File avogadroapp.spec of Package Avogadro2

Overview Repositories Revisions Requests Users Attributes Meta

File avogadroapp.spec of Package Avogadro2 (Revision c4d5eb3503cfc2582ebbdec78eb3f907)

Currently displaying revision c4d5eb3503cfc2582ebbdec78eb3f907 , Show latest

#
# spec file for package avogadroapp
#
# Copyright (c) 2020 SUSE LLC
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
# upon. The license for this file, and modifications and additions to the
# file, is the same license as for the pristine package itself (unless the
# license for the pristine package is not an Open Source License, in which
# case the license is the MIT License). An "Open Source License" is a
# license that conforms to the Open Source Definition (Version 1.9)
# published by the Open Source Initiative.

# Please submit bugfixes or comments via https://bugs.opensuse.org/
#

%define app_name avogadro2
# Dependencies not yet in Tumbleweed
%bcond_with libmsym
%bcond_with molequeue
Name:           avogadroapp
Version:        1.93.0
Release:        0
Summary:        Advanced molecular editor
License:        BSD-3-Clause
Group:          Productivity/Scientific/Chemistry
URL:            http://avogadro.openmolecules.net/
Source:         %{name}-%{version}.tar.gz
BuildRequires:  avogadrolibs-devel
BuildRequires:  chrpath
BuildRequires:  cmake
BuildRequires:  desktop-file-utils
BuildRequires:  doxygen
BuildRequires:  eigen3-devel
BuildRequires:  gcc-c++
BuildRequires:  glew-devel
BuildRequires:  hdf5-devel
BuildRequires:  hicolor-icon-theme
BuildRequires:  libqt5-qtbase-devel
BuildRequires:  libqt5-qttools-devel
BuildRequires:  libQt5OpenGL-devel
BuildRequires:  libQt5OpenGL5
BuildRequires:  libsymspg1
BuildRequires:  molequeue-devel
BuildRequires:  spglib-devel
BuildRequires:  python3-devel
Requires:       openbabel3
Requires:       python3
Provides:       %{app_name}

%description
Avogadro is an advanced molecular editor designed for cross-platform use in
computational chemistry, molecular modeling, bioinformatics, materials science,
and related areas. It offers flexible rendering and a powerful plugin
architecture. The code in this repository is a rewrite of Avogadro with source
code split across a libraries repository and an application repository. Core
features and goals of the Avogadro project:

* Open source distributed under the liberal 3-clause BSD license
* Cross platform with nightly builds on Linux, Mac OS X and Windows
* Intuitive interface designed to be useful to whole community
* Fast and efficient embracing the latest technologies
* Extensible, making extensive use of a plugin architecture
* Flexible supporting a range of chemical data formats and packages

%prep
%setup -q -n %{name}-%{version}

%build
export CFLAGS="%{optflags} -I%{_includedir}/%{app_name}"
export CXXFLAGS="%{optflags} -I%{_includedir}/%{app_name}"
%cmake -Wno-dev \
 -DCMAKE_VERBOSE_MAKEFILE:BOOL=TRUE \
 -DENABLE_RPATH:BOOL=ON \
 -DENABLE_TESTING:BOOL=OFF \
 -DAvogadroLibs_DIR:PATH=%{_libdir} \
 -DBUILD_DOCUMENTATION:BOOL=ON \
 -DCMAKE_BUILD_TYPE:STRING=Release \
 ..

%make_build

%install
%make_install -C build
rm -rf %{buildroot}%{_datadir}/doc

chrpath -d %{buildroot}%{_bindir}/%{app_name}

desktop-file-edit --set-key=Exec --set-value='%{app_name} %f' \
 --set-key=Icon --set-value=avogadro2 \
 --set-key=GenericName --set-value='Open-source advanced molecular editor' \
 --set-key=MimeType --set-value='chemical/x-alchemy;chemical/x-cdxml;chemical/x-cdx;chemical/x-chem3d;chemical/x-cif;chemical/x-cml;chemical/x-daylight-smiles;chemical/x-dmol;chemical/x-gamess-input;chemical/x-gamess-output;chemical/x-gaussian-input;chemical/x-gaussian-log;chemical/x-hin;chemical/x-inchi;chemical/x-inchi-xml;chemical/x-macromodel-input;chemical/x-mdl-molfile;chemical/x-mdl-rdfile;chemical/x-mdl-rxnfile;chemical/x-mdl-sdfile;chemical/x-mdl-tgf;chemical/x-mmcif;chemical/x-mol2;chemical/x-mopac-graph;chemical/x-mopac-input;chemical/x-mopac-out;chemical/x-msi-mdf;chemical/x-msi-msi;chemical/x-pdb;chemical/x-shelx;chemical/x-xyz;' \
 %{buildroot}%{_datadir}/applications/%{app_name}.desktop

for i in avogadro/icons/avogadro2_*.png
do
    size=$(echo ${i##*/avogadro2_} | cut -d '.' -f 1)
    install -Dm644 $i %{buildroot}%{_datadir}/icons/hicolor/${size}x${size}/apps/avogadro2.png
done

%check
pushd build

%files
%doc README.md
%license LICENSE
%{_bindir}/%{app_name}
%{_datadir}/applications/%{app_name}.desktop
%{_datadir}/pixmaps/%{app_name}.png
%{_datadir}/icons/hicolor/*/apps/%{app_name}.png

%changelog

Places

File avogadroapp.spec of Package Avogadro2 (Revision c4d5eb3503cfc2582ebbdec78eb3f907)

Places