Methods of Enzymology Volume 687

The installers are the CPU builds for macOS and Windows. The linux installer is a GPU build for the NVIDIA Ampere architecture (you will need CUDA 11).

To install on unix (.sh installers), run

bash <installer> -b -p <installation directory>

The <installation directory> is where the program will reside. The -b flag sets the installation to batch mode. This skips any interactive prompts during the installation process. Then update your $PATH to add the bin directory.
For bash

export PATH=<installation directory>/bin:${PATH}

and for csh

setenv PATH <installation directory>/bin:${PATH}

To use the GPU for simtbx.sim_view, you must set DIFFBRAGG_USE_KOKKOS=1 in your environment. For bash, the command would be

export DIFFBRAGG_USE_KOKKOS=1

and for csh, the command would be

setenv DIFFBRAGG_USE_KOKKOS 1

Erice 2022 Workshop

The installers for the Erice 2022 Workshop

The Apple Silicon and Windows installers do not have dependencies for molecular dynamics.

The sha256 hashes for the installer files are shown below. If you have issues running the installer, please check the hash to make sure your download is correct. On linux and macOS, you can run

shasum -a 256 <installer>

Alternatively, you can copy the sha256 checksums listed below into a file (e.g. sha256.sum) and run

shasum -a 256 -c sha256.sum

in the same directory as the installers you have downloaded. You will get warnings for installers that you have not downloaded.

On Windows, the command is

certutil -hashfile <installer> sha256

sha256 checksums

14f7ea38078f2fb47bd761c64e06bb6bc5942c60af7cd0e3ee835ddcfb7d0cb6  cctbx.xfel-2022.6.1-Linux-x86_64.sh
6c772405701d64c039176f5bc75b5474b6625aa3a6d88943839141ac06f8d4f7  cctbx.xfel-2022.6.1-MacOSX-arm64.sh
40c63a4171d4e6dbb278b7e5ced2c1c0e41c807ba1e414b4d045a494525f50ae  cctbx.xfel-2022.6.1-MacOSX-x86_64.sh
a1cdefbb479e39dd0b3dde192640493f6df25ab6d03977785815391c662fcd9e  cctbx.xfel-2022.6.1-Windows-x86_64.exe