This section describes in details the procedure to install the OpenSMOKE++ Suite on your machine.

2.1 List of supported operating systems

Microsoft Windows family

  • Microsoft Windows 10 (32/64 bit)
  • Microsoft Windows 8 (32/64 bit)
  • Microsoft Windows 7 (32/64 bit)
  • Microsoft Windows XP (32/64 bit)

Linux family

  • OpenSuse 13 (64 bit)
  • Fedora 21 (64 bit)
  • Ubuntu 12.04 (64 bit) and higher
  • Xubuntu 12.04 (64 bit) and higher

Mac OS X

  • Mac OS X 10.8 (64 bit) and higher

If your operating system does not appear in the list reported above, we suggest to install an Oracle VirtualBox (https://www.virtualbox.org) running Ubuntu 14.04 or higher (http://www.ubuntu.com).

2.2 Microsoft Windows

Pre-requisites for the graphical post-processor:

2.2.1 Installation of solvers

In order to install the OpenSMOKE++ Suite, double-click on the msi file. If you want to replace the existing version of OpenSMOKE++ Suite with a newer version, before proceeding with the new installation, we recommend to uninstall the previous version through the Control Panel -> Add/Remove Programs utility available in Microsoft Windows.

2.2.1.1 Manually setting the environment variables

Once you installed the software, the environment variables should be automatically updated. In case you experience problems in running the code, you have to manually update the environment variables according to the following procedure:

1. From the Start button, select Computer, right-click on it and select Properties

2. Click the Advanced System Settings link in the left column.

3. In the System Properties window, click on the Environment Variables button near the bottom of that tab.

4. In the Environment Variables window, create a new variable with name OPENSMOKEPP_EXE_FOLDER in the User variables section and click the Edit button. This variable has to point to the bin folder of your OpenSMOKE++ Suite installation. Of course the path depends on your system (i.e. on the location where you installed the OpenSMOKE++ Suite). As an example, if you installed the OpenSMOKE++ Suite in C:\OpenSMOKE++ Suite folder, the following string should be assigned to the OPENSMOKEPP_EXE_FOLDER:

C:\OpenSMOKE++ Suite\bin;

2.2.2 Installation of license file

The solvers belonging to OpenSMOKE++ Suite can be used only if a suitable license file (called license.dat) is available. The license.dat file must be present in the bin folder.

2.2.3 Notes about the OpenSMOKE++ Graphical Post-Processor

In order to use all the features of the graphical post-processor, the installation of Graphviz and Irfanview is strongly recommended. Without them, you cannot perform automatic generation of flux diagrams. However, all the other features of graphical post-processor work correctly even without Graphviz and Irfanview.

Instructions to install Graphviz

In order to create the flux analysis plots, Graphviz must be installed on your machine. You can download it from http://www.graphviz.org. Once you installed the software, you need to update the environment variables using the following procedure (already described above):

1. From the Start button, select Computer, right-click on it and select Properties

2. Click the Advanced System Settings link in the left column.

3. In the System Properties window, click on the Environment Variables button near the bottom of that tab.

4. In the Environment Variables window, highlight the PATH variable in the User variables section and click the Edit button. Add or modify the path lines with the paths you want the computer to access. Each different directory is separated with a semicolon. In particular, modify the PATH variable by adding the path to the bin folder contained in the main Graphviz folder. Of course the path depends on your system (i.e. on the location where you installed the Graphviz library). As an example, if you installed the GraphViz library in “C:\Program Files (x86)\Graphviz2.38” folder, the following string should be appended to the PATH variable:

C:\Program Files (x86)\Graphviz2.38\bin;

Instructions to install Irfanview

In order to automatically visualize the flux analysis plots, the Irfanview viewer must be installed on your machine. You can download it from http://www.irfanview.com. Once you installed the software, you need to update the environment variables using the following procedure (already described above):

1. From the Start button, select Computer, right-click on it and select Properties

2. Click the Advanced System Settings link in the left column.

3. In the System Properties window, click on the Environment Variables button near the bottom of that tab.

4. In the Environment Variables window, highlight the PATH variable in the User variables section and click the Edit button. Add or modify the path lines with the paths you want the computer to access. Each different directory is separated with a semicolon. In particular, modify the PATH variable by adding the path to the main Irfanview folder. Of course the path depends on your system (i.e. on the location where you installed IrfanView). As an example, if you installed Irfanview in “C:\Program Files (x86)\IrfanView” folder, the following string should be appended to the PATH variable:

C:\Program Files (x86)\IrfanView;

2.3 Linux

Pre-requisites for OpenSMOKE++ Suite Solvers:

Pre-requisites for the graphical post-processor:

2.3.1 Installation of solvers

1. Be sure that gfortran libraries are available on your machine. If not, you can easily find precompiled packages for the most common Linux distributions (see below).

