Installing Molflow on Debian-based Linux

2018-10-09 16_05_08-ubuntu [Running] - Oracle VM VirtualBox.png

Build from source (2.9+)

You can now also build MolFlow+ from source, which should work on most Linux distribution. See build instructions in the Gitlab repo.

Install using binaries

Molflow only runs on 64-bit Linux versions. You need to use the terminal to...

  1. Install dependencies
  2. Make binaries executable
  3. Run Molflow

For example, on Ubuntu LTS 22.04, the following is required:

  1. Download and extract Molflow and open a Terminal in the directory where you extracted it
  2. Add the universe repository to the apt package manager (probably you'll get a message that it's already added): sudo add-apt-repository universe
  3. Install the SDL2 framework, the GNU Scientific Library and the cblas packages:
    sudo apt install libsdl2-2.0 gsl-bin libatlas-base-dev p7zip
    2.9 versions might also require libgomp1, libopengl0 and libopengl-dev
  4. Make the three binaries in Molflow's folder executable:
    chmod +x molflow molflowSub compress
    On versions 2.7, there was no molflowCLI and on 2.8, molflowCLI was called molflowSub
  5. Run Molflow: ./molflow

For Mint Linux, a user reported that the required install command is: sudo apt install libsdl2-2.0-0 gsl-bin libatlas-base-dev p7zip libopengl0

For other Linux versions, the complete list of dependencies (with the apt package name in parentheses) is:

  • GTK+3.0 (libgtk-3-bin)
  • OpenGL (freeglut3-dev, mesa-utils, libopengl0)
  • SDL2 (libsdl2-2.0)
  • libpng (libpng)
  • GNU Scientific Library (gsl-bin)
  • cblas (libatlas-base-dev)
  • Curl (curl)
  • X11 (xauth, xorg, openbox)
  • OpenMP (libgomp1) (from 2.9)

I'm happy if you report back errors or failures of the above instructions.