[gpaw-users] pip install gpaw - part 2
Jens Jørgen Mortensen
jensj at fysik.dtu.dk
Thu Mar 10 09:35:40 CET 2016
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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