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rpms / python-ase

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Fedora:: marcindulak
EPEL:: marcindulak
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Commit: 4215fc34f8d2df99108ed36e13e43b6c32e14122
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# Warning:
# Anyone editing this spec file please make sure the same spec file
# works on other fedora and epel releases, which are supported by this software.
# No quick Rawhide-only fixes will be allowed.

%if 0%{?fedora}
%global		with_python3	1
%else
%global		with_python3	0
%endif

%global upstream_name ase

Name:			python-ase
Version:		3.16.2
Release:		2%{?dist}
Summary:		Atomic Simulation Environment


# The entire source code is LGPLv2+ except:
# ase/io/fortranfile.py which is MIT
License:		LGPLv2+ and MIT

URL:			https://wiki.fysik.dtu.dk/ase/
Source0:		https://gitlab.com/%{upstream_name}/%{upstream_name}/repository/archive.tar.gz?ref=%{version}#/%{upstream_name}-%{version}.tar.gz

BuildArch:		noarch

%global PKG_TOP $RPM_BUILD_DIR/%{upstream_name}-%{version}

BuildRequires:		python2-devel
%if 0%{?with_python3}
BuildRequires:		python3-devel
%endif # if with_python3
BuildRequires:		gettext
BuildRequires:		desktop-file-utils

%if 0%{?fedora}
BuildRequires:		python2-numpy
%else
BuildRequires:		numpy
%endif
%if 0%{?with_python3}
BuildRequires:		python3-numpy
%endif # if with_python3

%global _description\
The Atomic Simulation Environment (ASE) is the common part of the simulation\
tools developed at CAMd. ASE provides Python modules for manipulating atoms,\
analyzing simulations, visualization etc.

%description %_description

%package -n python2-ase
Summary: %summary
Requires:		python%{?fedora:2}-matplotlib
%{?python_provide:%python_provide python2-ase}

%description -n python2-ase %_description

%if 0%{?with_python3}
%package -n python3-ase
Summary:		Atomic Simulation Environment for Python 3
Requires:		python3-matplotlib

%description -n python3-ase
The Atomic Simulation Environment (ASE) is the common part of the simulation
tools developed at CAMd. ASE provides Python 3 modules for manipulating atoms,
analyzing simulations, etc.
%endif # with_python3

%prep
%setup -qn %{upstream_name}-%{version}

# copy required sources and remove doc directory
cp -p doc/static/%{upstream_name}256.png %{upstream_name}.png
cp -p doc/%{upstream_name}-gui.desktop %{upstream_name}-gui.desktop
rm -rf doc

%if 0%{?with_python3}
rm -rf %{py3dir}
cp -a . %{py3dir}
find %{py3dir} -name '*.py' | xargs sed -i '1s|^#!python|#!%{__python3}|'
%endif # with_python3

find -name '*.py' | xargs sed -i '1s|^#!python|#!%{__python2}|'


%build
%if 0%{?with_python3}
pushd %{py3dir}
%{__python3} setup.py build
popd
%endif # with _python3

%{__python2} setup.py build


%install

%if 0%{?with_python3}
pushd %{py3dir}
%{__python3} setup.py install --skip-build --prefix=%{_prefix} \
	   --optimize=1 --root $RPM_BUILD_ROOT
popd
# Rename Python 3 scripts
pushd $RPM_BUILD_ROOT/%{_bindir}
for file in `find . -name "ase*"`; do
  mv -fv ${file} `basename $file`3
done
popd
# remove ase-gui3 (not working)
rm -f $RPM_BUILD_ROOT/%{_bindir}/ase-gui3
# remove .mo files
find $RPM_BUILD_ROOT%{python3_sitelib}/%{upstream_name} -type f -name "*.mo" | xargs rm
%endif # with_python3


%{__python2} setup.py install --skip-build --prefix=%{_prefix} \
           --optimize=1 --root $RPM_BUILD_ROOT
# Rename Python 2 scripts
pushd $RPM_BUILD_ROOT/%{_bindir}
for file in `find . -name "ase*" | grep -v 3`; do
  mv -fv ${file} `basename $file`2
done
popd
# Link Python 2 scripts
pushd $RPM_BUILD_ROOT/%{_bindir}
for file in `find . -name "ase*2"`; do
  ln -sv ${file} `echo $file | rev | cut -c 2- | rev`
done
popd

