[gpaw-users] GPAW parallel installation on El Capitan

[Ask Hjorth Larsen]

I think someone who knows about the architecture would need to look at
this.  gpaw-python is supposed to have the same configuration as
normal Python, and it seems to be missing PYTHONPATH for instance.

Best regards
Ask

2016-04-08 13:43 GMT+02:00 Varadharajan Srinivasan
<varadharajan.srinivasan at gmail.com>:
> Dear Ask,
>
> Thank you for the prompt reply.
>>
>>
>> You run "gpaw info" in serial, so it has no scalapack.
>>
>> Try "gpaw-python $(which gpaw) info".
>>
> I ran this and got an error :
>  gpaw-python $(which gpaw) info
> Traceback (most recent call last):
>   File "/Users/vardha/Virtualenvs/gpaw-trunk/bin/gpaw", line 2, in <module>
>     from gpaw.cli.main import main
> ImportError: No module named gpaw.cli.main
>
>>
>> In fact, someone should probably add that trick to the web page if it
>> isn't there already.
>>
>> They don't find ASE installed.  Please check that you can import ase
>> from gpaw-python, e.g. gpaw-python -c "import ase"
>
>
> I then tried  gpaw-python -c "import ase" and got :
> Traceback (most recent call last):
>   File "<string>", line 1, in <module>
> ImportError: No module named ase
>
> Is there something wrong with my paths? I installed GPAW in virtualenvs and
> used  the .bash_profile  below.
>
> Thanks,
> Vardha.
>
> # Set architecture flags
> export ARCHFLAGS="-arch x86_64"
>
> # personal installation of pip
> export PATH=/Users/$USER/pip_latest:$PATH
> export PYTHONPATH=/Users/$USER/pip_latest:$PYTHONPATH
>
> pyver=`python -c "from distutils import sysconfig; print
> sysconfig.get_python_version()"`
>
> # pip --user installations of packages
> export PATH=/Users/$USER/Library/Python/${pyver}/bin:$PATH
> export
> PYTHONPATH=/Users/$USER/Library/Python/${pyver}/lib/python/site-packages:$PYTHONPATH
>
> # homebrew
> # Ensure user-installed binaries take precedence
> export PATH=/usr/local/bin:$PATH
> export PYTHONPATH=/usr/local/lib/python${pyver}/site-packages:$PYTHONPATH
> # hack gtk-2.0
> export
> PYTHONPATH=/usr/local/lib/python${pyver}/site-packages/gtk-2.0:$PYTHONPATH
> # https://github.com/mxcl/homebrew/issues/16891
> export PKG_CONFIG_PATH=`brew --prefix libffi`/lib/pkgconfig:$PKG_CONFIG_PATH
> export PKG_CONFIG_PATH=/opt/X11/lib/pkgconfig:$PKG_CONFIG_PATH
> export PKG_CONFIG_PATH=/usr/local/lib/pkgconfig:$PKG_CONFIG_PATH
>
> # virtualenv
> # virtualenv should use Distribute instead of legacy setuptools
> export VIRTUALENV_DISTRIBUTE=true
> # Centralized location for new virtual environments
> export PIP_VIRTUALENV_BASE=$HOME/Virtualenvs
> # pip should only run if there is a virtualenv currently activated
> export PIP_REQUIRE_VIRTUALENV=true
> # cache pip-installed packages to avoid re-downloading
> export PIP_DOWNLOAD_CACHE=$HOME/.pip/cache
>>
>>
>> Then try within mpirun.
>>
>> Best regards
>> Ask
>>
>> > Thanks,
>> > Vardha.
>> >
>> > _______________________________________________
>> > gpaw-users mailing list
>> > gpaw-users at listserv.fysik.dtu.dk
>> > https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>
>