nomad-material-processing 1.0.5__tar.gz → 1.0.6__tar.gz

nomad_material_processing-1.0.6/.github/workflows/mkdocs-deploy.yml

@@ -0,0 +1,34 @@
+name: Deploy MkDocs Site
+
+on:
+  push:
+    branches:
+      - main  # Triggers deployment on push to the main branch
+
+env:
+  REGISTRY: ghcr.io
+  UV_VERSION: 0.6
+  PYTHON_VERSION: 3.12
+  UV_SYSTEM_PYTHON: true
+
+jobs:
+  deploy:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v4
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v5
+        with:
+          version: ${{ env.UV_VERSION }}
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ env.PYTHON_VERSION }}
+
+      - name: Build and Deploy
+        run: |
+          uv run --extra dev mkdocs gh-deploy --force --remote-branch gh-pages

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/.github/workflows/python-test.yml

@@ -21,7 +21,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python_version: ["3.9", "3.10", "3.11"]
+        python_version: ["3.10", "3.11", "3.12"]
     steps:
     - uses: actions/checkout@v4
     - name: Set up Python ${{matrix.python_version}}

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.2
+Metadata-Version: 2.4
 Name: nomad-material-processing
-Version: 1.0.5
+Version: 1.0.6
 Summary: A plugin for NOMAD containing base sections for material processing.
 Author: Andrea Albino, Sebastian Brückner, Michael Götte, Ahmed Ilyas, Sarthak Kapoor, José A. Márquez, Hampus Näsström, Markus Scheidgen
 Author-email: fairmat@physik.hu-berlin.de
@@ -212,18 +212,24 @@ Project-URL: Bug Tracker, https://github.com/FAIRmat-NFDI/nomad-material-process
 Classifier: Intended Audience :: Developers
 Classifier: Operating System :: OS Independent
 Classifier: Programming Language :: Python
-Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
 Classifier: Programming Language :: Python :: 3.12
 Classifier: License :: OSI Approved :: Apache Software License
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: nomad-lab>=1.3.6
+Requires-Dist: nomad-lab>=1.3.14
 Provides-Extra: dev
 Requires-Dist: pytest; extra == "dev"
 Requires-Dist: ruff; extra == "dev"
 Requires-Dist: structlog; extra == "dev"
+Requires-Dist: nomad-docs>=0.1.3; extra == "dev"
+Requires-Dist: mkdocs; extra == "dev"
+Requires-Dist: mkdocs-material>=9.0; extra == "dev"
+Requires-Dist: pymdown-extensions; extra == "dev"
+Requires-Dist: mkdocs-click; extra == "dev"
+Requires-Dist: mkdocs-macros-plugin>=1.0; extra == "dev"
+Dynamic: license-file
 
 ![](https://github.com/FAIRmat-NFDI/nomad-material-processing/actions/workflows/publish.yml/badge.svg)
 ![](https://img.shields.io/pypi/pyversions/nomad-material-processing)

nomad_material_processing-1.0.6/docs/main.py

@@ -0,0 +1 @@
+from nomad_docs import define_env  # noqa: F401

nomad_material_processing-1.0.6/docs/reference/schemas/combinatorial.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.combinatorial') }}

nomad_material_processing-1.0.6/docs/reference/schemas/crystal_growth.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.crystal_growth') }}

nomad_material_processing-1.0.6/docs/reference/schemas/epitaxy.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.epitaxy') }}

nomad_material_processing-1.0.6/docs/reference/schemas/general.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.general') }}

nomad_material_processing-1.0.6/docs/reference/schemas/solution/general.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.solution.general') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/cvd/general.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.cvd.general') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/cvd/movpe.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.cvd.movpe') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/general.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.general') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/pvd/general.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.pvd.general') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/pvd/mbe.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.pvd.mbe') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/pvd/pld.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.pvd.pld') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/pvd/sputtering.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.pvd.sputtering') }}

nomad_material_processing-1.0.6/docs/reference/schemas/vapor_deposition/pvd/thermal.md

@@ -0,0 +1 @@
+{{ metainfo_package('nomad_material_processing.vapor_deposition.pvd.thermal') }}

nomad_material_processing-1.0.6/docs/reference/schemas.md

@@ -0,0 +1,15 @@
+## General
+
+{{ metainfo_package('nomad_material_processing.general') }}
+
+## Crystal growth
+
+{{ metainfo_package('nomad_material_processing.crystal_growth') }}
+
+## Epitaxy
+
+{{ metainfo_package('nomad_material_processing.epitaxy') }}
+
+## Combinatorial
+
+{{ metainfo_package('nomad_material_processing.combinatorial') }}

nomad_material_processing-1.0.6/docs/reference/solution.md

@@ -0,0 +1,3 @@
+## General
+
+{{ metainfo_package('nomad_material_processing.solution.general') }}

nomad_material_processing-1.0.6/docs/reference/vapor_depostion.md

@@ -0,0 +1,3 @@
+## General
+
+{{ metainfo_package('nomad_material_processing.vapor_deposition.general') }}

