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Download a Sire Binary

Linux (all distributions)

A self-extracting binary that can run on most Linux distributions that were released after 2011 can be downloaded here. Note this will only run on X86-64 processors that have AVX support (i.e. nearly all Intel and AMD processors released after 2011).

sire_2020_1_0_linux.run : 2020.1.0 release compiled for Linux [1007 MB]

MD5Sum = 4f96e18c29d8970d9cda3e5f0dce3d16

You can also download the latest nightly development binary of Sire. This is a compiled binary of the latest version of the Sire devel branch in GitHub.

sire_devel_latest_linux.run : Latest devel version, compiled for Linux [~1000 MB]

OS X (Mac)

A self-extracting binary that can run on macOS 10.14 (Mojave, released 2018) and above can be downloaded here. Note that this will only run on X86-64 processors that have AVX support (i.e. nearly all Intel and AMD processors released after 2011)

sire_2020_1_0_osx.run : 2020.1.0 release compiled for OS X [725 MB]

MD5Sum = acfaf3995245c32eb964655566e8e971

You can also download the latest nightly development binary of Sire. This is a compiled binary of the latest version of the Sire devel branch in GitHub.

sire_devel_latest_osx.run : Latest devel version, compiled for OS X [~600 MB]

Windows

sire_2018_1_0_win64.zip : 2018.1.0 release compiled for 64bit Windows (7 or above) [568 MB]

MD5Sum = f49f7cf8d5d8f5a0f9eb9583937bcb6a

An experimental Windows binary that should run on 64bit Windows 7 or above. This is distributed as a zip file that must be unpacked in the C: drive (see instructions below).

(note that the bug fixes in 2018.1.1 do not affect the windows version)

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 2019.3.0

sire_2019_3_0_linux.run : 2019.3.0 release compiled for Linux [959 MB]

MD5Sum = c016e7e173afe211f822adae7ced66bf

sire_2019_3_0_osx.run : 2019.3.0 release compiled for OS X [534 MB]

MD5Sum = 68f0d09fca91a8fa006a58dc2a743cf4

Sire 2019.2.1

sire_2019_2_1_linux.run : 2019.2.1 release compiled for Linux [959 MB]

MD5Sum = 37a2972a0ff817734dbd4845d6cb302c

sire_2019_2_1_osx.run : 2019.2.1 release compiled for OS X [534 MB]

MD5Sum = cc397ce110a1c2de95e6103535c48a22

Sire 2019.2.0

sire_2019_2_0_linux.run : 2019.2.0 release compiled for Linux [967 MB]

MD5Sum = 6b750a131b89205048029538c510d78c

sire_2019_2_0_osx.run : 2019.2.0 release compiled for OS X [541 MB]

MD5Sum = e5f4bb3dc6ce91f46932a89e1969e8b8

Sire 2019.1.0

sire_2019_1_0_linux.run : 2019.1.0 release compiled for Linux [949 MB]

MD5Sum = b40592ec9b430dd4b9c0a58981fd7059

sire_2019_1_0_osx.run : 2019.1.0 release compiled for OS X [597 MB]

MD5Sum = e7ceddf08b182907b49108363f60c2a1

Sire 2018.1.1

sire_2018_1_1_linux.run : 2018.1.1 release compiled for Linux [716 MB]

MD5Sum = 410f9ee840ba2c01714126e063fc3fb9

sire_2018_1_1_osx.run : 2018.1.1 release compiled for OS X [654 MB]

MD5Sum = 14f847566157c45b2bd777bde5007e22

Sire 2018.1.0

sire_2018_1_0_linux.run : 2018.1.0 release compiled for Linux [981 MB]

MD5Sum = b3c8a0b59de71c0612e4b0ee0e6e5de0

sire_2018_1_0_osx.run : 2018.1.0 release compiled for OS X [940 MB]

MD5Sum = b071492cf9663e2a79682a29bc0ccd42

### Sire 2017.3.0

sire_2017_3_0_linux.run : 2017.3.0 release compiled for Linux [951 MB]

MD5Sum = 501d277c81336bd8d991c1b7e03fbafb

sire_2017_3_0_osx.run : 2017.3.0 release compiled for OS X [770 MB]

MD5Sum = 7c7b696c18445a39f17060e32532d958

Sire 2017.1.0

Sire 16.3.1

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