Download a Sire Binary

Linux (all distributions)

A self-extracting binary that can run on (most) 64 bit Linux distributions can be downloaded here. If you want a 32 bit version, or one compiled without AVX enabled, then either compile from source, or . If you are unsure if your system supports AVX have a look at the following output:

cat /proc/cpuinfo | grep avx | head -1

If AVX is in the list the binaries should work for your system.

sire_16_3_1_linux64.run : 2016.3.1 release compiled for 64 bit linux.

OS X (Mac)

A self-extracting binary that can run 64 bit OS X (Mountain Lion and above) is available. If you would like a binary compiled without AVX enabled, or for an older version of OS X, then either compile from source, or .

sire_16_3_1_OSX.run : 2016.3.1 release compiled for 64 bit Mountain Lion or above

Windows

An experimental Windows binary is available that should run on 64bit Windows. This is distributed as a zip file that must be unpacked in the C: drive.

sire_16_3_1_WIN64.zip : 2016.3.1 release compiled for 64 bit Windows

Installation (Linux and Mac)

Once you have downloaded your sire_XXX.run file, simply run it from the command line to unpack and install. Assuming you have downloaded into the current directory, type

chmod a+x ./sire_XXX.run
./sire_XXX.run

This will unpack Sire, and will then ask where you would like it to be installed. By default, Sire will install to a directory called sire.app in your home directory. You can then run the Sire python environment by typing

~/sire.app/bin/python

You can find other Sire executables in this directory, e.g. the waterswap executable. To run waterswap, type

~/sire.app/bin/waterswap

Use the --help option to get more information on how to run each executable, and --description for a full description (same as the apps webpage).

You can also find the sire_test executable that is used for running unit tests to validate the installation. To run sire_test, type

~/sire.app/bin/sire_test

Several sets of tests will be run, and you should see that there are 0 failures. If any tests fail, then please post a bug report on GitHub, together with a description of your system (Linux or Mac, which binary you downloaded, distribution etc.)

If you have any problems, or would like Sire compiled for your distribution, then please get in touch via the Sire users mailing list.

 Installation (Windows)

Unzip the zipfile into your C: directory. This should create C:\sire. You can the included MINGW64 shell by running C:\sire\mingw64.exe. This will give you a command line. From here, you can run Sire applications by calling the Sire python scripts directly. These are located in /mingw64/share/Sire/scripts, i.e.

python3 -u /ming64/share/Sire/scripts/ligandswap.py --help

will run ligandswap, printing out the help text for this application.

Note that this Windows build is experimental, and is not as cleanly packaged as the builds for Linux and OS X. Also, at this time, automatic running of unit tests via sire_tests is not supported. We plan to improve the Windows experience in future versions of Sire.

Older Versions

Older binaries of Sire can be downloaded here. We always recommend using the latest version, and only keep these links in case you want to reproduce an older simulation.

Sire 16.3

Sire 16.2

Sire 16.1

Sire 14.4

Sire 14.3

Sire 14.2

Sire 14.1

Sire 13.2

Sire 13.1