linear noise approximation (allows estimating variances and co-variances even in the presence + of large numbers of particles). + * Cross sections, which allow to characterize non-linear dynamics properties, such as oscillations and chaos. + * Lyapunov exponents, which allows to establish if the system dynamics are chaotic. + + + DATA VISUALIZATION + + COPASI allows users to visualize data in various ways: + * Network diagrams can be used to visualize time course simulations as movies; + * Network diagrams can also be used to visualize mass conservation moieties, and elementary flux modes; + * Arbitrary 2D plots of any model variables and parameters (including trajectories in phase space); + * A series of plots that are most commonly used are already pre-defined; + * Color-coded matrices, for easily identifying large and small values; + * 3D bar chart representation of matrices + + + DATA OUTPUT + + COPASI allows users to define report files where data is written to during simulations and analyses. + These report files are useful for importing data onto other applications for further analysis and visualization. +

+
+ http://copasi.org/ + + + https://sagitter.fedorapeople.org/copasi.png + + + sagitter_at_fedoraproject.org +
diff --git a/COPASI.spec b/COPASI.spec index 1de53f3..cf5b58e 100644 --- a/COPASI.spec +++ b/COPASI.spec @@ -42,7 +42,7 @@ Name: COPASI Summary: Biochemical network simulator Version: 4.19.%{buildid} -Release: 1%{?dist} +Release: 2%{?dist} ##Artistic 2.0 is main license ##GPLv2+ is related to a Mixed Source Licensing Scenario @@ -55,6 +55,7 @@ Release: 1%{?dist} License: Artistic 2.0 and GPLv3+ and BSD URL: http://copasi.org/ Source0: https://github.com/copasi/COPASI/archive/Build-%{buildid}.tar.gz#/%{name}-Build-%{buildid}.tar.gz +Source1: %{name}.appdata.xml %if 0%{?with_qwt6} BuildRequires: qwt-devel @@ -124,6 +125,7 @@ animations of network diagrams. %package gui Summary: The COPASI graphical user interface Requires: %{name}-data = %{version}-%{release} +Requires: %{name}-doc = %{version}-%{release} %description gui COPASI is a software application for simulation and analysis of biochemical @@ -274,6 +276,7 @@ sed -e 's|@@qtplot3d_libdir@@|%{_libdir}|g' -i CMakeModules/FindQwtplot3dQt4.cma mkdir -p build && pushd build export CXXFLAGS="-DF2C_INTEGER=int -DF2C_LOGICAL=long %{optflags} -Wl,-z,relro -fPIC -pie -Wl,-z,now -DCOPASI_OVERWRITE_USE_LAPACK -DNO_BLAS_WRAP" %cmake -Wno-dev \ + -DCOPASI_OVERRIDE_VERSION:STRING=%{version} \ %if 0%{?with_python2} -DENABLE_PYTHON:BOOL=ON \ -DPYTHON_EXECUTABLE:FILEPATH=%{__python2} \ @@ -336,6 +339,7 @@ popd mkdir -p build2 && pushd build2 export CXXFLAGS="-DF2C_INTEGER=int -DF2C_LOGICAL=long %{optflags} -Wl,-z,relro -fPIC -pie -Wl,-z,now -DCOPASI_OVERWRITE_USE_LAPACK -DNO_BLAS_WRAP" %cmake -Wno-dev \ + -DCOPASI_OVERRIDE_VERSION:STRING=%{version} \ -DENABLE_PYTHON:BOOL=ON \ -DPYTHON_EXECUTABLE:FILEPATH=%{__python3} \ -DPYTHON_INCLUDE_DIR:PATH=%{_includedir}/python%{python3_version}m \ @@ -397,9 +401,30 @@ mkdir -p $RPM_BUILD_ROOT%{_libdir}/R/library test -d %{octpkg}/src && (cd %{octpkg}/src; rm -f *.o *.so) rm -rf $RPM_BUILD_ROOT%{_libdir}/R/library/%{octpkg}/R.css chmod a+x $RPM_BUILD_ROOT%{_libdir}/R/library/%{octpkg}/libs/COPASI.so + +## Stripping from debugging symbols +%{_bindir}/strip -s $RPM_BUILD_ROOT%{_libdir}/R/library/%{octpkg}/libs/COPASI.so %endif ## +## Stripping from debugging symbols +%{_bindir}/strip -s $RPM_BUILD_ROOT%{_bindir}/* +%if 0%{?with_mono} +%{_bindir}/strip -s $RPM_BUILD_ROOT%{_prefix}/lib/mono/copasicsP/*.so +%endif +%if 0%{?with_python2} +%{_bindir}/strip -s $RPM_BUILD_ROOT%{python2_sitearch}/copasi/*.so +%endif +%if 0%{?with_python3} +%{_bindir}/strip -s $RPM_BUILD_ROOT%{python3_sitearch}/copasi/*.so +%endif +%if 0%{?with_perl} +%{_bindir}/strip -s $RPM_BUILD_ROOT%{perl_vendorarch}/auto/COPASI/*.so +%endif +%if 0%{?with_java} +%{_bindir}/strip -s $RPM_BUILD_ROOT%{_libdir}/copasi/*.so +%endif + %if 0%{?with_octave} mkdir -p $RPM_BUILD_ROOT%{octpkgdir}/packinfo install -pm 644 copasi/ArtisticLicense.txt $RPM_BUILD_ROOT%{octpkgdir}/packinfo @@ -415,56 +440,16 @@ cat > $RPM_BUILD_ROOT%{_datadir}/applications/%{name}.desktop < $RPM_BUILD_ROOT%{_datadir}/appdata/%{name}.appdata.xml < - - %{name}.desktop - CC0-1.0 - The COPASI graphical user interface - COPASI - Artistic-2.0 and GPL-3.0+ and BSD - - Science - - -

- COPASI is a software application for simulation and analysis of biochemical - networks and their dynamics. -

-

- COPASI is a stand-alone program that supports models in the SBML standard - and can simulate their behavior using ODEs or Gillespie's stochastic - simulation algorithm; arbitrary discrete events can be included in such - simulations. -

-

- COPASI carries out several analyses of the network and its dynamics and - has extensive support for parameter estimation and optimization. - COPASI provides means to visualize data in customizable plots, histograms and - animations of network diagrams. -

-
- http://copasi.org/ - - - https://sagitter.fedorapeople.org/copasi.png - - - sagitter_at_fedoraproject.org -
-EOF +install -pm 644 %{SOURCE1} $RPM_BUILD_ROOT%{_datadir}/appdata/ %post -n %{name}-gui /bin/touch --no-create %{_datadir}/icons/copasi &>/dev/null || : @@ -549,6 +534,12 @@ appstream-util validate-relax --nonet $RPM_BUILD_ROOT%{_datadir}/appdata/*.appda %{_datadir}/copasi/doc/ %changelog +* Thu Apr 06 2017 Antonio Trande 4.19.147-2 +- Override version from headers +- Fix installation of examples and docs +- Fix copasidir option +- Strip executable binary/library files + * Sun Mar 26 2017 Antonio Trande 4.19.147-1 - Update to version 4.19 -build 147 - Fix Octave binding (upstream bug #2342)