# doc would go under $RPM_BUILD_ROOT%%{_datadir}/%%{name}
# if only we get rid of povray dependency one could build doc with:
# cd $RPM_BUILD_ROOT%%{_datadir}/%%{name}/doc&& sphinx-build . _build

mkdir -p $RPM_BUILD_ROOT%{_datadir}/applications
desktop-file-install \
--dir $RPM_BUILD_ROOT%{_datadir}/applications \
%if (0%{?fedora} && 0%{?fedora} < 20) || (0%{?rhel} && 0%{?rhel} < 7)
--vendor "%{upstream_name}" \
%endif
%{upstream_name}-gui.desktop

mkdir -p $RPM_BUILD_ROOT%{_datadir}/pixmaps
install -p -m 644 %{upstream_name}.png $RPM_BUILD_ROOT%{_datadir}/pixmaps

# we store translations in ase/gui/po/*/*/ag.mo
# but /usr/lib/rpm/find-lang.sh wants locale (Fedora) or share/locale (el6)
mkdir $RPM_BUILD_ROOT%{python2_sitelib}/%{upstream_name}/gui/share
cp -rp $RPM_BUILD_ROOT%{python2_sitelib}/%{upstream_name}/gui/po $RPM_BUILD_ROOT%{python2_sitelib}/%{upstream_name}/gui/share/locale
%find_lang ag
rm -rf $RPM_BUILD_ROOT%{python2_sitelib}/%{upstream_name}/gui/share
sed -i "s|share/locale|po|g" %{PKG_TOP}/ag.lang

# create list of all installed dirs/files(exclude *.mo) and concat with ag.lang
find $RPM_BUILD_ROOT%{python2_sitelib}/%{upstream_name} -type d | xargs -I _file echo "%dir _file" > %{PKG_TOP}/d2.list
find $RPM_BUILD_ROOT%{python2_sitelib}/%{upstream_name} -type f ! -name "*.mo" > %{PKG_TOP}/f2.list
cat %{PKG_TOP}/ag.lang %{PKG_TOP}/d2.list %{PKG_TOP}/f2.list > %{PKG_TOP}/files2.list
# trim the $RPM_BUILD_ROOT
sed -i "s|$RPM_BUILD_ROOT||g" %{PKG_TOP}/files2.list


%if 0%{?with_python3}
# create list of all installed dirs/files(exclude *.mo) for Python 3
find $RPM_BUILD_ROOT%{python3_sitelib}/%{upstream_name} -type d | xargs -I _file echo "%dir _file" > %{PKG_TOP}/d3.list
find $RPM_BUILD_ROOT%{python3_sitelib}/%{upstream_name} -type f ! -name "*.mo"  > %{PKG_TOP}/f3.list
cat %{PKG_TOP}/d3.list %{PKG_TOP}/f3.list > %{PKG_TOP}/files3.list
# trim the $RPM_BUILD_ROOT
sed -i "s|$RPM_BUILD_ROOT||g" %{PKG_TOP}/files3.list
%endif # with_python3


%check
%if 0%{?with_python3}
pushd %{py3dir}
export PYTHONPATH=`pwd`/build/lib
export PATH=`pwd`/bin:${PATH}  # the tests assume Python 3 scripts are named the same as Python 2 scripts
mkdir testase && cd testase
LC_ALL=C.UTF-8 %{__python3} -m ase test --verbose
cd -
popd
%endif # with_python3

export PYTHONPATH=`pwd`/build/lib
export PATH=`pwd`/bin:${PATH}
mkdir testase && cd testase
LC_ALL=C.UTF-8 %{__python2} -m ase test --verbose
cd -


%files -n python2-ase -f files2.list
%defattr(-,root,root,-)
%doc COPYING* LICENSE README*
%{_bindir}/ase*
%if 0%{?with_python3}
%exclude %{_bindir}/ase*3
%endif # with_python3
%{_datadir}/applications/%{upstream_name}-gui.desktop
%{_datadir}/pixmaps/%{upstream_name}.png
%{python2_sitelib}/*.egg-info

%if 0%{?with_python3}
%files -n python3-ase -f files3.list
%defattr(-,root,root,-)
%doc COPYING* LICENSE README*
%{_bindir}/ase*3
%{python3_sitelib}/*.egg-info
%endif # with_python3

%changelog
* Tue Jun 19 2018 Miro Hrončok <mhroncok@redhat.com> - 3.16.2-2
- Rebuilt for Python 3.7

* Fri Jun 08 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.16.2-1
- new upstream release
- no more git commit in tar directory name

* Sat Apr 07 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.16.0-1
- new upstream release
- clean rhel5 leftovers
- drop rhel6 support: Python 2.7 is required
- drop rhel7 support: Numpy 1.9 is required
- link Python 2 scripts as defaults

* Mon Mar 26 2018 Iryna Shcherbina <ishcherb@redhat.com> - 3.13.0-5
- Update Python 2 dependency declarations to new packaging standards
  (See https://fedoraproject.org/wiki/FinalizingFedoraSwitchtoPython3)

