Download & Installation
Browndye runs on several operating systems regardless of the machine type. The main ones are: Linux, BSD, MacOS, and MS Windows. There are also Docker and Singularity container images available for running Browndye in Docker and on HPC/XSEDE computational clusters.
Browndye2 should be considered a beta release since there may still be "surprises" lurking.
Please subscribe to the Browndye mailing list to receive updates about the software and ask for help.
The preferred way to install Browndye is to download the source code and a compile it. Browndye requires Ocaml and C++ compilers. Please note that the C++17 version of C++ is now required.
You can download the latest Browndye2 release from here. List of Fixes and Updates.
You can then proceed to compile it:
tar xvfz browndye2.tar.gz cd browndye2 make -j 4 all
More information is available in the README file.
The development version of Browndye can be accessed on bitbucket.
Note: The following are package dependencies necessary for compilation of Browndye on different Linux distributions.
apt-get install make gcc g++ ocaml libexpat-dev liblapack-dev apbs
The GCC/G++ compilers in CentOS 7 are too old for Browndye to compile so it is necessary to install SCL and devtoolset-9 to update the compilers. The SCL needs to be enabled before compilation.
yum install centos-release-scl epel-release yum install devtoolset-9 ocaml expat-devel lapack-devel apbs scl enable devtoolset-9 bash
dnf group install "Development Tools" dnf install ocaml expat-devel lapack-devel
We also provide pre-compiled binary packages for
Redhat/CentOS and Ubuntu distributions. This package can be
installed either in user directories or in a central
location (like /opt). After unpacking make sure you
add installation_location/browndye2/bin to
your $PATH. For example if installing
in /opt add the path like this: export
PATH=/opt/browndye2/bin:${PATH}
.
Precompiled binary for Ubuntu 20.04 (2023-12-30):
browndye2-ubuntu-20.04.tar.gz
(MD5 checksum: 2a6efb815ef58cc10f925b17d6de039a)
Make sure you have the following dependencies installed:
apt-get install libexpat1 make apbs liblapack-dev
Precompiled binary for Ubuntu 22.04 (2023-12-30):
browndye2-ubuntu-22.04.tar.gz
(MD5 checksum: ead274864b3af0e2a978a1121694e11b)
Make sure you have the following dependencies installed:
apt-get install libexpat1 make apbs liblapack-dev
Precompiled binary for CentOS 7 (2023-12-30):
browndye2-centos-7.tar.gz
(MD5 checksum: e539a5aa85a29cb20cb6aa3ed7ccacb2)
Make sure you have the following dependencies installed:
yum install epel-release yum install make lapack apbs
Precompiled binary for RockyLinux/AlmaLinux 8 (2023-12-30):
browndye2-almalinux-8.tar.gz
(MD5 checksum: 4ff8fb84dae297c136bf3162b8c0f59c)
Make sure you have the following dependencies installed:
dnf install make lapack
The simplest way to install Browndye2 on Windows 10 is to install the Windows Subsystem for Linux (WSL) and Ubuntu 20.04 image. Then download the precompiled Ubuntu 20.04 Browndye binaries available above and unpack them in your directory.
Another option is to install the Cygwin environment and compiled Browndye by yourself.
A pre-built Docker container is available on docker.io. See README for more information on how to use it.
A pre-built Singularity container is available on the Singularity Hub and can be easily deployed on XSEDE HPC resources. See README for more information on how to use it.
The COFFDROP force-field file, as zipped XML, is here .
The mapping from atoms to beads is here .
The file describing bond connectivity is here .
The charges on the beads is here .
The Browndye version 1 source code can be downloaded from here.
The compilation instructions are in README file and see this list for Fixes and Updates.