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===========================================================================
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tsscds. A computer program for finding reaction mechanisms and solving the kinetics.
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Copyright (C) 2018 Emilio Martinez-Nunez, Aurelio Rodriguez, Roberto Rodriguez-Fernandez, Saulo Vazquez-Rodriguez, George L. Barnes and James J. P. Stewart
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This program is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with this program. If not, see <http://www.gnu.org/licenses/>.
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===========================================================================
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Before installing tsscds, be aware that the program makes use of the following packages that need to be installed in your linux distribution:
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GNU parallel, sqlite3, python2 (with numpy and scipy libraries), environment modules, g09, and zenity3.
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Once “Environment modules” is installed, you can add to your .bashrc the following line to use the tsscds module:
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module use path_to_program/modules
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Where path_to_program is the path where you intend to install tsscds (like $HOME/tsscds-2018).
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You will also need g09 to run the high-level calculations and it should be run as: g09<input>output.
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Then, to install the program, follow these steps:
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1) ./configure
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This will install tsscds in $HOME/tsscds-2018 by default.
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If you want to install it in a different directory, use :
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./configure --prefix=path_to_program
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2) make
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3) make install
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###-run 'autoreconf -i' after svn check out
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