materialite 0.1.0__tar.gz

materialite-0.1.0/LICENSE

@@ -0,0 +1,202 @@
+
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materialite-0.1.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: materialite
+Version: 0.1.0
+Summary: Streamlined microstructure modeling - A unified Python framework for materials science and mechanics research
+Author: NASA Langley Research Center
+License: 
+                                         Apache License
+                                   Version 2.0, January 2004
+                                http://www.apache.org/licenses/
+        
+           TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION
+        
+           1. Definitions.
+        
+              "License" shall mean the terms and conditions for use, reproduction,
+              and distribution as defined by Sections 1 through 9 of this document.
+        
+              "Licensor" shall mean the copyright owner or entity authorized by
+              the copyright owner that is granting the License.
+        
+              "Legal Entity" shall mean the union of the acting entity and all
+              other entities that control, are controlled by, or are under common
+              control with that entity. For the purposes of this definition,
+              "control" means (i) the power, direct or indirect, to cause the
+              direction or management of such entity, whether by contract or
+              otherwise, or (ii) ownership of fifty percent (50%) or more of the
+              outstanding shares, or (iii) beneficial ownership of such entity.
+        
+              "You" (or "Your") shall mean an individual or Legal Entity
+              exercising permissions granted by this License.
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+              "Source" form shall mean the preferred form for making modifications,
+              including but not limited to software source code, documentation
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+              not limited to compiled object code, generated documentation,
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+        
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+              Object form, made available under the License, as indicated by a
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+              on behalf of whom a Contribution has been received by Licensor and
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+           2. Grant of Copyright License. Subject to the terms and conditions of
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+              as of the date such litigation is filed.
+        
+           4. Redistribution. You may reproduce and distribute copies of the
+              Work or Derivative Works thereof in any medium, with or without
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+              meet the following conditions:
+        
+              (a) You must give any other recipients of the Work or
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+        
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+        
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+        
+           5. Submission of Contributions. Unless You explicitly state otherwise,
+              any Contribution intentionally submitted for inclusion in the Work
+              by You to the Licensor shall be under the terms and conditions of
+              this License, without any additional terms or conditions.
+              Notwithstanding the above, nothing herein shall supersede or modify
+              the terms of any separate license agreement you may have executed
+              with Licensor regarding such Contributions.
+        
+           6. Trademarks. This License does not grant permission to use the trade
+              names, trademarks, service marks, or product names of the Licensor,
+              except as required for reasonable and customary use in describing the
+              origin of the Work and reproducing the content of the NOTICE file.
+        
+           7. Disclaimer of Warranty. Unless required by applicable law or
+              agreed to in writing, Licensor provides the Work (and each
+              Contributor provides its Contributions) on an "AS IS" BASIS,
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+              has been advised of the possibility of such damages.
+        
+           9. Accepting Warranty or Additional Liability. While redistributing
+              the Work or Derivative Works thereof, You may choose to offer,
+              and charge a fee for, acceptance of support, warranty, indemnity,
+              or other liability obligations and/or rights consistent with this
+              License. However, in accepting such obligations, You may act only
+              on Your own behalf and on Your sole responsibility, not on behalf
+              of any other Contributor, and only if You agree to indemnify,
+              defend, and hold each Contributor harmless for any liability
+              incurred by, or claims asserted against, such Contributor by reason
+              of your accepting any such warranty or additional liability.
+        
+           END OF TERMS AND CONDITIONS
+        
+           APPENDIX: How to apply the Apache License to your work.
+        
+              To apply the Apache License to your work, attach the following
+              boilerplate notice, with the fields enclosed by brackets "[]"
+              replaced with your own identifying information. (Don't include
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+              same "printed page" as the copyright notice for easier
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+        
+           Licensed under the Apache License, Version 2.0 (the "License");
+           you may not use this file except in compliance with the License.
+           You may obtain a copy of the License at
+        
+               http://www.apache.org/licenses/LICENSE-2.0
+        
+           Unless required by applicable law or agreed to in writing, software
+           distributed under the License is distributed on an "AS IS" BASIS,
+           WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+           See the License for the specific language governing permissions and
+           limitations under the License.
+Project-URL: Homepage, https://github.com/nasa/materialite
+Project-URL: Repository, https://github.com/nasa/materialite
+Project-URL: Issues, https://github.com/nasa/materialite/issues
+Classifier: License :: OSI Approved :: Apache Software License
+Classifier: Programming Language :: Python :: 3
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy
+Requires-Dist: pandas
+Requires-Dist: scipy
+Requires-Dist: matplotlib
+Requires-Dist: h5py
+Requires-Dist: pyvista
+Requires-Dist: trame
+Requires-Dist: trame-vtk
+Requires-Dist: trame-vuetify
+Requires-Dist: trame-components
+Requires-Dist: vtk
+Requires-Dist: numba
+Requires-Dist: tqdm
+Provides-Extra: gpu
+Requires-Dist: cupy; extra == "gpu"
+Provides-Extra: dev
+Requires-Dist: pytest; extra == "dev"
+Requires-Dist: pytest-mock; extra == "dev"
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+Dynamic: license-file
+
+# Materialite *(Alpha Release)* 
+
+[![License: Apache 2.0](https://img.shields.io/badge/License-Apache_2.0-blue.svg)](https://opensource.org/licenses/Apache-2.0)
+![Status](https://img.shields.io/badge/status-alpha-red)
+
+**Streamlined Microstructure Modeling for Materials Science and Mechanics**
+
+## Overview
+
+Materialite is a Python package that aims to integrate the fragmented landscape of microstructure modeling tools into a unified framework for materials science and mechanics research.
