29 lines
547 B
Plaintext
29 lines
547 B
Plaintext
# Compile LAMMPS as shared library
|
|
|
|
git clone https://github.com/lammps/lammps.git
|
|
cd lammps/src
|
|
python Make.py -m mpi -png -s ffmpeg exceptions -a file
|
|
|
|
make -j 4 mode=shlib auto
|
|
cd ../..
|
|
|
|
# Install Python package
|
|
|
|
virtualenv testing
|
|
source testing/bin/activate
|
|
|
|
(testing) cd lammps/python
|
|
(testing) python install.py
|
|
(testing) pip install jupyter matplotlib mpi4py
|
|
|
|
(testing) cd ../../examples
|
|
|
|
# Launch jupter and work inside browser
|
|
|
|
(testing) jupyter notebook
|
|
|
|
# Use Ctrl+c to stop jupyter
|
|
|
|
# finally exit the virtualenv
|
|
(testing) deactivate
|