Re: [Rdkit-discuss] Need help with setting up the RDkit in Ubuntu

2019-12-08 Thread Francois Berenger

On 09/12/2019 12:24, ITS RDC wrote:

Hi Greg and all RDkit users,

 This is my first time posting in this mailing list because it's my
first time to use RDkit. This is also the first time I work with
Ubuntu OS (I have always been a Windows person) and I already
installed all relevant packages (Anaconda, Spyder3 and RDkit) for both
Windows and Linux. I was able to set up the environment in Windows but
not in Linux. I need help with setting up the RDBASE path and
environment because I could not find any forum discussing the setting
up of the RDBASE environment in Linux. Thank you!


After a fresh checkout of rdkit, you can build deb packages for it and 
install them:


---
git clone https://github.com/rdkit/rdkit.git
cd rdkit
./Scripts/create_deb_packages.sh
sudo dkkg -i build/*.deb
---

Be careful to uninstall any previous installation of rdkit on the system
or they might conflict and you will get strange installation errors.


 --

 Joanna Michelle Chua, RPh
 Isotope Techniques Section
 Nuclear Services Division
 Philippine Nuclear Research Institute
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[Rdkit-discuss] Need help with setting up the RDkit in Ubuntu

2019-12-08 Thread ITS RDC
Hi Greg and all RDkit users,

This is my first time posting in this mailing list because it's my first time 
to use RDkit. This is also the first time I work with Ubuntu OS (I have always 
been a Windows person) and I already installed all relevant packages (Anaconda, 
Spyder3 and RDkit) for both Windows and Linux. I was able to set up the 
environment in Windows but not in Linux. I need help with setting up the RDBASE 
path and environment because I could not find any forum discussing the setting 
up of the RDBASE environment in Linux. Thank you!

--

Joanna Michelle Chua, RPh
Isotope Techniques Section
Nuclear Services Division
Philippine Nuclear Research Institute
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