Re: [rDock-list-def] compiling with newer compilers

[Peter S. <pet...@di...>]

Cool! thanks a lot!!

Peter

________________________________
From: Sergio Ruiz <sru...@gm...>
Sent: Thursday, November 4, 2021 02:58
To: Peter Schmidtke <pet...@di...>
Cc: rdo...@li... <rdo...@li...>
Subject: Re: [rDock-list-def] compiling with newer compilers

Hi Peter,

I encountered the same frustrating error a while ago when also trying to compile with newer compilers.
I spent some time finding a solution and you can find it here:

https://github.com/CBDD/rDock/tree/dev-2021

I have not had the time to properly validate it (that's why it's not been merged to the main branch) but it has been compiling and running for me with no issues and same results as the "older" compiler version.
Let me know if it does not work for you!
Best,

Sergi

---------- Forwarded message ----------
From: Peter Schmidtke <pet...@di...<mailto:pet...@di...>>
To: "rdo...@li...<mailto:rdo...@li...>" <rdo...@li...<mailto:rdo...@li...>>
Cc:
Bcc:
Date: Wed, 3 Nov 2021 14:06:29 +0000
Subject: compiling with newer compilers
Hi all,

I'm currently trying to make the necessary changes to be able to compile rdock with newer compilers.

First of all the basic make thing doesn"t seem to work (in srcforge & github repo), but found my way around that for now.
I have this error on execution:

RBT_FILE_MISSING_PARAMETER at ../src/lib/RbtParameterFileSource.cxx, line 84
GLU:: parameter not found in /rDock_2013.1_src/data/sf/RbtIonicAtoms.prm

on this command line:

/rDock_2013.1_src/build/test/RBT_HOME# rbcavity -r 1YET.prm
***********************************************
The rDock program is licensed under GNU-LGPLv3.0. http://rdock.sourceforge.net/
Executable:     rbcavity ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbcavity.cxx#3 $)
Library:        libRbt.so/2013.1/901 2013/11/27
RBT_ROOT:       /rDock_2013.1_src
RBT_HOME:       /root
Current dir:    /rDock_2013.1_src/build/test/RBT_HOME
Date:           Wed Nov  3 13:53:44 2021
***********************************************

Command line arguments:
-r 1YET.prm


I looked like a env variable misconfiguration to me, but checked vs working envs and there's no difference.

Did anybody experience this issue before?

Cheers

Peter