kim-tools 0.2.0b0__tar.gz

kim_tools-0.2.0b0/LICENSE.CDDL

@@ -0,0 +1,380 @@
+COMMON DEVELOPMENT AND DISTRIBUTION LICENSE (CDDL) Version 1.0
+
+1. Definitions.
+
+1.1. "Contributor" means each individual or entity that
+creates or contributes to the creation of Modifications.
+
+1.2. "Contributor Version" means the combination of the
+Original Software, prior Modifications used by a
+Contributor (if any), and the Modifications made by that
+particular Contributor.
+
+1.3. "Covered Software" means (a) the Original Software, or
+(b) Modifications, or (c) the combination of files
+containing Original Software with files containing
+Modifications, in each case including portions thereof.
+
+1.4. "Executable" means the Covered Software in any form
+other than Source Code.
+
+1.5. "Initial Developer" means the individual or entity
+that first makes Original Software available under this
+License.
+
+1.6. "Larger Work" means a work which combines Covered
+Software or portions thereof with code not governed by the
+terms of this License.
+
+1.7. "License" means this document.
+
+1.8. "Licensable" means having the right to grant, to the
+maximum extent possible, whether at the time of the initial
+grant or subsequently acquired, any and all of the rights
+conveyed herein.
+
+1.9. "Modifications" means the Source Code and Executable
+form of any of the following:
+
+A. Any file that results from an addition to,
+deletion from or modification of the contents of a
+file containing Original Software or previous
+Modifications;
+
+B. Any new file that contains any part of the
+Original Software or previous Modification; or
+
+C. Any new file that is contributed or otherwise made
+available under the terms of this License.
+
+1.10. "Original Software" means the Source Code and
+Executable form of computer software code that is
+originally released under this License.
+
+1.11. "Patent Claims" means any patent claim(s), now owned
+or hereafter acquired, including without limitation,
+method, process, and apparatus claims, in any patent
+Licensable by grantor.
+
+1.12. "Source Code" means (a) the common form of computer
+software code in which modifications are made and (b)
+associated documentation included in or with such code.
+
+1.13. "You" (or "Your") means an individual or a legal
+entity exercising rights under, and complying with all of
+the terms of, this License. For legal entities, "You"
+includes any entity which controls, is controlled by, or is
+under common control with You. For purposes of this
+definition, "control" means (a) the power, direct or
+indirect, to cause the direction or management of such
+entity, whether by contract or otherwise, or (b) ownership
+of more than fifty percent (50%) of the outstanding shares
+or beneficial ownership of such entity.
+
+2. License Grants.
+
+2.1. The Initial Developer Grant.
+
+Conditioned upon Your compliance with Section 3.1 below and
+subject to third party intellectual property claims, the
+Initial Developer hereby grants You a world-wide,
+royalty-free, non-exclusive license:
+
+(a) under intellectual property rights (other than
+patent or trademark) Licensable by Initial Developer,
+to use, reproduce, modify, display, perform,
+sublicense and distribute the Original Software (or
+portions thereof), with or without Modifications,
+and/or as part of a Larger Work; and
+
+(b) under Patent Claims infringed by the making,
+using or selling of Original Software, to make, have
+made, use, practice, sell, and offer for sale, and/or
+otherwise dispose of the Original Software (or
+portions thereof).
+
+(c) The licenses granted in Sections 2.1(a) and (b)
+are effective on the date Initial Developer first
+distributes or otherwise makes the Original Software
+available to a third party under the terms of this
+License.
+
+(d) Notwithstanding Section 2.1(b) above, no patent
+license is granted: (1) for code that You delete from
+the Original Software, or (2) for infringements
+caused by: (i) the modification of the Original
+Software, or (ii) the combination of the Original
+Software with other software or devices.
+
+2.2. Contributor Grant.
+
+Conditioned upon Your compliance with Section 3.1 below and
