[gpaw-users] pip install gpaw

[Ask Hjorth Larsen]

Hi

In debian/jessie with python2.7 and numpy 1.10.4:

ASE works without trouble.

With GPAW, I had to (not surprisingly) install libxc-dev for the build
to proceed.  After that, it built, but could not install into
/usr/local/... due to permissions.  I prefer to do --user
installations.  Is that not supposed to work?  Else I could do a
chroot jail so things remain clean of course.

Best regards
Ask



2016-03-09 12:28 GMT+01:00 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>:
> Hi!
>
> 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
>     $ 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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