This guidance is tested on Linux Ubuntu 18.04 with NVIDIA GPU/driver installed.
Please refer to https://www.anaconda.com/
.
You can follow unofficial Anaconda installations for Dummies for a test installation.
However, it is highly recommended to refer to official websites.
Logout & login to load installations.
$ conda create --name chem-iupac-app-01 python=3.7
$ source activate chem-iupac-app-01
$ sudo apt-get install gcc libxrender1 libxext-dev pkg-config
$ conda install -c rdkit rdkit=2020.09.1.0
$ conda install -c conda-forge jpype1
# install pytorch CPU version
# here is an example for Linux, conda, python, CPU (not CUDA)
$ conda install pytorch torchvision torchaudio cpuonly -c pytorch
# install fairseq
$ pip install fairseq==0.10.1 sacremoses==0.0.43 subword-nmt==0.3.7 Flask==1.1.2
Java is required for opsin.
$ sudo apt install openjdk-11-jre-headless
$ bash install_script.sh
# run on the production server
$ gunicorn -w 4 -b 0.0.0.0:7107 server:app --daemon
# for local development only
$ export FLASK_APP=chem_iupac && export FLASK_ENV=development && flask run --host=0.0.0.0 --port=7107