+subject to third party intellectual property claims, each
+Contributor hereby grants You a world-wide, royalty-free,
+non-exclusive license:
+
+(a) under intellectual property rights (other than
+patent or trademark) Licensable by Contributor to
+use, reproduce, modify, display, perform, sublicense
+and distribute the Modifications created by such
+Contributor (or portions thereof), either on an
+unmodified basis, with other Modifications, as
+Covered Software and/or as part of a Larger Work; and
+
+(b) under Patent Claims infringed by the making,
+using, or selling of Modifications made by that
+Contributor either alone and/or in combination with
+its Contributor Version (or portions of such
+combination), to make, use, sell, offer for sale,
+have made, and/or otherwise dispose of: (1)
+Modifications made by that Contributor (or portions
+thereof); and (2) the combination of Modifications
+made by that Contributor with its Contributor Version
+(or portions of such combination).
+
+(c) The licenses granted in Sections 2.2(a) and
+2.2(b) are effective on the date Contributor first
+distributes or otherwise makes the Modifications
+available to a third party.
+
+(d) Notwithstanding Section 2.2(b) above, no patent
+license is granted: (1) for any code that Contributor
+has deleted from the Contributor Version; (2) for
+infringements caused by: (i) third party
+modifications of Contributor Version, or (ii) the
+combination of Modifications made by that Contributor
+with other software (except as part of the
+Contributor Version) or other devices; or (3) under
+Patent Claims infringed by Covered Software in the
+absence of Modifications made by that Contributor.
+
+3. Distribution Obligations.
+
+3.1. Availability of Source Code.
+
+Any Covered Software that You distribute or otherwise make
+available in Executable form must also be made available in
+Source Code form and that Source Code form must be
+distributed only under the terms of this License. You must
+include a copy of this License with every copy of the
+Source Code form of the Covered Software You distribute or
+otherwise make available. You must inform recipients of any
+such Covered Software in Executable form as to how they can
+obtain such Covered Software in Source Code form in a
+reasonable manner on or through a medium customarily used
+for software exchange.
+
+3.2. Modifications.
+
+The Modifications that You create or to which You
+contribute are governed by the terms of this License. You
+represent that You believe Your Modifications are Your
+original creation(s) and/or You have sufficient rights to
+grant the rights conveyed by this License.
+
+3.3. Required Notices.
+
+You must include a notice in each of Your Modifications
+that identifies You as the Contributor of the Modification.
+You may not remove or alter any copyright, patent or
+trademark notices contained within the Covered Software, or
+any notices of licensing or any descriptive text giving
+attribution to any Contributor or the Initial Developer.
+
+3.4. Application of Additional Terms.
+
+You may not offer or impose any terms on any Covered
+Software in Source Code form that alters or restricts the
+applicable version of this License or the recipients'
+rights hereunder. You may choose to offer, and to charge a
+fee for, warranty, support, indemnity or liability
+obligations to one or more recipients of Covered Software.
+However, you may do so only on Your own behalf, and not on
+behalf of the Initial Developer or any Contributor. You
+must make it absolutely clear that any such warranty,
+support, indemnity or liability obligation is offered by
+You alone, and You hereby agree to indemnify the Initial
+Developer and every Contributor for any liability incurred
+by the Initial Developer or such Contributor as a result of
+warranty, support, indemnity or liability terms You offer.
+
+3.5. Distribution of Executable Versions.
+
+You may distribute the Executable form of the Covered
+Software under the terms of this License or under the terms
+of a license of Your choice, which may contain terms
+different from this License, provided that You are in
+compliance with the terms of this License and that the
