From 3c641f47cda7129007f997d3f3237116f207df90 Mon Sep 17 00:00:00 2001 From: "Ryan S. Elliott" Date: Tue, 2 Apr 2019 19:44:24 -0500 Subject: kim-api and openkim-models: version update and rename (#11065) --- .../repos/builtin/packages/kim-api-v2/package.py | 31 ---------------- .../repos/builtin/packages/kim-api/package.py | 31 ++++++++++++++++ .../builtin/packages/openkim-models-v2/package.py | 34 ------------------ .../builtin/packages/openkim-models/package.py | 41 ++++++++++++++++++++++ 4 files changed, 72 insertions(+), 65 deletions(-) delete mode 100644 var/spack/repos/builtin/packages/kim-api-v2/package.py create mode 100644 var/spack/repos/builtin/packages/kim-api/package.py delete mode 100644 var/spack/repos/builtin/packages/openkim-models-v2/package.py create mode 100644 var/spack/repos/builtin/packages/openkim-models/package.py diff --git a/var/spack/repos/builtin/packages/kim-api-v2/package.py b/var/spack/repos/builtin/packages/kim-api-v2/package.py deleted file mode 100644 index 34ce81ee3d..0000000000 --- a/var/spack/repos/builtin/packages/kim-api-v2/package.py +++ /dev/null @@ -1,31 +0,0 @@ -# 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') diff --git a/var/spack/repos/builtin/packages/kim-api/package.py b/var/spack/repos/builtin/packages/kim-api/package.py new file mode 100644 index 0000000000..3056aec2af --- /dev/null +++ b/var/spack/repos/builtin/packages/kim-api/package.py @@ -0,0 +1,31 @@ +# 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. + + This package provides the kim-api 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 package, install and activate the + openkim-models pacakge too. + """ + extendable = True + homepage = "https://openkim.org/" + url = "https://s3.openkim.org/kim-api/kim-api-2.0.2.txz" + git = "https://github.com/openkim/kim-api.git" + + version('develop', branch='devel') + version('2.0.2', sha256="26e7cf91066692f316b8ba1548ccb7152bf56aad75902bce2338cff53e74e63d", extension='txz', url='https://s3.openkim.org/kim-api/kim-api-2.0.2.txz') diff --git a/var/spack/repos/builtin/packages/openkim-models-v2/package.py b/var/spack/repos/builtin/packages/openkim-models-v2/package.py deleted file mode 100644 index a8615996b4..0000000000 --- a/var/spack/repos/builtin/packages/openkim-models-v2/package.py +++ /dev/null @@ -1,34 +0,0 @@ -# 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 diff --git a/var/spack/repos/builtin/packages/openkim-models/package.py b/var/spack/repos/builtin/packages/openkim-models/package.py new file mode 100644 index 0000000000..543df37424 --- /dev/null +++ b/var/spack/repos/builtin/packages/openkim-models/package.py @@ -0,0 +1,41 @@ +# 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 OpenkimModels(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 package. + """ + homepage = "https://openkim.org/" + url = "https://s3.openkim.org/archives/collection/openkim-models-2019-03-29.txz" + + extends('kim-api') + + version( + '2019-03-29', + sha256='053dda2023fe4bb6d7c1d66530c758c4e633bbf1f1be17b6b075b276fe8874f6', + extension='txz', + url='https://s3.openkim.org/archives/collection/openkim-models-2019-03-29.txz') + + def cmake_args(self): + args = [] + args.append(('-DKIM_API_MODEL_DRIVER_INSTALL_PREFIX={0}' + + '/lib/kim-api/model-drivers').format(prefix)) + args.append('-DKIM_API_MODEL_INSTALL_PREFIX={0}/lib/kim-api/models' + .format(prefix)) + args.append('-DKIM_API_SIMULATOR_MODEL_INSTALL_PREFIX={0}/lib/' + 'kim-api/simulator-models' + .format(prefix)) + return args -- cgit v1.2.3-60-g2f50