Re: [Rdkit-discuss] Cannot import rdBase after installed rdkit by source in a non-administrator linux cluster

2017-03-29 Thread Gianluca Sforna
On Wed, Mar 29, 2017 at 12:03 AM, wrote: > I tried installing rdkit using conda install -c rdkit rdkit into the > latest Anaconda2 in a RHEL5 linux cluster I have limited control over. > ​Slightly OT, I just would like to point out that RHEL 5 is going to end ​its regular

Re: [Rdkit-discuss] Cannot import rdBase after installed rdkit by source in a non-administrator linux cluster

2017-03-29 Thread Hongbin Yang
Hi, Greg,     Thanks for your suggestion. However, I cannot install it correctly by "original conda" as suggested in document. > `conda create -c rdkit -n hbyang-rdkit-env rdkit`>   The same error occured >just like what I installed from

Re: [Rdkit-discuss] Cannot import rdBase after installed rdkit by source in a non-administrator linux cluster

2017-03-29 Thread Greg Landrum
A first thing that's important to know and that may make all of this easier: You can install the rdkit using conda even if you don't have write access to the directory where anaconda python is installed. If you follow the directions in the documentation and create an environment to use the RDKit

Re: [Rdkit-discuss] Cannot import rdBase after installed rdkit by source in a non-administrator linux cluster

2017-03-28 Thread Hongbin Yang
Hi, Andrew,     I did set the LD_LIBRARY_PATH and added the $conda/lib in it.        Today, I tried installing a new boost (1.60.0) myself with the following commands:```./bootstrap.sh ./b2 install ```        Interestingly, I colud not `make` successfully this time, with the several

Re: [Rdkit-discuss] Cannot import rdBase after installed rdkit by source in a non-administrator linux cluster

2017-03-28 Thread jon
I tried installing rdkit using conda install -c rdkit rdkit into the latest Anaconda2 in a RHEL5 linux cluster I have limited control over. I see exactly the same error when I try 'from rdkit import Chem.' I am running the same release of Anaconda2 on my PC and all is fine. If it is an

Re: [Rdkit-discuss] Cannot import rdBase after installed rdkit by source in a non-administrator linux cluster

2017-03-28 Thread Andrew Dalke
On Mar 28, 2017, at 17:56, 杨弘宾 wrote: > Have you tried install rdkit from source? It's ok when I installed rdkit > by conda in my PC. But when I tried installing it in a server in which I am > only a user who cannot use "sudo" and the "python" is in a read-only >