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Update kim-api package and add openkim-models-v2 (#10780)

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* Replace kim-api package with kim-api-v2, which has different
  versions and removes the 'cmake_args' method
* Add openkim-models-v2 as an extension package
This commit is contained in:
Ryan S. Elliott 2019-03-06 17:23:05 -08:00 committed by Peter Scheibel
parent edecdc3ace
commit 39467e4d67
3 changed files with 65 additions and 27 deletions
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31
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# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class KimApiV2(CMakePackage):
"""OpenKIM is an online framework for making molecular simulations
reliable, reproducible, and portable. Computer implementations of
inter-atomic models are archived in OpenKIM, verified for coding
integrity, and tested by computing their predictions for a variety
of material properties. Models conforming to the KIM application
programming interface (API) work seamlessly with major simulation
codes that have adopted the KIM API standard.
This package provides the kim-api-v2 library and supporting
utilities. It also provides a small set of example models.
To obtain all models archived at https://openkim.org that are
compatible with the kim-api-v2 package, install and activate the
openkim-models-v2 pacakge too.
"""
extendable = True
homepage = "https://openkim.org/"
url = "https://s3.openkim.org/kim-api/kim-api-v2-2.0.1.txz"
git = "https://github.com/openkim/kim-api.git"
version('develop', branch='devel')
version('2.0.1', sha256="6b54a9c4bc34c669b8ef00b9be4bbdce6fca2bb813dc1fe7697d618f267860d0", extension='txz', url='https://s3.openkim.org/kim-api/kim-api-v2-2.0.1.txz')

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# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class KimApi(CMakePackage):
"""OpenKIM is an online framework for making molecular simulations
reliable, reproducible, and portable. Computer implementations of
inter-atomic models are archived in OpenKIM, verified for coding
integrity, and tested by computing their predictions for a variety
of material properties. Models conforming to the KIM application
programming interface (API) work seamlessly with major simulation
codes that have adopted the KIM API standard.
"""
homepage = "https://openkim.org/"
git = "https://github.com/openkim/kim-api"
version('develop', branch='master')
version('2.0rc1', commit="c2ab409ec0154ebd85d20a0a1a0bd2ba6ea95a9c")
def cmake_args(self):
args = ['-DBUILD_MODULES=OFF']
return args

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var/spack/repos/builtin/packages/openkim-models-v2/package.py Normal file
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# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class OpenkimModelsV2(CMakePackage):
"""OpenKIM is an online framework for making molecular simulations
reliable, reproducible, and portable. Computer implementations of
inter-atomic models are archived in OpenKIM, verified for coding
integrity, and tested by computing their predictions for a variety
of material properties. Models conforming to the KIM application
programming interface (API) work seamlessly with major simulation
codes that have adopted the KIM API standard.
This package provides all models archived at openkim.org that are
compatible with the kim-api-v2 package.
"""
homepage = "https://openkim.org/"
url = "https://s3.openkim.org/archives/collection/OpenKIM-Models-v2-2019-02-21.txz"
extends('kim-api-v2')
version('2019-02-21', sha256='3bd30b0cf2bab314755a66eed621a77c72d3f990818d08366874149be39f208e', extension='txz', url='https://s3.openkim.org/archives/collection/OpenKIM-Models-v2-2019-02-21.txz')
def cmake_args(self):
args = []
args.append('-DKIM_API_MODEL_INSTALL_PREFIX={0}/lib/kim-api-v2/models'
.format(prefix))
args.append(('-DKIM_API_MODEL_DRIVER_INSTALL_PREFIX={0}'
+ '/lib/kim-api-v2/model-drivers').format(prefix))
return args