Building packages with yes-all

[pacoalarcon13]

Dear community

We have found an issue with the installation using make package-yes-all, make mpi does not work if you try to install all the packages with yes-all.
OS: Linux-Ubuntu 20.04.4 LTS (GNU/Linux 5.13.0-40-generic x86_64)
Lammps version: 29Sep2021

Any idea as to why this happens?
It works if you install just particular packages, the problems arises when try to install all of them with yes-all.

In collaboration with my student Ramon Castañeda-Cerdan
Cheers

[simongravelle]

Hi,

Using make yes-all is known to be a risky move, its better to install only the package you need, see for instance :

[lammps-users] Package error

Dear Lammps users, I just now installed the new stable version -LAMMPS (29 Sep 2021) for brownian dynamics simulation:. $ ./lmp_serial < chromatinfinal2.in ERROR: Unrecognized atom style ‘full’ is part of the MOLECULE package which is not enabled in this LAMMPS binary. (…/atom.cpp:740) Last command: atom_style full I used “make” for installation of this stable version. For the above error, I found the answer both from the mailing list and the documentation : " If you get a run-time error t…

Best,
Simon

[akohlmey]

@pacoalarcon13

Any idea as to why this happens?,package>

Some packages have prerequisites and and depend on other software being installed, environment variables being set, files in lib/<package> copied and/or edited, libraries in lib/<package> compiled or similar things. All of this must be done before doing make yes-all.
There are detailed explanations. If you want to compile a version of LAMMPS that has only “safe” packages installed, do “make yes-most”.

We generally recommend to use CMake instead of the GNU make procedure if people are not very experienced with all the steps I mentioned before, since it does most of the steps during CMake configuration and then there is only one compilation for everything. You can still have package selections preset by loading a preset like cmake/presets/most.cmake

[akohlmey]

@simongravelle

make yes-all is known to be a risky move

Incidentally, I just had a meeting with the core LAMMPS developers where we decided to remove the “make yes-all” option (it made much more sense when it was added a long time ago) and the corresponding preset. That should just take away the temptation. “most” or “basic” are the sensible choices for most people.