[Rdkit-discuss] ctest failed while trying to build the rdkit from source

Hi, I am trying to build the rdkit from source on a fresh new ubuntu18.04 virutal machine with virtual box (I did sudo apt update; sudo apt upgrade; etc.). I successfully executed "sudo cmake ..", "sudo make", "sudo make install" commands, but the sudo ctest gave me only 29% tests passed (I

Re: [Rdkit-discuss] ctest failed while trying to build the rdkit from source

-run ctest. Cheers, p. On 01/24/19 20:48, Xuan Cao wrote: Sorry, forgot to attach the file From: Xuan Cao <mailto:danis@hotmail.com> Sent: January 24, 2019 13:44 To: rdkit-discuss@lists.sourceforge.net<mailto:rdkit-discuss@lists.sourceforge.net

Re: [Rdkit-discuss] ctest failed while trying to build the rdkit from source

Sorry, forgot to attach the file From: Xuan Cao Sent: January 24, 2019 13:44 To: rdkit-discuss@lists.sourceforge.net Subject: [Rdkit-discuss] ctest failed while trying to build the rdkit from source Hi, I am trying to build the rdkit from source on a fresh new

[Rdkit-discuss] Does RDKit Java have the functionality for calculating the 3D descriptors?

Hi, I am using the RDKit in java. I found that 2D descriptors can be calculated through the RDKFuncs.class, but I couldn't find the 3D descriptors. Thanks for help! Xuan ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net

Re: [Rdkit-discuss] ctest failed while trying to build the rdkit from source

build, etc.? Thank you! Xuan From: Greg Landrum Sent: January 24, 2019 20:52 To: Xuan Cao Cc: Paolo Tosco; rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] ctest failed while trying to build the rdkit from source Hi, Please include the error messages you see

Re: [Rdkit-discuss] ctest failed while trying to build the rdkit from source

: and : /opt/rdkit-Release_2018_09_1:/usr/lib/python3.6: ) Did I do something wrong? Thank you! Xuan From: Greg Landrum Sent: January 25, 2019 9:30 To: Xuan Cao Cc: rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] ctest failed while trying