From 39467e4d67643adfe03063441a337a4925eb179b Mon Sep 17 00:00:00 2001 From: "Ryan S. Elliott" Date: Wed, 6 Mar 2019 17:23:05 -0800 Subject: Update kim-api package and add openkim-models-v2 (#10780) * 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 --- .../repos/builtin/packages/kim-api-v2/package.py | 31 ++++++++++++++++++++ .../repos/builtin/packages/kim-api/package.py | 27 ----------------- .../builtin/packages/openkim-models-v2/package.py | 34 ++++++++++++++++++++++ 3 files changed, 65 insertions(+), 27 deletions(-) create mode 100644 var/spack/repos/builtin/packages/kim-api-v2/package.py delete mode 100644 var/spack/repos/builtin/packages/kim-api/package.py create mode 100644 var/spack/repos/builtin/packages/openkim-models-v2/package.py (limited to 'var') diff --git a/var/spack/repos/builtin/packages/kim-api-v2/package.py b/var/spack/repos/builtin/packages/kim-api-v2/package.py new file mode 100644 index 0000000000..34ce81ee3d --- /dev/null +++ b/var/spack/repos/builtin/packages/kim-api-v2/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 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 deleted file mode 100644 index 94d6d6c62b..0000000000 --- a/var/spack/repos/builtin/packages/kim-api/package.py +++ /dev/null @@ -1,27 +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 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 diff --git a/var/spack/repos/builtin/packages/openkim-models-v2/package.py b/var/spack/repos/builtin/packages/openkim-models-v2/package.py new file mode 100644 index 0000000000..a8615996b4 --- /dev/null +++ b/var/spack/repos/builtin/packages/openkim-models-v2/package.py @@ -0,0 +1,34 @@ +# 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 -- cgit v1.2.3-70-g09d2