Difference between revisions of "Tin jji"

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</pre>
 
</pre>
  
== install tin ==
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== Install TIN ==
<pre>
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sh /nfs/home/chinzo/code/installation-utilities/install-python36.sh
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<p>First you need to be a root </p>
sh /nfs/home/chinzo/code/installation-utilities/install-postgres12.sh /local1
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sh /nfs/home/chinzo/code/installation-utilities/install-rdkit.sh /opt/rdkit /opt/python/3.6.7
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<pre>sudo -i</pre>
sh /nfs/home/chinzo/code/installation-utilities/postgres-config.sh
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</pre>
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<p># Please replace the code with square brackets []</p>
 +
 
 +
 
 +
'''1. Python 3.6.7 installation script'''
 +
 
 +
<pre>/nfs/home/chinzo/code/installation-utilities/install-python36.sh</pre>
 +
 
 +
'''2. PostgreSQL12 installation script'''
 +
<p># Please replace /local2. This is your postgres data directory</p>
 +
<p># In this case script will create a data directory in this directory. For example: '''/local2'''/psql/12/data</p>
 +
 
 +
<pre>sh /nfs/home/chinzo/code/installation-utilities/install-postgres12.sh [/local2]</pre>
 +
 
 +
 
 +
'''3. RDKIT cartridge installation'''
 +
 
 +
<p># You need to specify rdkit and python directory.</p>
 +
<p># /opt/rdkit is directory that you are willing to install rdkit</p>
 +
<p># /opt/python/3.6.7 is directory that you have already installed it</p>
 +
 
 +
<pre>/nfs/home/chinzo/code/installation-utilities/install-rdkit.sh [/opt/rdkit] [/opt/python/3.6.7]</pre>
 +
 
 +
 
 +
'''4. PostgreSQL12 configuration for TIN''' 
 +
<pre>sh /nfs/home/chinzo/code/installation-utilities/postgres-config.sh</pre>
 +
 
  
 
[[Category:Internal]]
 
[[Category:Internal]]

Latest revision as of 15:27, 6 April 2020

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