I am trying to install lammps on my iMac using the homebrew option. Everything works fine with the standard install. However, when I try to install lammps with the user-packages, it completely ignores the option.
Specifically, I need the user-netcdf package (I already have the netcdf libraries installed). I guess the mpi option is redundant as it installs the parallel version without the “–with-mpi” option. However, it ignores the “–enable-user-netcdf” option.
Any help would be greatly appreciated.
Thanks,
Venkat
(LAMMPS user since 2007)
Please see below:
brew install lammps --HEAD --with-mpi --enable-user-netcdf
==> Installing lammps from homebrew/science
Warning: homebrew/science/lammps: this formula has no --enable-user-netcdf option so it will be ignored!
Warning: homebrew/science/lammps: this formula has no --with-mpi option so it will be ignored!
==> Using Homebrew-provided fortran compiler.
This may be changed by setting the FC environment variable.
==> Cloning http://git.icms.temple.edu/lammps-ro.git
==> Checking out branch master
==> make -f Makefile.gfortran
==> make -f Makefile.gfortran
==> make -f Makefile.g++
==> make yes-standard
==> make no-gpu
==> make no-kim
==> make no-user-omp
==> make no-kokkos
==> make no-mscg
==> make mac
==> make mac mode=shlib
==> python install.py /usr/local/Cellar/lammps/HEAD-78533e2_1/lib/python2.7/site
Warning: homebrew/science/lammps dependency gcc was built with a different C++ standard
library (libstdc++ from clang). This may cause problems at runtime.
==> Caveats
You should run a benchmark test or two. There are plenty available.
cd /usr/local/share/lammps/bench
lammps -in in.lj
with mpi
mpiexec -n 2 lammps -in in.lj
The following directories could come in handy
Documentation:
/usr/local/share/lammps/doc/Manual.html
Potential files:
/usr/local/share/lammps/potentials
Python examples:
/usr/local/share/lammps/python-examples
Additional tools (may require manual installation):
/usr/local/share/lammps/tools
To use the Python module with Python, you may need to amend your
PYTHONPATH like:
export PYTHONPATH=/usr/local/lib/python2.7/site-packages:$PYTHONPATH
==> Summary
/usr/local/Cellar/lammps/HEAD-78533e2_1: 4,062 files, 215.7MB, built in 6 minutes 34 seconds