155 lines
5.3 KiB
RPMSpec
155 lines
5.3 KiB
RPMSpec
#
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# spec file for package inchi
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#
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# Copyright (c) 2022 SUSE LLC
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#
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# All modifications and additions to the file contributed by third parties
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# remain the property of their copyright owners, unless otherwise agreed
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# upon. The license for this file, and modifications and additions to the
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# file, is the same license as for the pristine package itself (unless the
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# license for the pristine package is not an Open Source License, in which
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# case the license is the MIT License). An "Open Source License" is a
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# license that conforms to the Open Source Definition (Version 1.9)
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# published by the Open Source Initiative.
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# Please submit bugfixes or comments via https://bugs.opensuse.org/
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#
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%define abiver 1
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%define urlver 106
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Name: inchi
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Version: 1.06
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Release: 0
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Summary: The IUPAC International Chemical Identifier
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License: LGPL-2.0-or-later
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URL: https://www.inchi-trust.org
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Source0: https://www.inchi-trust.org/download/%{urlver}/INCHI-1-SRC.zip
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Source1: https://www.inchi-trust.org/download/%{urlver}/INCHI-1-DOC.zip
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Source2: https://www.inchi-trust.org/download/%{urlver}/INCHI-1-TEST.zip
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# PATCH-FIX-UPSTREAM inchi-1.06-optflags.patch -- Pass optflags to compiler and don't require gcc-c++ (picked from Fedora)
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Patch0: inchi-1.06-optflags.patch
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# PATCH-FIX-UPSTREAM inchi-1.06-big-endian.patch -- Fix tests on big-endian architectures (rh#1930943)
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Patch1: inchi-1.06-big-endian.patch
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BuildRequires: dos2unix
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BuildRequires: gcc
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BuildRequires: unzip
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Suggests: inchi-doc
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%description
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The IUPAC International Chemical Identifier (InChI) is a non-proprietary
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identifier for chemical substances that can be used in printed and
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electronic data sources thus enabling easier linking of diverse data
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compilations. It was developed under IUPAC Project 2000-025-1-800 during
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the period 2000-2004. Details of the project and the history of its
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progress are available from the project web site.
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This package contains the command line conversion utility.
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%package -n libinchi%{abiver}
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Summary: The IUPAC International Chemical Identifier library
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%description -n libinchi%{abiver}
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The IUPAC International Chemical Identifier (InChI) is a non-proprietary
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identifier for chemical substances that can be used in printed and
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electronic data sources thus enabling easier linking of diverse data
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compilations. It was developed under IUPAC Project 2000-025-1-800 during
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the period 2000-2004. Details of the project and the history of its
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progress are available from the project web site.
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This package contains the InChi shared library.
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%package devel
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Summary: Development headers for the InChI library
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Requires: libinchi%{abiver} = %{version}
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Suggests: inchi-doc
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# openbabel-devel used to ship the headers of its bundled inchi
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Conflicts: openbabel-devel <= 2.4.1
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%description devel
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This package contains the development files for the InChI library.
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%package doc
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Summary: Documentation for the InChI library
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BuildArch: noarch
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%description doc
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This package contains the user documentation for the InChI software
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and InChI library API reference for developers.
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%prep
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# Extract Source0 then cd into extracted directory then extract Source1 then extract Source2
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%setup -q -n INCHI-1-SRC -a 1 -a 2
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%autopatch -p1
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dos2unix -k readme.txt
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# Remove files from INCHI-1-DOC that are already present in ICHI-1-SRC so that they are not listed twice
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rm -v INCHI-1-DOC/{LICENCE.pdf,readme.txt}
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# Uncompress test datasets and reference test outputs
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cd INCHI-1-TEST/test
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unzip -d reference -qq -a test-results.zip
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unzip -qq -a test-datasets.zip
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dos2unix -k reference/*.inc *.sdf
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# Test scripts are Windows batch scripts; turn them into shell scripts
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for test_script in inchify_{InChI_TestSet,zzp} ; do
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sed -e 's,REM,#,g' \
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-e 's,/,-,g' \
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-e 's,NUL,/dev/null,g' \
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-e 's,inchi-1.exe,../../INCHI_EXE/bin/Linux/inchi-1,g' \
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${test_script}.cmd > ${test_script}.sh
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dos2unix ${test_script}.sh
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done
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%build
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export OPTFLAGS="%{optflags}"
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%make_build -C INCHI_API/demos/inchi_main/gcc
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%make_build -C INCHI_EXE/inchi-1/gcc
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%install
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# Install binary
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install -pm 755 INCHI_EXE/bin/Linux/inchi-1 -D -t %{buildroot}%{_bindir}
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# Install shared library and do the appropriate links
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install -p INCHI_API/bin/Linux/libinchi.so.%{abiver}.*.* -D -t %{buildroot}%{_libdir}
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ln -s $(basename %{buildroot}%{_libdir}/libinchi.so.%{abiver}.*.*) %{buildroot}%{_libdir}/libinchi.so.%{abiver}
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ln -s libinchi.so.%{abiver} %{buildroot}%{_libdir}/libinchi.so
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# Install the headers
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install -pm644 INCHI_BASE/src/{ichisize,inchi_api,ixa}.h -D -t %{buildroot}%{_includedir}/inchi
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%post -n libinchi%{abiver} -p /sbin/ldconfig
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%postun -n libinchi%{abiver} -p /sbin/ldconfig
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%check
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# Run tests
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cd INCHI-1-TEST/test
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for test_script in inchify_{InChI_TestSet,zzp} ; do
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sh ./${test_script}.sh
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done
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# Compare test outputs with reference test outputs
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for test_output in its-*.inc zzp-*.inc ; do
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diff -u reference/${test_output} ${test_output}
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done
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%files
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%license LICENCE.pdf
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%{_bindir}/inchi-1
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%files -n libinchi%{abiver}
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%license LICENCE.pdf
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%{_libdir}/libinchi.so.%{abiver}*
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%files devel
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%license LICENCE.pdf
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%{_includedir}/inchi
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%{_libdir}/libinchi.so
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%files doc
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%license LICENCE.pdf
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%doc readme.txt INCHI-1-DOC/*
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%changelog
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