+license for the Executable form does not attempt to limit
+or alter the recipient's rights in the Source Code form
+from the rights set forth in this License. If You
+distribute the Covered Software in Executable form under a
+different license, You must make it absolutely clear that
+any terms which differ from this License are offered by You
+alone, not by the Initial Developer or Contributor. You
+hereby agree to indemnify the Initial Developer and every
+Contributor for any liability incurred by the Initial
+Developer or such Contributor as a result of any such terms
+You offer.
+
+3.6. Larger Works.
+
+You may create a Larger Work by combining Covered Software
+with other code not governed by the terms of this License
+and distribute the Larger Work as a single product. In such
+a case, You must make sure the requirements of this License
+are fulfilled for the Covered Software.
+
+4. Versions of the License.
+
+4.1. New Versions.
+
+Sun Microsystems, Inc. is the initial license steward and
+may publish revised and/or new versions of this License
+from time to time. Each version will be given a
+distinguishing version number. Except as provided in
+Section 4.3, no one other than the license steward has the
+right to modify this License.
+
+4.2. Effect of New Versions.
+
+You may always continue to use, distribute or otherwise
+make the Covered Software available under the terms of the
+version of the License under which You originally received
+the Covered Software. If the Initial Developer includes a
+notice in the Original Software prohibiting it from being
+distributed or otherwise made available under any
+subsequent version of the License, You must distribute and
+make the Covered Software available under the terms of the
+version of the License under which You originally received
+the Covered Software. Otherwise, You may also choose to
+use, distribute or otherwise make the Covered Software
+available under the terms of any subsequent version of the
+License published by the license steward.
+
+4.3. Modified Versions.
+
+When You are an Initial Developer and You want to create a
+new license for Your Original Software, You may create and
+use a modified version of this License if You: (a) rename
+the license and remove any references to the name of the
+license steward (except to note that the license differs
+from this License); and (b) otherwise make it clear that
+the license contains terms which differ from this License.
+
+5. DISCLAIMER OF WARRANTY.
+
+COVERED SOFTWARE IS PROVIDED UNDER THIS LICENSE ON AN "AS IS"
+BASIS, WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED OR IMPLIED,
+INCLUDING, WITHOUT LIMITATION, WARRANTIES THAT THE COVERED
+SOFTWARE IS FREE OF DEFECTS, MERCHANTABLE, FIT FOR A PARTICULAR
+PURPOSE OR NON-INFRINGING. THE ENTIRE RISK AS TO THE QUALITY AND
+PERFORMANCE OF THE COVERED SOFTWARE IS WITH YOU. SHOULD ANY
+COVERED SOFTWARE PROVE DEFECTIVE IN ANY RESPECT, YOU (NOT THE
+INITIAL DEVELOPER OR ANY OTHER CONTRIBUTOR) ASSUME THE COST OF
+ANY NECESSARY SERVICING, REPAIR OR CORRECTION. THIS DISCLAIMER OF
+WARRANTY CONSTITUTES AN ESSENTIAL PART OF THIS LICENSE. NO USE OF
+ANY COVERED SOFTWARE IS AUTHORIZED HEREUNDER EXCEPT UNDER THIS
+DISCLAIMER.
+
+6. TERMINATION.
+
+6.1. This License and the rights granted hereunder will
+terminate automatically if You fail to comply with terms
+herein and fail to cure such breach within 30 days of
+becoming aware of the breach. Provisions which, by their
+nature, must remain in effect beyond the termination of
+this License shall survive.
+
+6.2. If You assert a patent infringement claim (excluding
+declaratory judgment actions) against Initial Developer or
+a Contributor (the Initial Developer or Contributor against
+whom You assert such claim is referred to as "Participant")
+alleging that the Participant Software (meaning the
+Contributor Version where the Participant is a Contributor
+or the Original Software where the Participant is the
+Initial Developer) directly or indirectly infringes any
+patent, then any and all rights granted directly or
+indirectly to You by such Participant, the Initial
+Developer (if the Initial Developer is not the Participant)
