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Name: DSR
Version: 241
Release: alt1

Summary: DSR - A program for modelling of disordered solvents with SHELXL
License: Beerware
Group: Sciences/Chemistry
URL: https://dkratzert.de/dsr.html

BuildArch: noarch

Source: %name-version-%version.zip
Source1: dsrchangelog.html

%add_python3_path %_datadir/%name
%add_findprov_skiplist %_datadir/%name/*

BuildRequires(pre): rpm-build-python3
#BuildRequires: xclip
BuildRequires: /usr/bin/unzip

%description
This program consists of a text database with fragments of molecules and
the DSR program. It acts as a preprocessor for SHELXL .res files. The user
inserts a special command in the SHELXL .res file and the DSR program reads
this information to put a molecule or fragment with the desired atoms on the
position of the target atoms specified by the user. Bond restraints are applied
from the database to the molecule.
Development is on GitHub: https://github.com/dkratzert/dsr

%prep
%setup -n %name-version-%version
cp -a %SOURCE1 .
cd src/dsr_shelx
sed -i 's|#!.*python|&3|' $(find ./ -name '*.py')
sed -i 's|# /usr/bin/env python|#!/usr/bin/env python3|' $(find ./ -name '*.py')

%build
cat > %name.sh << EOF
#!/bin/sh
export DSR_DIR=%_datadir/DSR
PYTHON_EXE=%__python3
if [ \$# -eq 0 ]; then
   \$PYTHON_EXE \$DSR_DIR/dsr.py --help
else
   \$PYTHON_EXE \$DSR_DIR/dsr.py \$*
fi
EOF

%install
mkdir -p %buildroot%_bindir
mkdir -p %buildroot%_datadir/%name
mkdir -p %buildroot%_datadir/%name/manuals
mkdir -p %buildroot%_datadir/%name/example
mkdir -p %buildroot%_datadir/%name/fit

install -m 755 %name.sh %buildroot%_bindir/dsr
install -m 644 src/dsr_shelx/*.py %buildroot%_datadir/%name
install -m 644 src/dsr_shelx/dsr_db.txt %buildroot%_datadir/%name
install -m 644 src/dsr_shelx/olex_dsr_db.txt %buildroot%_datadir/%name
install -m 644 manuals/DSR-manual.pdf %buildroot%_datadir/%name/manuals
install -m 644 example/* %buildroot%_datadir/%name/example
cp -R src/dsr_shelx/fit %buildroot%_datadir/%name

%files
%doc README dsrchangelog.html
%_bindir/dsr
%_datadir/%name

%changelog
…
Full changelog you can see here