The Web version of GVasp created by Vue and Flask, which can involve in many kinds of tasks as below:
- plot optimization process
- plot electrostatic potential
- plot band structure
- plot density of states
- plot energy barrier
More detailed information about GVasp can see here.
Before install the GVaspWeb
, we strongly recommend you to
install conda
before.
After install conda, create a new environment, e.g. gvasp-web
, and install a python (version=3.9)
, using following
command:
conda create -n gvasp-web python=3.9
-
Use conda (recommend)
We now made a conda package (production process can see here) and uploaded to the Anaconda, so you can also install
GVasp
from it:conda install -c hui_zhou -c conda-forge gvasp
-
Use PyPi
We have made the wheel (production process can see here) and upload to the pypi, you can also install from it:
python -m pip install gvasp
If the download speed is too slow, we suggest you change the pip mirror by modifying the
~/.pip/pip.conf
file.
If you run the gvasp -v
and print version information, then you install the GVasp
successful ~~
GVasp version x.x.x (Linux-5.10.16.3-microsoft-standard-WSL2-x86_64-with-glibc2.35)
- Install nvm (node)
NVM is the most popular NodeJs Management tool, we recommend you to install nodejs with nvm.
Firstly, download the nvm and install it.
curl -o- https://raw.githubusercontent.com/nvm-sh/nvm/v0.39.3/install.sh | bash
Secondly, install node16 with nvm.
nvm install 16.20.1
Finally, use node16 with nvm.
nvm use 16.20.1
- Install Vue
npm install -g @vue/cli
- Install modules
cd frontend
npm install .
- Python >= 3.9
- Cython
- pybind11
- numpy
- matplotlib
- bash-completion
- Vue.js
- Flask
Copyright © 2024 Hui Zhou
All rights reserved.