%if 0%{?rhel} && 0%{?rhel} <= 6

# Failsafe backport of Python2-macros for RHEL <= 6

%{!?python_sitelib:	%global python_sitelib		%(%{__python} -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())")}

%{!?python_sitearch:	%global python_sitearch		%(%{__python} -c "from distutils.sysconfig import get_python_lib; print(get_python_lib(1))")}

%{!?python_version:	%global python_version		%(%{__python} -c "import sys; sys.stdout.write(sys.version[:3])")}

%{!?__python2:		%global __python2		%{__python}}

%{!?python2_sitelib:	%global python2_sitelib		%{python_sitelib}}

%{!?python2_sitearch:	%global python2_sitearch	%{python_sitearch}}

%{!?python2_version:	%global python2_version		%{python_version}}

%endif

%if 0%{?fedora} > 12

%global			with_python3	1

%endif

%global upstream_name ase

%global upstream_commit 88f25faf32519e6e191d1e702b0554d2e5f43399

Name:			python-ase

Version:		3.11.0

Release:		20%{?dist}

Summary:		Atomic Simulation Environment

%{?el5:Group:		Applications/Scientific}

# 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}-%{upstream_commit}.tar.gz

%{?el5:BuildRoot:	%(mktemp -ud %{_tmppath}/%{upstream_name}-%{version}-%{upstream_commit}-%{release}-XXXXXX)}

BuildArch:		noarch

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

BuildRequires:		python2-devel

%if 0%{?with_python3}

BuildRequires:		python3-devel

%endif # if with_python3

BuildRequires:		gettext

BuildRequires:		desktop-file-utils

BuildRequires:		numpy

%if 0%{?with_python3}

BuildRequires:		python3-numpy

%endif # if with_python3

%if 0%{?rhel} && 0%{?rhel} <= 6

Requires:		pygtk2

%endif

Requires:		python-matplotlib

%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.

%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}-%{upstream_commit}

# 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

%{?el5:rm -rf $RPM_BUILD_ROOT}

%if 0%{?with_python3}

pushd %{py3dir}

%{__python3} setup.py install --skip-build --prefix=%{_prefix} \

	   --optimize=1 --root $RPM_BUILD_ROOT

popd

# Rename Python 3 binaries

for file in `find $RPM_BUILD_ROOT/%{_bindir}/ -name "ase-*"`; do

  mv -f ${file} $RPM_BUILD_ROOT/%{_bindir}/`basename $file`3

done

# 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

# 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`/build/scripts-%{python3_version}:${PATH}

mkdir testase && cd testase

LC_ALL=C.UTF-8 %{__python3} -c "from ase.test import test; test(verbosity=2, display=False)"

cd -

popd

%endif # with_python3

export PYTHONPATH=`pwd`/build/lib

export PATH=`pwd`/build/scripts-%{python2_version}:${PATH}

mkdir testase && cd testase

LC_ALL=C.UTF-8 %{__python2} -c "from ase.test import test; test(verbosity=2, display=False)"

cd -

%clean

%{?el5:rm -rf $RPM_BUILD_ROOT}

%files -f files2.list

%defattr(-,root,root,-)

%doc COPYING* LICENSE README*

%{_bindir}/ase-*

%if 0%{?with_python3}

%exclude %{_bindir}/ase-*3

%endif # with_python3

%{?!el5:%{python2_sitelib}/*.egg-info}

%{_datadir}/applications/%{upstream_name}-gui.desktop

%{_datadir}/pixmaps/%{upstream_name}.png

%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 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