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</pre> | </pre> | ||
== | == Install TIN == | ||
<pre> | |||
<p>First you need to be a root </p> | |||
sh /nfs/home/chinzo/code/installation-utilities/install-postgres12.sh / | |||
<pre>sudo -i</pre> | |||
sh /nfs/home/chinzo/code/installation-utilities/postgres-config.sh | |||
</pre> | <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]] | ||
[[Category:Tin]] | |||
Latest revision as of 19:39, 18 June 2024
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