This version (2024/10/24 10:28) is a draft.
Approvals: 0/1The Previously approved version (2012/10/01 08:03) is available.
Approvals: 0/1The Previously approved version (2012/10/01 08:03) is available.
Openbabel
VSC-1
Eigen2:
wget http://bitbucket.org/eigen/eigen/get/2.0.17.tar.gz tar zxvf 2.0.17.tar.gz mkdir build_eigen cd build_eigen cmake ../eigen-eigen-b23437e61a07/ -DCMAKE_INSTALL_PREFIX=/opt/sw/eigen/2.0.17 make install
Openbabel:
wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.1/openbabel-2.3.1.tar.gz tar zxvf openbabel-2.3.1.tar.gz mkdir build cd build cmake ../openbabel-2.3.1 -DCMAKE_INSTALL_PREFIX=/opt/sw/openbabel/2.3.1 \ -DPYTHON_EXECUTABLE:FILEPATH=/usr/bin/python2.4 \ -DBUILD_GUI=OFF -DPYTHON_BINDINGS=ON -DEIGEN2_INCLUDE_DIR=/opt/sw/eigen/2.0.17/include/eigen2/ make make install
update PYTHONPATH and LD_LIBRARY_PATH in ~/.bashrc:
export LD_LIBRARY_PATH=/opt/sw/openbabel/2.3.1/lib:$LD_LIBRARY_PATH export PYTHONPATH=/opt/sw/openbabel/2.3.1/lib64/python2.4/site-packages:$PYTHONPATH
python usage:
$ python Python 2.4.3 (#1, Nov 11 2010, 13:30:19) [GCC 4.1.2 20080704 (Red Hat 4.1.2-48)] on linux2 Type "help", "copyright", "credits" or "license" for more information. >>> import openbabel >>>