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authorRyan S. Elliott <relliott@umn.edu>2019-03-06 17:23:05 -0800
committerPeter Scheibel <scheibel1@llnl.gov>2019-03-06 19:23:05 -0600
commit39467e4d67643adfe03063441a337a4925eb179b (patch)
treeae1124f1369ecba7c01f674b27a840c6c91a75e6 /var
parentedecdc3ace7cbf5df2dcc090da3d1827c4099ebc (diff)
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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
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/kim-api-v2/package.py31
-rw-r--r--var/spack/repos/builtin/packages/kim-api/package.py27
-rw-r--r--var/spack/repos/builtin/packages/openkim-models-v2/package.py34
3 files changed, 65 insertions, 27 deletions
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