[gpaw-users] pip install gpaw - part 2

[Ask Hjorth Larsen]

It works!

As I mentioned, debian/jessie, numpy 1.10.4, with libxc/BLAS etc. from
repositories.

Best regards
Ask

2016-03-10 9:35 GMT+01:00 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>:
> Hi again!
>
> Here is a corrected recipe for pip installing ASE and GPAW:
>
> I'd like to have someone test the installation of ASE+GPAW using pip. It
> goes like this:
>
> Start from scratch (I'm assuming you have numpy on your system):
>
>     $ unset PYTHONPATH
>     $ export PATH=~/.local/bin:$PATH
>
> Install ASE and test:
>
>     $ pip install ase==3.11.0b3 --user --upgrade
>     $ python -m ase.test
>
> Install GPAW and test:
>
>     $ pip install gpaw==1.0.0b2 --user --upgrade
>     $ gpaw-install-setups --register test-gpaw-setups
>     $ gpaw test -j4
>
> Does it work for you?
>
> When done, you may want to clean up your ~/.gpaw/rc.py file and do a "pip
> uninstall ase gpaw".
>
> Jens Jørgen
>
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