* Fri Feb 09 2018 Fedora Release Engineering <releng@fedoraproject.org> - 3.13.0-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild

* Sat Aug 19 2017 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 3.13.0-3
- Python 2 binary package renamed to python2-ase
  See https://fedoraproject.org/wiki/FinalizingFedoraSwitchtoPython3

* Thu Jul 27 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.13.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild

* Mon Feb 13 2017 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.13.0-1
- new, upstream

* Sat Feb 11 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.12.0-24
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild

* Mon Dec 19 2016 Miro Hrončok <mhroncok@redhat.com> - 3.12.0-23
- Rebuild for Python 3.6

* Tue Nov 08 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.12.0-22
- new way of running tests

* Sat Nov 05 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.12.0-21
- new upstream release

* Mon Sep 26 2016 Dominik Mierzejewski <rpm@greysector.net> - 3.11.0-21
- rebuilt for matplotlib-2.0.0

* Tue Jul 19 2016 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.11.0-20
- https://fedoraproject.org/wiki/Changes/Automatic_Provides_for_Python_RPM_Packages

* Sat Jun 18 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.11.0-19
- upstream moved to gitlab

* Wed Feb 17 2016 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.10.0-18
- upstream 3.10.1, no more upstream_svn
- LC_ALL=C.UTF-8 needed by the tests

* Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 3.9.1.4567-17
- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild

* Tue Nov 10 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.9.1.4567-16
- Rebuilt for https://fedoraproject.org/wiki/Changes/python3.5

* Wed Jul 22 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.9.1.4567-15
- upstream 3.9.1.4567
- files-attr

* Fri May 29 2015 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.9.0.4465-14
- python3, build log files removed
- upstream 3.9.0.4465

* Fri Oct 31 2014 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.8.1.3440-13
- larger icon - https://bugzilla.redhat.com/show_bug.cgi?id=1157516

* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.8.1.3440-12
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild

* Sat May 03 2014 Björn Esser <bjoern.esser@gmail.com> - 3.8.1.3440-11
- failsafe backport of Python2-macros for RHEL <= 6

* Fri Jan 17 2014 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.8.1.3440-10
- https://bugzilla.redhat.com/show_bug.cgi?id=1044199
- https://bugzilla.redhat.com/show_bug.cgi?id=1044200

* Tue Dec 10 2013 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.8.1.3440-9
- upstream patch for launching ase-gui without terminal (gtk-launch ase-gui)
- desktop file in svn

* Sat Nov 30 2013 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.8.1.3440-8
- fix Exec in ase-gui.desktop
- remove MANIFEST.in from %%doc 
- PATH modified for tests to include scripts dir

* Fri Nov 22 2013 Marcin Dulak <Marcin.Dulak@gmail.com> - 3.8.1.3440-7
- new upstream version, old patches removed

* Thu Sep 19 2013 Björn Esser <bjoern.esser@gmail.com> - 3.7.1.3184-6
- Devendorized!

* Sun Aug 04 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.7.1.3184-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild

* Tue Jun 25 2013 Marcin Dulak <Marcin.Dulak@gmail.com> 3.7.1.3184-4
- fix bug #976886 c#9

* Sun Jun 23 2013 Marcin Dulak <Marcin.Dulak@gmail.com> 3.7.1.3184-3
- builds on el5
- remove doc
- %%{upstream_name}.png goes to %%{_datadir}/pixmaps
- fix bug #976886 c#4

* Sat Jun 22 2013 Marcin Dulak <Marcin.Dulak@gmail.com> 3.7.1.3184-2
- include desktop file
- partly fix bug#976886#c1 and #c2

* Fri Jun 21 2013 Marcin Dulak <Marcin.Dulak@gmail.com> 3.7.1.3184-1
- trimmed for Fedora/RHEL

* Mon May 6 2013 Marcin Dulak <Marcin.Dulak@fysik.dtu.dk> 3.6.1-2
- include docs

* Mon Jun 11 2012 Marcin Dulak <Marcin.Dulak@fysik.dtu.dk> 3.6.0-1
- restructured for build.opensuse.org and Fedora based on campos-ase3.spec

* Tue Apr 27 2010 Marcin Dulak <Marcin.Dulak@fysik.dtu.dk>
- common Requires for EL, Fedora, openSUSE
- perform testase.py when building
- removed dependecy in python-lxml

* Wed Jun 18 2008 Marcin Dulak <Marcin.Dulak@fysik.dtu.dk>
- FC 9: set -- ${variable} converts dashes of $1 into underlines so use $2

* Mon Jun 16 2008 Marcin Dulak <Marcin.Dulak@fysik.dtu.dk>
- initial version
rpms / python-ase

Source Code

Files
