https://github.com/aiidateam/aiida_core
Tip revision: 9c2b8b5ceeb6ece3ba1a09cb1f8629e82d50e4c4 authored by Spyros Zoupanos on 15 June 2017, 09:47:30 UTC
Adding the correct version for rc3
Adding the correct version for rc3
Tip revision: 9c2b8b5
setup.py
# -*- coding: utf-8 -*-
###########################################################################
# Copyright (c), The AiiDA team. All rights reserved. #
# This file is part of the AiiDA code. #
# #
# The code is hosted on GitHub at https://github.com/aiidateam/aiida_core #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
import fastentrypoints
from os import path
from setuptools import setup, find_packages
from setup_requirements import install_requires, extras_require
if __name__ == '__main__':
# Get the version number
aiida_folder = path.split(path.abspath(__file__))[0]
fname = path.join(aiida_folder, 'aiida', '__init__.py')
with open(fname) as aiida_init:
ns = {}
exec(aiida_init.read(), ns)
aiida_version = ns['__version__']
bin_folder = path.join(aiida_folder, 'bin')
setup(
name='aiida-core',
url='http://www.aiida.net/',
license='MIT License',
author="The AiiDA team",
author_email='developers@aiida.net',
include_package_data=True, # puts non-code files into the distribution, reads list from MANIFEST.in
classifiers=[
'License :: OSI Approved :: MIT License',
'Programming Language :: Python',
'Programming Language :: Python :: 2',
],
version=aiida_version,
install_requires=install_requires,
extras_require=extras_require,
packages=find_packages(),
# Don't forget to install it as well (by adding to the install_requires)
setup_requires=[
'reentry >= 0.9.1'
],
reentry_register=True,
entry_points={
'console_scripts': [
'verdi=aiida.cmdline.verdilib:run',
'verdi-plug = aiida.cmdline.verdi_plug:verdi_plug'
],
# following are AiiDA plugin entry points:
'aiida.calculations': [
'simpleplugins.templatereplacer = aiida.orm.calculation.job.simpleplugins.templatereplacer:TemplatereplacerCalculation',
'quantumespresso.pw = aiida.orm.calculation.job.quantumespresso.pw:PwCalculation',
'quantumespresso.cp = aiida.orm.calculation.job.quantumespresso.cp:CpCalculation',
'quantumespresso.pwimmigrant = aiida.orm.calculation.job.quantumespresso.pwimmigrant:PwimmigrantCalculation',
'nwchem.basic = aiida.orm.calculation.job.nwchem.basic:BasicCalculation',
'nwchem.pymatgen = aiida.orm.calculation.job.nwchem.nwcpymatgen:NwcpymatgenCalculation',
'codtools.ciffilter = aiida.orm.calculation.job.codtools.ciffilter:CiffilterCalculation',
'codtools.cifcellcontents = aiida.orm.calculation.job.codtools.cifcellcontents:CifcellcontentsCalculation',
'codtools.cifcodcheck = aiida.orm.calculation.job.codtools.cifcodcheck:CifcodcheckCalculation',
'codtools.cifcoddeposit = aiida.orm.calculation.job.codtools.cifcoddeposit:CifcoddepositCalculation',
'codtools.cifcodnumbers = aiida.orm.calculation.job.codtools.cifcodnumbers:CifcodnumbersCalculation',
'codtools.cifsplitprimitive = aiida.orm.calculation.job.codtools.cifsplitprimitive:CifsplitprimitiveCalculation',
],
'aiida.data':[
'array.bands = aiida.orm.data.array.bands:BandsData',
'array.kpoints = aiida.orm.data.array.kpoints:KpointsData',
'array.projection = aiida.orm.data.array.projection:ProjectionData',
'array.trajectory = aiida.orm.data.array.trajectory:TrajectoryData',
'array.xy = aiida.orm.data.array.xy:XyData',
'cif = aiida.orm.data.cif:CifData',
'error = aiida.orm.data.error:Error',
'folder = aiida.orm.data.folder:FolderData',
'parameter = aiida.orm.data.parameter:ParameterData',
'remote = aiida.orm.data.remote:RemoteData',
'simple = aiida.orm.data.simple:SimpleData',
'singlefile = aiida.orm.data.singlefile:SinglefileData',
'structure = aiida.orm.data.structure:StructureData',
'upf = aiida.orm.data.upf:UpfData'
],
'aiida.parsers': [
'codtools.cifcellcontents = aiida.parsers.plugins.codtools.cifcellcontents:CifcellcontentsParser',
'codtools.cifcodcheck = aiida.parsers.plugins.codtools.cifcodcheck:CifcodcheckParser',
'codtools.cifcoddeposit = aiida.parsers.plugins.codtools.cifcoddeposit:CifcoddepositParser',
'codtools.cifcodnumbers = aiida.parsers.plugins.codtools.cifcodnumbers:CifcodnumbersParser',
'codtools.ciffilter = aiida.parsers.plugins.codtools.ciffilter:CiffilterParser',
'codtools.cifsplitprimitive = aiida.parsers.plugins.codtools.cifsplitprimitive:CifsplitprimitiveParser',
'nwchem.basic = aiida.parsers.plugins.nwchem.basic:BasicParser',
'nwchem.basenwc = aiida.parsers.plugins.nwchem.__init__:BasenwcParser',
'nwchem.pymatgen = aiida.parsers.plugins.nwchem.nwcpymatgen:NwcpymatgenParser',
'quantumespresso.basicpw = aiida.parsers.plugins.quantumespresso.basicpw:BasicpwParser',
'quantumespresso.cp = aiida.parsers.plugins.quantumespresso.cp:CpParser',
'quantumespresso.pw = aiida.parsers.plugins.quantumespresso.pw:PwParser',
],
'aiida.cmdline': [],
'aiida.schedulers': [
'direct = aiida.scheduler.plugins.direct:DirectScheduler',
'slurm = aiida.scheduler.plugins.slurm:SlurmScheduler',
'pbspro = aiida.scheduler.plugins.pbspro:PbsproScheduler',
'torque = aiida.scheduler.plugins.torque:TorqueScheduler',
],
'aiida.transports': [
'ssh = aiida.transport.plugins.ssh:SshTransport',
'local = aiida.transport.plugins.local:LocalTransport',
],
'aiida.workflows': [],
'aiida.tools.dbexporters.tcod_plugins': [
'quantumespresso.cp = aiida.tools.dbexporters.tcod_plugins.cp:CpTcodtranslator',
'nwchem.nwcpymatgen = aiida.tools.dbexporters.tcod_plugins.nwcpymatgen:NwcpymatgenTcodtranslator',
'quantumespresso.pw = aiida.tools.dbexporters.tcod_plugins.pw:PwTcodtranslator'
],
'aiida.tools.dbexporters': [
'tcod = aiida.tools.dbexporters.tcod'
],
'aiida.tools.dbimporters': [
'cod = aiida.tools.dbimporters.cod',
'icsd = aiida.tools.dbimporters.icsd',
'mpod = aiida.tools.dbimporters.mpod',
'nninc = aiida.tools.dbimporters.nninc',
'oqmd = aiida.tools.dbimporters.oqmd',
'pcod = aiida.tools.dbimporters.pcod',
'tcod = aiida.tools.dbimporters.tcod'
]
},
scripts=['bin/runaiida'],
long_description=open(path.join(aiida_folder, 'README.rst')).read(),
)