Skip to content

Latest commit

 

History

History
17 lines (14 loc) · 905 Bytes

install_openbabel.md

File metadata and controls

17 lines (14 loc) · 905 Bytes
Raw

wxWidget

  • ./configure --prefix=/opt/wxWidget/3.1.1
  • make -j8 ; make install

install eigen

unzip source package

  • Requires gcc 5.X or higher
  • mkdir build; cd build;
  • ~~cmake .. -DCMAKE_INSTALL_PREFIX=/opt/openbabel/2.4.1 DPYTHON_BINDINGS=ON -DBUILD_GUI=ON -DwxWidgets_CONFIG_EXECUTABLE=/opt/wxWidgets/3.1.1/bin/wx-config -DwxWidgets_wxrc_EXECUTABLE=/opt/wxWidgets/3.1.1/bin/wxrc -DPYTHON_EXECUTABLE=/opt/python/3.6.6/bin/python3 -DEIGEN2_INCLUDE_DIR=/opt/eigen/2.0.17/include/eigen2 ~~
  • ccmake ..; # configure manually wxWidgets, Python, Eigen
  • make;make install
  • export PYHTONPATH+=/usr/nic/apps/openbabel/2.4.1/lib/python3.6/site-packages will make an error of cannot finding DLFNC module.
  • Go pypi and download openbabel.*tar.gz and unzip it
  • python3 setup.py build_ext -I/opt/apps/openbabel/2.4.1/include/openbabel-2.0 -L/opt/apps/openbabel/2.4.1/lib
  • python3 setup.py install