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Switch to new entry point mechanism
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oschuett committed Aug 4, 2017
1 parent 4a69ba7 commit b8aaf9e
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Showing 3 changed files with 6 additions and 8 deletions.
2 changes: 1 addition & 1 deletion aiida_cp2k/calculations/__init__.py
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Expand Up @@ -38,7 +38,7 @@ def _init_internal_params(self):
self._COORDS_FILE_NAME = 'aiida.coords.pdb'
self._PROJECT_NAME = 'AIIDA'
self._TRAJ_FILE_NAME = self._PROJECT_NAME+'-pos-1.xyz'
self._default_parser = 'cp2k.Cp2kParser'
self._default_parser = 'cp2k'

#---------------------------------------------------------------------------
@classproperty
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2 changes: 1 addition & 1 deletion aiida_cp2k/parsers/__init__.py
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Expand Up @@ -14,7 +14,7 @@
from aiida.orm.data.parameter import ParameterData
from aiida.orm.data.structure import StructureData
from aiida.parsers.exceptions import OutputParsingError
from aiida.orm.calculation.job.cp2k import Cp2kCalculation
from aiida_cp2k.calculations import Cp2kCalculation

class Cp2kParser(Parser):
"""
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10 changes: 4 additions & 6 deletions test/install_travis_env.sh
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Expand Up @@ -11,13 +11,11 @@ wget -O POTENTIAL https://sourceforge.net/p/cp2k/code/HEAD/tree/branches/cp2k-4_
sudo mkdir -p ${CP2K_DATA_DIR}
sudo mv BASIS_MOLOPT POTENTIAL ${CP2K_DATA_DIR}

# install AiiDA
sudo pip install aiida
# install CP2K plugin (installs AiiDA as dependency)
sudo pip install .

# ready the cp2k plugin
sudo pip install ase
sudo ln -s ${PWD}/aiida_cp2k/calculations /usr/local/lib/python2.7/dist-packages/aiida/orm/calculation/job/cp2k
sudo ln -s ${PWD}/aiida_cp2k/parsers /usr/local/lib/python2.7/dist-packages/aiida/parsers/plugins/cp2k
# update reentry cache
sudo reentry scan

# setup aiida user
verdi quicksetup --email [email protected] --first-name Some --last-name Body --institution XYZ
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