Tin jji

From DISI
Revision as of 15:27, 6 April 2020 by Chinzo (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

load tin

 
su - xyz
bash
cd /nfs/ex9/work/xyz/tin01
source /mnt/nfs/home/devtest/anaconda3/bin/activate
conda activate /nfs/soft/www/apps/tin01/envs/development
source /nfs/soft/mitools/env.sh
export TIN_HOST="n-5-35"
You can also change the port (default port is 5432)
export TIN_PORT="5432"
zincload-catalog.sh --name mce --skip-depletion H28P03.00.smi

Install TIN

First you need to be a root

sudo -i

# Please replace the code with square brackets []


1. Python 3.6.7 installation script

/nfs/home/chinzo/code/installation-utilities/install-python36.sh

2. PostgreSQL12 installation script

# Please replace /local2. This is your postgres data directory

# In this case script will create a data directory in this directory. For example: /local2/psql/12/data

sh /nfs/home/chinzo/code/installation-utilities/install-postgres12.sh [/local2]


3. RDKIT cartridge installation

# You need to specify rdkit and python directory.

# /opt/rdkit is directory that you are willing to install rdkit

# /opt/python/3.6.7 is directory that you have already installed it

/nfs/home/chinzo/code/installation-utilities/install-rdkit.sh [/opt/rdkit] [/opt/python/3.6.7]


4. PostgreSQL12 configuration for TIN

sh /nfs/home/chinzo/code/installation-utilities/postgres-config.sh