[gpaw-users] GPAW parallel installation on El Capitan

[Varadharajan Srinivasan]

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.
> >
> > _______________________________________________
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> > gpaw-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>
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