Re: [AMBER] Amber20 Installation run_cmake problem

From: Manuel Fernandez Merino <manuel.fernandez.crg.eu>
Date: Thu, 3 Feb 2022 14:05:12 +0000

Hello David,

Thanks for the info. I will just ignore the distutils_hack for now. Regarding my Linux distribution. I'm actually running Amber on Scientific Linux 7.2, so it makes sense that the readline issues are just as the reported for RHEL7. I found the post you told me about and tried the patch. Indeed, run_cmake worked successfully! Moreover, none of the warnings that Michael Coleman commented when using the patch arose. The installation and testing steps also seemed mostly fine (excepting in some tests, the __distutils_hack reappeared).

I will now continue installing parallel Amber. If I come up with any other problem regarding the patching, I will let you know.

Thanks a lot,
Manuel F. Merino


-----Original Message-----
From: David A Case <david.case.rutgers.edu>
Sent: Wednesday, February 2, 2022 2:57 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Amber20 Installation run_cmake problem

On Wed, Feb 02, 2022, Manuel Fernandez Merino wrote:
>
>I'm attaching the cmake.log file in this email. Let me know if you need
>some other output from run_cmake!

-----------------------------------------------------------------------------
Error processing line 1 of /software/pcosma/el7.2/amber20_src/build/CMakeFiles/miniconda/install/lib/python3.9/site-packages/distutils-precedence.pth:

   Traceback (most recent call last):
     File "/software/pcosma/el7.2/amber20_src/build/CMakeFiles/miniconda/install/lib/python3.9/site.py", line 169, in addpackage
       exec(line)
     File "<string>", line 1, in <module>
   ModuleNotFoundError: No module named '_distutils_hack'

Remainder of file ignored
-----------------------------------------------------------------------------

I'm now seeing this error on one of my OSX machines: I get the above message when running "parmed" from the command line, but it doesn't seem to cause any problems. It looks like Continuum has changed something in their miniconda release. cc-ing to Jason, since he might know where distutils_hack is coming from, and (if so) whether we really need it.

-----------------------------------------------------------------------------
-- Detailed information about why this check failed can be found in /software/pcosma/el7.2/amber20_src/build/CMakeFiles/CMakeError.log
-- Could NOT find Readline (missing: READLINE_WORKS) CMake Error at cmake/3rdPartyTools.cmake:84 (message):
   3rd party program readline is not bundled and cannot be built inside Amber.
Call Stack (most recent call first):
   cmake/3rdPartyTools.cmake:189 (set_3rdparty)
   CMakeLists.txt:190 (include)
-----------------------------------------------------------------------------

Based on the "el7.2" above, I'm guessing you are running on RHEL7. We just got another report about readline problems that are specific to that distribution. Check the mail archives. You can try the patch posted there, or we'll try to get an update posted soon.

...thanks for the report.....dac


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Received on Thu Feb 03 2022 - 06:30:02 PST
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