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fragbuilder installation instructions, assuming anaconda python
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# clone repo | |
git clone https://github.com/andersx/fragbuilder | |
# add to path, wherever you put it | |
export PYTHONPATH="${HOME}/git-repos/fragbuilder":$PYTHONPATH | |
# install openbabel dependency | |
git clone git://github.com/openbabel/openbabel.git | |
cd openbabel | |
mkdir build | |
cd build | |
# might need to change ~/anaconda/share/swig/3.0.7/ to a different version below | |
# on mac, need to change .so extension to .dylib | |
conda install cmake lxml swig | |
cmake .. \ | |
-DPYTHON_BINDINGS=ON \ | |
-DRUN_SWIG=ON \ | |
-DCMAKE_INSTALL_PREFIX=~/anaconda \ | |
-DPYTHON_INCLUDE_DIR=~/anaconda/include/python2.7 \ | |
-DCMAKE_LIBRARY_PATH=~/anaconda/lib \ | |
-DSWIG_DIR=~/anaconda/share/swig/3.0.7/ \ | |
-DSWIG_EXECUTABLE=~/anaconda/bin/swig \ | |
-DPYTHON_LIBRARY=~/anaconda/lib/libpython2.7.so | |
make | |
make test | |
sudo make install | |
# not sure about his part: | |
mv ~/anaconda/lib/_openbabel.so ~/anaconda/lib/openbabel.py | |
~/anaconda/lib/pybel.py ~/anaconda/lib/python2.7/site-packages/ |
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