2. Unpack the opensmoke++suite-0.9.0.tar.gz file in the location you prefer using the following command:

tar -xzf opensmoke++suite-0.9.0.tar.gz

3. Update the environment variable settings:

(a) if running bash or ksh (if in doubt type: echo $SHELL):

edit your $HOME/.bashrc file by adding the following lines:

export PATH=$PATH:/path_to_opensmoke_suite/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/path_to_opensmoke_suite/lib

(b) if running tcsh or csh:

edit your $HOME/.cshrc file by adding the following lines:

setenv PATH $PATH\:/path_to_opensmoke_suite/bin
setenv LD_LIBRARY_PATH $LD_LIBRARY_PATH\:/path_to_opensmoke_suite/lib

As an example, if you unpacked the opensmoke++suite-0.9.0.tar.gz file directly in your home folder ($HOME), the following lines have to be added (in case of bash):

export PATH=$PATH:$HOME/opensmoke++suite-0.9.0/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/opensmoke++suite-0.9.0/lib

4. Close the terminal and open a new terminal (or source the updated $HOME/.bashrc or $HOME/.cshrc).

2.3.2 Installation of license file

The OpenSMOKE++ Suite solvers can be used only if a suitable license file (called license.dat) is available. The license.dat file must be present in the bin folder.

2.3.3 Notes about the OpenSMOKE++ Graphical Post-Processor

In order to use all the features of the graphical post-processor, the QT5 libraries are needed. Moreover, the installation of Graphviz (even if not strictly needed) is strongly recommended. Without it, you cannot perform automatic generation of flux diagrams. However, all the other features of graphical post-processor work correctly, even without Graphviz.

Instructions to install the QT5 libraries

Precompiled QT5 libraries are already available in most Linux distributions (e.g. Ubuntu, Xubuntu, Debian, Mandriva), which means that you do not have to install them. Thus, the instructions below refer to Linux distributions which are distributed without QT5 libraries.

1. Installation of pre-compiled libraries (recommended)

Even if not available in the basic distribution, precompiled QT5 libraries available for most Linux distributions. Please, follow the instructions specific to the distribution you are using.

2. Compilation from source code

If no pre-compiled libraries are available for your Linux distribution, you need to compile the source code. You can download it from https://www.qt.io/download-open-source. Please, follow the instructions provided in the source code to compile and install the library. Be sure that the LD_LIBRARY_PATH environment variable includes the lib folder of installed QT5 library.

Instructions to install the Graphviz library

In order to create the flux analysis plots, Graphviz must be installed on your machine. Two options are possible: installation of pre-compiled binaries (if available for your Linux distribution) or compilation from source code.

1. Installation of pre-compiled binaries (recommended)

If available for your Linux distribution, you can simply install the Graphviz library directly from the pre-compiled binaries.

Fedora: The easiest way to install and maintain Graphviz on Fedora is to use yum. To set up yum, download the graphviz-fedora.repo http://www.graphviz.org/graphviz-fedora.repo. Save it (as root) in /etc/yum.repos.d/ Then you can (as root) type:

yum list available 'graphviz*'
yum install 'graphviz*'

OpenSuse: Use the Yast utility to install GraphViz.

Ubuntu and Xubuntu: Type the following command in a terminal:

sudo apt-get install graphviz

2. Compilation from source code

If no pre-compiled binaries are avialble for your Linux distribution, you need to compile the source code. You can download it from http://www.graphviz.org. Please, follow the instructions provided in the source code to compile and install the library. Be sure that the PATH environment variable includes the bin folder of installed GraphViz.