+and all Contributors under Sections 2.1 and/or 2.2 of this
+License shall, upon 60 days notice from Participant
+terminate prospectively and automatically at the expiration
+of such 60 day notice period, unless if within such 60 day
+period You withdraw Your claim with respect to the
+Participant Software against such Participant either
+unilaterally or pursuant to a written agreement with
+Participant.
+
+6.3. In the event of termination under Sections 6.1 or 6.2
+above, all end user licenses that have been validly granted
+by You or any distributor hereunder prior to termination
+(excluding licenses granted to You by any distributor)
+shall survive termination.
+
+7. LIMITATION OF LIABILITY.
+
+UNDER NO CIRCUMSTANCES AND UNDER NO LEGAL THEORY, WHETHER TORT
+(INCLUDING NEGLIGENCE), CONTRACT, OR OTHERWISE, SHALL YOU, THE
+INITIAL DEVELOPER, ANY OTHER CONTRIBUTOR, OR ANY DISTRIBUTOR OF
+COVERED SOFTWARE, OR ANY SUPPLIER OF ANY OF SUCH PARTIES, BE
+LIABLE TO ANY PERSON FOR ANY INDIRECT, SPECIAL, INCIDENTAL, OR
+CONSEQUENTIAL DAMAGES OF ANY CHARACTER INCLUDING, WITHOUT
+LIMITATION, DAMAGES FOR LOST PROFITS, LOSS OF GOODWILL, WORK
+STOPPAGE, COMPUTER FAILURE OR MALFUNCTION, OR ANY AND ALL OTHER
+COMMERCIAL DAMAGES OR LOSSES, EVEN IF SUCH PARTY SHALL HAVE BEEN
+INFORMED OF THE POSSIBILITY OF SUCH DAMAGES. THIS LIMITATION OF
+LIABILITY SHALL NOT APPLY TO LIABILITY FOR DEATH OR PERSONAL
+INJURY RESULTING FROM SUCH PARTY'S NEGLIGENCE TO THE EXTENT
+APPLICABLE LAW PROHIBITS SUCH LIMITATION. SOME JURISDICTIONS DO
+NOT ALLOW THE EXCLUSION OR LIMITATION OF INCIDENTAL OR
+CONSEQUENTIAL DAMAGES, SO THIS EXCLUSION AND LIMITATION MAY NOT
+APPLY TO YOU.
+
+8. U.S. GOVERNMENT END USERS.
+
+The Covered Software is a "commercial item," as that term is
+defined in 48 C.F.R. 2.101 (Oct. 1995), consisting of "commercial
+computer software" (as that term is defined at 48 C.F.R.
+252.227-7014(a)(1)) and "commercial computer software
+documentation" as such terms are used in 48 C.F.R. 12.212 (Sept.
+1995). Consistent with 48 C.F.R. 12.212 and 48 C.F.R. 227.7202-1
+through 227.7202-4 (June 1995), all U.S. Government End Users
+acquire Covered Software with only those rights set forth herein.
+This U.S. Government Rights clause is in lieu of, and supersedes,
+any other FAR, DFAR, or other clause or provision that addresses
+Government rights in computer software under this License.
+
+9. MISCELLANEOUS.
+
+This License represents the complete agreement concerning subject
+matter hereof. If any provision of this License is held to be
+unenforceable, such provision shall be reformed only to the
+extent necessary to make it enforceable. This License shall be
+governed by the law of the jurisdiction specified in a notice
+contained within the Original Software (except to the extent
+applicable law, if any, provides otherwise), excluding such
+jurisdiction's conflict-of-law provisions. Any litigation
+relating to this License shall be subject to the jurisdiction of
+the courts located in the jurisdiction and venue specified in a
+notice contained within the Original Software, with the losing
+party responsible for costs, including, without limitation, court
+costs and reasonable attorneys' fees and expenses. The
+application of the United Nations Convention on Contracts for the
+International Sale of Goods is expressly excluded. Any law or
+regulation which provides that the language of a contract shall
+be construed against the drafter shall not apply to this License.
+You agree that You alone are responsible for compliance with the
+United States export administration regulations (and the export
+control laws and regulation of any other countries) when You use,
+distribute or otherwise make available any Covered Software.
+
+10. RESPONSIBILITY FOR CLAIMS.
+
+As between Initial Developer and the Contributors, each party is
+responsible for claims and damages arising, directly or
+indirectly, out of its utilization of rights under this License
+and You agree to work with Initial Developer and Contributors to
+distribute such responsibility on an equitable basis. Nothing
+herein is intended or shall be deemed to constitute any admission
+of liability.

