Re: [Rdkit-discuss] anaconda and virtualenv

2019-03-18 Thread Jerry Zhang
Thanks. I also think it is better to switch to Anaconda. I am still new to Anaconda. Does it have pip3? I tried to install pip in my Anaconda virtual environment. However, when I typed "which pip3", it still points to a local version. It should point to the version in the Anaconda virtual environme

Re: [Rdkit-discuss] anaconda and virtualenv

2019-03-18 Thread Matthew Swain via Rdkit-discuss
Hi Tom, If you are using Anaconda, I would recommend just using conda environments for this: https://docs.conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html It is very tricky to get RDKit to work with virtualenv, but really easy with conda environments. Matt On Mar

Re: [Rdkit-discuss] anaconda and virtualenv

2019-03-18 Thread Malgorzata Werner
ommunication is strictly prohibited. If you are not the intended recipient, please contact the sender by reply mail and destroy all copies of the original message. From: Tom Zhang Sent: 18 March 2019 07:13:25 To: RDKit Discuss Subject: [Rdkit-discuss] anaconda and virtualenv Hi, all, I am in a

[Rdkit-discuss] anaconda and virtualenv

2019-03-17 Thread Tom Zhang
Hi, all, I am in a conflicting situation now between anaconda and virtualenv. I used anaconda to install Rdkit and it works great. However, I also have a lot of other python3 code and I use virtualenv for that. Now, my python3 code in virtualenv has to talk with Rdkit. What is the best solution he