2.3.4 Check your installation

1. Check if installation of solvers was done properly

go to the quick-start\01-adiabatic-batch-reactor folder and run the simulation by typing

./Run.sh

2. Check if installation of graphical post-processor was done properly: from the same folder, type

OpenSMOKEpp_PostProcessor.sh

If error messages about missing shared libraries appear, have a look at the Notes reported below.

2.3.5 Notes about shared libraries

You may experience some issues in running OpenSMOKE++ Suite solvers and/or graphical post processor, especially if you use are not using Ubuntu or Xubuntu. In most cases, the typical errors are about missing shared libraries:

error while loading shared libraries: name_of_library.so

In that cases you need to install the missing library/libraries. In particular, be sure to have the QT5 and gfortran libraries properly installed on your machine.

Here below we reported a list of known issues, together with possible solutions:

Fedora

Error message: error while loading shared libraries: libgfortran.so.x

Solution: su -c 'yum install gcc-gfortran'

OpenSuse

Error message: error while loading shared libraries: libQtGui.so.x

Solution: install libqt5 using Yast

Ubuntu and Xubuntu

Error message: error while loading shared libraries: libgfortran.so.x

Solution: sudo apt-get install libgfortran

Xubuntu

Error message: error while loading shared libraries: libaudio.so.x

Solution: sudo apt-get install libaudio2

2.4 Mac OS X

Pre-requisites for OpenSMOKE++ Suite Solvers:

• gfortran libraries: https://gcc.gnu.org/wiki/GFortranBinaries#MacOS

Pre-requisites for the graphical post-processor:

• Graphiviz: http://www.graphviz.org/Download_macos.php

2.4.1 Installation of solvers

1. Be sure that gfortran libraries are available on your machine. If not, you can download and installed precompiled libraries for your Mac OS X at the following web-address:

https://gcc.gnu.org/wiki/GFortranBinaries#MacOS

2. Unpack the opensmoke++suite-0.9.0-macos.tar.gz file in the location you prefer using the following command:

tar -xzf opensmoke++suite-0.9.0-macos.tar.gz

3. Update the environment variable settings:

edit your $HOME/.bashrc_profile file (or your $HOME/.profile file, depending on your settings) by adding the following line:

export PATH=$PATH:/path_to_opensmoke_suite/bin

As an example, if you unpacked the opensmoke++suite-0.9.0-macos.tar.gz file directly in your home folder ($HOME), the following line has to be added:

export PATH=$PATH:$HOME/opensmoke++suite-0.9.0-macos/bin

4. Close the terminal and open a new terminal (or source the updated $HOME/.bashrc_profile or your $HOME/.profile, depending on your settings)

2.4.2 Installation of license file

The OpenSMOKE++ Suite solvers can be used only if a suitable license file (called license.dat) is available. The license.dat file must be present in the bin folder.

2.4.3 Notes about the OpenSMOKE++ Graphical Post-Processor

In order to use all the features of the graphical post-processor, the installation of Graphviz (even if not strictly needed) is strongly recommended. Without it, you cannot perform automatic generation of flux diagrams. However, all the remaining features of graphical post-processor work correctly even without Graphviz.

Instructions to install Graphviz

Two options are possible: installation of pre-compiled binaries (recommended) or compilation from source code.

1. Installation of pre-compiled binaries (recommended)

Precompiled Graphviz is available at the following web address: http://www.graphviz.org/Download_macos.php. You can install it using the usual installation procedure for Mac OSX.

2. Compilation from source code

The source code can be downloaded from http://www.graphviz.org. Please, follow the instructions provided in the source code to compile and install the library. Be sure that the PATH environment variable includes the bin folder of installed GraphViz.

2.4.4 Check your installation

1. Check if installation of solvers was done properly

go to the quick-start\01-adiabatic-batch-reactor folder and run the simulation by typing

./Run.sh

2. Check if installation of graphical post-processor was done properly

from the same folder, type:

open /path_to_opensmoke_suite/bin/OpenSMOKEpp_PostProcessor.sh.app

As an example, if you installed OpenSMOKE++ in your home directory ($HOME), you can type:

$HOME/opensmoke++suite-0.9.0-macos/bin/OpenSMOKEpp_PostProcessor.sh.app

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