+
+## Purpose
+
+Researchers in computational materials science currently rely on a patchwork of disconnected tools—MATLAB scripts, Fortran codes, C++ solvers, and various Python libraries—that are often not user-friendly and don't communicate well with each other. Entirely written in Python, Materialite provides:
+
+- **Unified data structure** that works across different modeling approaches
+- **Streamlined workflows** from manufacturing processes to microstructure formation to mechanical properties
+- **Simplified interfaces** for complex operations like tensor math and crystallography
+- **Data exchange** with established tools (e.g. DREAM.3D, EVP-FFT)
+
+## Current Models
+
+- **Process Models**: Grain coarsening, laser heating temperature fields, microstructure evolution from laser melting
+- **Mechanical Solvers**: Taylor model and small-strain FFT (Fast Fourier Transform) solver for crystal elasticity and plasticity
+- **Constitutive Models**: Elasticity, rate-independent plasticity, elasto-viscoplasticity with multiple hardening laws
+
+## Documentation
+
+Documentation, demos, and examples are available at [https://nasa.github.io/materialite](https://nasa.github.io/materialite).
+
+## Installation
+
+> **⚠️ ALPHA RELEASE:** This package is under active development. APIs and interfaces are subject to breaking changes without notice. Not recommended for production use.
+
+*Clone and cd into the repository*
+```bash
+git clone https://github.com/nasa/materialite.git
+```
+
+```bash
+cd materialite
+```
+
+*Create and activate conda environment*
+```bash
+conda env create -f environment.yml
+```
+
+```bash
+conda activate materialite
+```
+
+*Future releases will be available on conda-forge and PyPI.*
+
+
+## Simple Example
+
+Run a basic process-structure-property simulation using `Materialite`.
+
+Import the core `Material` object, some models, and other required objects for model inputs.
+
+```python
+from materialite import Material, Order4SymmetricTensor
+from materialite.models import GrainCoarseningModel
+from materialite.models.small_strain_fft import SmallStrainFFT, Elastic, LoadSchedule
+```
+
+Create a default material (generates a 16 x 16 x 16 point grid).
+
+```python
+material = Material()
+```
+
+Create a model for grain coarsening (`GrainCoarseningModel` is a Potts Monte Carlo-based model).
+
+```python
+grain_coarsening_model = GrainCoarseningModel(num_flip_attempts=10**5)
+```
+
+Run the grain coarsening model, and assign random orientations to the grains in the `Material` that is returned by the model.
+
+```python
+material = grain_coarsening_model(material)
+material = material.assign_random_orientations(region_label="grain")
+```
+
+Plot the grain ID values.
+
+```python
+material.plot("grain")
+```
+
+![png](docs/resources/simple_example_grain.png)
+
+Create a model that will simulate uniaxial tension (`SmallStrainFFT` is an FFT-based full-field mechanical simulation).
+
+```python
+stiffness = Order4SymmetricTensor.from_cubic_constants(C11=250, C12=150, C44=120)
+constant_strain_rate = LoadSchedule.from_constant_uniaxial_strain_rate(
+    magnitude=0.001, direction="x"
+)
+mechanical_model = SmallStrainFFT(
+    load_schedule=constant_strain_rate, constitutive_model=Elastic(stiffness=stiffness)
+)
+```
+
+Run the model.
+
+```python
+material = mechanical_model(material)
+```
+
+Plot the stress field in the loading direction.
+
+```python
+material.plot("stress", component=0)
+```
+
+![png](docs/resources/simple_example_stress_xx.png)
+
+## Development Status
+
+This alpha release provides basic functionality for microstructure modeling workflows. Internally at NASA, further capabilities exist in the pipeline for release. Development and release priorities depend on community needs and contributor availability.
+
+## Contributing
+
+Contributions are welcome! Please see our [Contributing Guidelines](CONTRIBUTING.md) for more information.
+
+## License
+
+© Copyright 2025 United States Government as represented by the Administrator of the National Aeronautics and Space Administration.  All Rights Reserved.
+
+The Materialite platform is licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at [http://www.apache.org/licenses/LICENSE-2.0](http://www.apache.org/licenses/LICENSE-2.0).
+
+Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.
+
+## Contact & Support
+
+**Have feedback or found issues?** Please use our [GitHub issue tracker](https://github.com/nasa/materialite/issues) - we're actively monitoring and responding to user input.