[ase-users] Installing ASE on a CentOS 7 system

[Jens Jørgen Mortensen]

Den 12.11.2019 kl. 22.51 skrev Michal Krompiec via ase-users:
> Why not install anaconda as a separate trunk, and enable/disable it with 
> module load/unload?

Alternatively, you can do

     python3.7 -m pip install ase --user

You may need to install pip for Python 3.7 first.  Maybe CentOS has a 
package or this might work:

     python3.7 -m ensurepip --user

Jens Jørgen

> Best,
> Michal Krompiec
> Merck KGaA
> 
> On Tue, 12 Nov 2019 at 20:41, Clayton Spencer via ase-users 
> <ase-users at listserv.fysik.dtu.dk 
> <mailto:ase-users at listserv.fysik.dtu.dk>> wrote:
> 
>     Greetings,
> 
>     I'm trying to install ASE on my CentOS 7 system. I see that ASE no
>     longer uses Python 2.7. This is the version that is native to CentOS
>     7 linux and my understanding is that upgrading can break system
>     software such as yum.
> 
>     I've upgraded python to Python3.7 following the "installing from
>     source" instructions here:
>     https://phoenixnap.com/kb/how-to-install-python-3-centos-7 which
>     installs 3.7 as an alternative (not default) python installation. 
>     In order to use the command line interpreter for python3.7, I need
>     to type python3.7 rather than the normal "python".
> 
>     My question: how do I then install ASE?
> 
>     If I try to use pip, it reverts to the 2.7 installation and fails.
>     Not sure where to go from here.  Thanks, in advance,
> 
>     --Clayton
>     Clayton Spencer, Ph.D.
>     Assoc. Prof. of Chemistry
>     Illinois College
>     1101 West College Ave.
>     <https://www.google.com/maps/search/1101+West+College+Ave.+Jacksonville,+IL+62650?entry=gmail&source=g>
>     Jacksonville, IL 62650
>     <https://www.google.com/maps/search/1101+West+College+Ave.+Jacksonville,+IL+62650?entry=gmail&source=g>
>     217-245-3434 (office)
>     217-204-5720 (mobile)
> 
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