search

isayev / ASE_ANI

ANI-1 neural net potential with python interface (ASE)
MIT License
220 stars 56 forks source link

install script #42

Open UnixJunkie opened 11 months ago

UnixJunkie commented 11 months ago

It would be nice to have a way to automatically install all requirements and dependencies.

UnixJunkie commented 11 months ago

Some content for it:

sudo apt install libnvidia-compute nvidia-compute-utils
pip3 install --upgrade --user ase
UnixJunkie commented 11 months ago 
wget https://sourceforge.net/projects/boost/files/boost/1.63.0/boost_1_63_0.tar.bz2
tar xjf boost_1_63_0.tar.bz2
cd boost_1_63_0
./b2 -j `getconf _NPROCESSORS_ONLN`
UnixJunkie commented 11 months ago

https://developer.nvidia.com/cuda-92-download-archive