kim_tools-0.2.0b0/MANIFEST.in

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+include kim_tools/aflow_util/data/README_PROTO.TXT
+recursive-include kim_tools/symmetry_util/data *.json

kim_tools-0.2.0b0/PKG-INFO

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+Metadata-Version: 2.4
+Name: kim-tools
+Version: 0.2.0b0
+Summary: Base classes and helper routines for writing KIM Tests
+Author-email: ilia Nikiforov <nikif002@umn.edu>, Ellad Tadmor <tadmor@umn.edu>, Claire Waters <bwaters@umn.edu>, "Daniel S. Karls" <karl0100umn@gmail.com>, Matt Bierbaum <matt.bierbaum@gmail.com>, Eric Fuemmeler <efuemmel@umn.edu>
+Maintainer-email: ilia Nikiforov <nikif002@umn.edu>
+Project-URL: Homepage, https://kim-tools.readthedocs.io
+Project-URL: Issues, https://github.com/openkim/kim-tools/issues
+Keywords: kim-tools,kim_tools,openkim,crystal genome
+Classifier: Development Status :: 4 - Beta
+Classifier: License :: OSI Approved :: Common Development and Distribution License 1.0 (CDDL-1.0)
+Classifier: Programming Language :: Python :: 3
+Classifier: Operating System :: OS Independent
+Classifier: Topic :: Scientific/Engineering :: Physics
+Requires-Python: >=3.8
+Description-Content-Type: text/markdown
+License-File: LICENSE.CDDL
+Requires-Dist: ase>=3.23
+Requires-Dist: kim-property>=2.6.8
+Requires-Dist: kim-edn>=1.4.1
+Requires-Dist: spglib>=2.1.0
+Requires-Dist: kim-query>=3.0.0
+Requires-Dist: sympy>=1.13.2
+Requires-Dist: numpy>=1.13.1
+Requires-Dist: scipy>=1.3.0
+Requires-Dist: jinja2>=2.7.2
+Dynamic: license-file
+
+# kim-tools
+
+KIMTestDriver and SingleCrystalTestDriver classes for creating OpenKIM Test Drivers, and helper routines for writing
+KIM Tests and Verification Checks. Documentation at https://kim-tools.readthedocs.io.

kim_tools-0.2.0b0/README.md

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+# kim-tools
+
+KIMTestDriver and SingleCrystalTestDriver classes for creating OpenKIM Test Drivers, and helper routines for writing
+KIM Tests and Verification Checks. Documentation at https://kim-tools.readthedocs.io.

kim_tools-0.2.0b0/kim_tools/__init__.py

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+__version__ = "0.2.0b0"
+
+from .aflow_util import *
+from .aflow_util import __all__ as aflow_all
+from .ase import *
+from .ase import __all__ as ase_all
+from .symmetry_util import *
+from .symmetry_util import __all__ as symmetry_all
+from .test_driver import *
+from .test_driver import __all__ as test_driver_all
+from .vc import *
+from .vc import __all__ as vc_all
+
+__all__ = test_driver_all + aflow_all + symmetry_all + ase_all + vc_all

kim_tools-0.2.0b0/kim_tools/aflow_util/__init__.py

@@ -0,0 +1,4 @@
+from .core import *
+from .core import __all__ as aflow_all
+
+__all__ = aflow_all