# 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