%define inchi_so_ver 1.06.00

%define url_ver 106

Summary: The IUPAC International Chemical Identifier library

Name: inchi

Version: 1.0.6

Release: 3%{?dist}

URL: https://www.inchi-trust.org/about-the-inchi-standard/

Source0: https://www.inchi-trust.org/download/%{url_ver}/INCHI-1-SRC.zip

Source1: https://www.inchi-trust.org/download/%{url_ver}/INCHI-1-DOC.zip

Source2: https://www.inchi-trust.org/download/%{url_ver}/INCHI-1-TEST.zip

Patch0: %{name}-rpm.patch

# reported upstream:

# https://sourceforge.net/p/inchi/bugs/77/

Patch1: %{name}-1.0.6-0001-MolfileReadCountsLine-fix-storing-n_atoms-n_bonds-me.patch

License: LGPLv2+

BuildRequires: dos2unix

BuildRequires: gcc

BuildRequires: make

%description

The IUPAC International Chemical Identifier (InChITM) is a non-proprietary

identifier for chemical substances that can be used in printed and

electronic data sources thus enabling easier linking of diverse data

compilations. It was developed under IUPAC Project 2000-025-1-800 during

the period 2000-2004. Details of the project and the history of its

progress are available from the project web site.

This package contains the command line conversion utility.

%package libs

Summary: The IUPAC International Chemical Identifier library

%description libs

The IUPAC International Chemical Identifier (InChITM) is a non-proprietary

identifier for chemical substances that can be used in printed and

electronic data sources thus enabling easier linking of diverse data

compilations. It was developed under IUPAC Project 2000-025-1-800 during

the period 2000-2004. Details of the project and the history of its

progress are available from the project web site.

%package devel

Summary: Development headers for the InChI library

Requires: %{name}-libs%{_isa} = %{version}-%{release}

%description devel

The inchi-devel package includes the header files and libraries

necessary for developing programs using the InChI library.

If you are going to develop programs which will use this library

you should install inchi-devel.  You'll also need to have the

inchi package installed.

%package doc

Summary: Documentation for the InChI library

Requires: %{name} = %{version}-%{release}

BuildArch: noarch

%description doc

The inchi-doc package contains user documentation for the InChI software

and InChI library API reference for developers.

%prep

%setup -q -n INCHI-1-SRC -a 1 -a 2

%patch0 -p1 -b .r

%patch1 -p1 -b .big_endian

for file in readme.txt ; do

  dos2unix -k $file

done

pushd INCHI-1-TEST/test

unzip -d reference -qq -a test-results.zip

unzip -qq -a test-datasets.zip

dos2unix -k reference/*.inc *.sdf

for f in inchify_{InChI_TestSet,zzp} ; do

    sed -e 's,REM,#,g' -e 's,/,-,g' -e 's,NUL,/dev/null,g' -e 's,inchi-1.exe,../../INCHI_EXE/bin/Linux/inchi-1,g' ${f}.cmd >${f}.sh

    dos2unix ${f}.sh

done

popd

%build

pushd INCHI_API/demos/inchi_main/gcc

%make_build SHARED_LINK_PARM="%{optflags}" OPTFLAGS="%{optflags} -Wno-comment -Wno-parentheses -Wno-unused -Wno-unused-but-set-variable"

popd

pushd INCHI_EXE/inchi-1/gcc

%make_build LINKER_OPTIONS="%{optflags}" OPTFLAGS="%{optflags} -Wno-comment -Wno-parentheses -Wno-unused -Wno-unused-but-set-variable"

popd

%install

mkdir -p $RPM_BUILD_ROOT{%{_bindir},%{_libdir},%{_includedir}/inchi}

install -pm 755 INCHI_EXE/bin/Linux/inchi-1 %{buildroot}%{_bindir}/

install -p INCHI_API/bin/Linux/libinchi.so.%{inchi_so_ver} $RPM_BUILD_ROOT%{_libdir}

ln -s libinchi.so.%{inchi_so_ver} $RPM_BUILD_ROOT%{_libdir}/libinchi.so.1

ln -s libinchi.so.1               $RPM_BUILD_ROOT%{_libdir}/libinchi.so

install -pm644 INCHI_BASE/src/{ichisize,inchi_api,ixa}.h $RPM_BUILD_ROOT%{_includedir}/inchi

