Installing Amber on Fedora
You will find below generic recommendations for installing Amber22 as well as specific instructions tailored for your Fedora version.
Generic installation instructions
Since Amber20, a new installation mechanism is provided that makes use of
A decent version of
cmake is needed, therefore it is highly recommended to download and
cmake executable from the cmake.org website.
Many programs within Amber requires a decent version of Python.
When configuring Amber, the
run_cmake script will check your installation
and will most probably recommend to download and install a compatible Python
from Continuum IO (via miniconda). It is highly recommended to follow
this suggestion and let the
run_cmake script install Python inside the Amber
Building with cmake
We highly recommend that you refer to Chapter 2 of the Amber 2022 Reference Manual for detailed instructions on how to install Amber22.
Since Amber20, the build system has move to
cmake. A script called
run_cmake is available in the
directory. For most users, the options chosen in this script should be OK.
The installation of Amber is performed in two steps: cmake configuration, then building and install:
# optional: edit the run_cmake script to make any needed changes;
# most users should not need to do this
# Next, build and install the code:
Fedora 30 & 31
The following command should enable the compilation of Amber on Fedora systems:
dnf -y install tcsh make \
gcc gcc-gfortran gcc-c++ \
which flex bison patch bc \
libXt-devel libXext-devel \
perl util-linux wget bzip2 \
If you want to install Amber in parallel, you can use OpenMPI through:
dnf -y install openmpi openmpi-devel environment-modules
module load mpi/openmpi-x86_64