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Troubles with Installation

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Hi everybody,

I just have read about the UNRES force field and would like to try to simulate some food protein systems. However, I am facing some troubles from the very begninning.

I have a centos x86_64 machine with gnu compiles and openmpi.

I donwloaded unrespack-v.3.2.1.tar.gz

I Create a folder in my home directory and move the file to that folder and uncompressed it
/hom e/Unres/unrespack-v.3.2.1
Inside: Changelog CMakeLists.txt ctest doc examples git-daemon-export-ok INSTALL PARAM source

Then, in the installing instructions said: Create a ’build’ directory in the package source directory.

So, cd source and then mkdir build
cd build
Configure the build system
cmake ..
But I got
The source directory "/home/shv/Unres/unrespack-v.3.2.1/source" does not appear to contain CMakeLists.txt.

Also I tried, in
/home/Unres/unrespack-v.3.2.1/source/unres/src_MD
mkdir build
cd build
cmake ..
But I got,
CMake Error at CMakeLists.txt:238 (TODAY): Unknown CMake command "TODAY".

I do not how to proceed. Any idea or suggestion would be greatly appreciated

Salvador

Hi,

download newer version using git, it should compile on centos without any problems:

git clone http://mmka.chem.univ.gda.pl/repo/unres.git
cd unres
git checkout prerelease-3.2.1
mkdir build
cd build
cmake
make

on centos I have tested only gfortran with mpich-3.0.4-8.el7.x86_64 and

module load mpi

was necessary before cmake, but openmpi should also work

Cezary Czaplewski