%check

export LD_LIBRARY_PATH=$(pwd)/INCHI_API/bin/Linux/

pushd INCHI-1-TEST/test

for f in inchify_{InChI_TestSet,zzp} ; do

    sh ./${f}.sh

done

for t in its-*.inc zzp-*.inc ; do diff -u reference/$t $t ; done

popd

%files

%{_bindir}/inchi-1

%files libs

%license LICENCE.pdf

%doc readme.txt

%{_libdir}/libinchi.so.1*

%files devel

%{_includedir}/inchi

%{_libdir}/libinchi.so

%files doc

%doc INCHI-1-DOC/*

%changelog

* Thu Nov 25 2021 Mamoru TASAKA <mtasaka@fedoraproject.org> - 1.0.6-3

- Fix member read size mistake, especially on big endian (#1930943)

* Thu Jul 22 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.6-2

- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild

* Fri Feb 19 2021 Dominik Mierzejewski <rpm@greysector.net> 1.0.6-1

- update to 1.0.6 (#1910095)

- allow tests to fail on s390x (#1930943)

* Thu Feb  4 2021 Jerry James <loganjerry@gmail.com> - 1.0.5-12

- Install ichisize.h (bz 1911393)

* Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-11

- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild

* Tue Jul 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-10

- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild

* Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-9

- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild

* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-8

- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild

* Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-7

- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild

* Sun Jul 22 2018 Dominik Mierzejewski <rpm@greysector.net> 1.0.5-6

- Add BR: gcc for https://fedoraproject.org/wiki/Changes/Remove_GCC_from_BuildRoot

- Drop unnecessary scriptlets

- Drop ancient Obsoletes:

- Switch to HTTPS in URLs

* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-5

- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild

* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-4

- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild

* Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-3

- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild

* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-2

- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild

* Tue Mar 21 2017 Dominik Mierzejewski <rpm@greysector.net> 1.0.5-1

- update to 1.05 (final)

- drop obsolete patch

* Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.5-0.3

- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild

* Tue Oct 11 2016 Dominik Mierzejewski <rpm@greysector.net> 1.0.5-0.2

- fix some misc issues (patch by Burt Leland and Noel O'Boyle)

- silence some harmless warnings to reduce gcc warning spam

* Fri Oct 07 2016 Dominik Mierzejewski <rpm@greysector.net> 1.0.5-0.1

- update to 1.05 (pre-release)

- update URLs

- include new IXA API header

- use license macro

- drop obsolete defattr

* Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 1.0.4-10

- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild

* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.4-9

- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild

* Sat Aug 16 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.4-8

- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild

* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.4-7

- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild

* Thu May 01 2014 Dominik Mierzejewski <rpm@greysector.net> 1.0.4-6

- update source URLs

- drop obsolete specfile parts

- enable testsuite

- build CLI tool and move libinchi to -libs subpackage

- fix undefined weak symbol warnings for libinchi

* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.4-5

- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild

* Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.4-4

- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild

* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.4-3

- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild

* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.4-2

- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild

* Wed Oct 12 2011 Dominik Mierzejewski <rpm@greysector.net> 1.0.4-1

- update to 1.04

- update homepage and source URLs

- use dos2unix for EOL conversion

* Wed Feb 09 2011 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.3-2

- Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild

* Wed Jul 07 2010 Dominik Mierzejewski <rpm@greysector.net> 1.0.3-1

- updated to 1.03 (ABI break)

- rebased patch

* Thu Oct 08 2009 Dominik Mierzejewski <rpm@greysector.net> 1.0.2-2

- added doc subpackage (based on a patch by Takanori MATSUURA)

* Wed Aug 26 2009 Dominik Mierzejewski <rpm@greysector.net> 1.0.2-1

- updated to final 1.02 release (unfortunately, it breaks ABI)

* Fri Jul 24 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.2-0.5

- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild

* Tue Feb 24 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.0.2-0.4

- Rebuilt for https://fedoraproject.org/wiki/Fedora_11_Mass_Rebuild

* Tue Feb 19 2008 Fedora Release Engineering <rel-eng@fedoraproject.org> - 1.0.2-0.3

- Autorebuild for GCC 4.3

* Mon Oct 01 2007 Dominik Mierzejewski <rpm@greysector.net> 1.0.2-0.2

- updated license tag

- fixed non-Unix EOLs in docs

- fixed dangling symlinks

* Thu Sep 06 2007 Dominik Mierzejewski <rpm@greysector.net> 1.0.2-0.1

- updated to 1.02b

- dropped WDI patch (upstream'd)

- updated license tag

* Sun Jul 01 2007 Dominik Mierzejewski <rpm@greysector.net> 1.0.1-8

- initial build