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/mkdocs.yml

@@ -14,11 +14,32 @@ nav:
     - Install this Plugin: how_to/install.md
     - Use this Plugin: how_to/use_this_plugin.md
     - Contribute to this Plugin: how_to/develop.md
-  - References: reference/references.md
+  - Reference: 
+    - Glossary: reference/references.md
+    - Schemas: 
+      - reference/schemas/general.md
+      - reference/schemas/combinatorial.md
+      - reference/schemas/epitaxy.md
+      - reference/schemas/crystal_growth.md
+      - Solution:
+        - reference/schemas/solution/general.md
+      - Vapor Deposition:
+        - reference/schemas/vapor_deposition/general.md
+        - CVD:
+          - reference/schemas/vapor_deposition/cvd/general.md
+          - reference/schemas/vapor_deposition/cvd/movpe.md
+        - PVD:
+          - reference/schemas/vapor_deposition/pvd/general.md
+          - reference/schemas/vapor_deposition/pvd/sputtering.md
+          - reference/schemas/vapor_deposition/pvd/thermal.md
+          - reference/schemas/vapor_deposition/pvd/pld.md
+          - reference/schemas/vapor_deposition/pvd/mbe.md
   - Tutorials: tutorial/tutorial.md
   - Contact: contact.md
 plugins:
  - search
+ - macros:
+    module_name: docs/main
 theme:
   name: material
   palette:

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/pyproject.toml

@@ -10,7 +10,6 @@ classifiers = [
     "Intended Audience :: Developers",
     "Operating System :: OS Independent",
     "Programming Language :: Python",
-    "Programming Language :: Python :: 3.9",
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
     "Programming Language :: Python :: 3.12",
@@ -36,7 +35,7 @@ maintainers = [
 ]
 license = { file = "LICENSE" }
 dependencies = [
-    "nomad-lab>=1.3.6",
+    "nomad-lab >= 1.3.14",
 ]
 
 [project.urls]
@@ -52,6 +51,12 @@ dev = [
     "pytest",
     "ruff",
     "structlog",
+    "nomad-docs>=0.1.3",
+    "mkdocs",
+    "mkdocs-material>=9.0",
+    "pymdown-extensions",
+    "mkdocs-click",
+    "mkdocs-macros-plugin>=1.0",
 ]
 
 [tool.ruff]
@@ -101,6 +106,7 @@ select = [
 
 ignore = [
     "F403", # 'from module import *' used; unable to detect undefined names
+    "PLC0415", # `import` should be at the top-level of a file
 ]
 
 fixable = ["ALL"]

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/src/nomad_material_processing/general.py

@@ -1,13 +1,5 @@
 from typing import TYPE_CHECKING
 
-if TYPE_CHECKING:
-    from nomad.datamodel.datamodel import (
-        EntryArchive,
-    )
-    from structlog.stdlib import (
-        BoundLogger,
-    )
-
 import numpy as np
 from nomad.config import config
 from nomad.datamodel.data import ArchiveSection, EntryData
@@ -38,6 +30,15 @@ from nomad.metainfo import (
     SubSection,
 )
 
+if TYPE_CHECKING:
+    from nomad.datamodel.datamodel import (
+        EntryArchive,
+    )
+    from structlog.stdlib import (
+        BoundLogger,
+    )
+
+
 m_package = SchemaPackage(
     aliases=[
         'nomad_material_processing',
@@ -968,14 +969,20 @@ class ThinFilmStack(CompositeSystem):
             logger (BoundLogger): A structlog logger.
         """
         self.components = []
+        if self.substrate and self.substrate.reference:
+            self.components.append(
+                SystemComponent(
+                    name=self.substrate.name, system=self.substrate.reference
+                )
+            )
         if self.layers:
-            self.components = [
-                SystemComponent(system=layer.reference)
-                for layer in self.layers
-                if layer.reference
-            ]
-        if self.substrate.reference:
-            self.components.append(SystemComponent(system=self.substrate.reference))
+            self.components.extend(
+                [
+                    SystemComponent(name=layer.name, system=layer.reference)
+                    for layer in self.layers
+                    if layer.reference
+                ]
+            )
         super().normalize(archive, logger)
 
 

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/src/nomad_material_processing/solution/general.py

@@ -1,4 +1,4 @@
-from typing import TYPE_CHECKING, Union
+from typing import TYPE_CHECKING
 
 from nomad.datamodel.data import (
     ArchiveSection,
@@ -247,7 +247,7 @@ class SolutionComponent(PureSubstanceComponent, BaseSolutionComponent):
     molar_concentration = SubSection(section_def=MolarConcentration)
     pure_substance = SubSection(section_def=PubChemPureSubstanceSection)
 
-    def _calculate_moles(self, logger: 'BoundLogger' = None) -> Union[Quantity, None]:
+    def _calculate_moles(self, logger: 'BoundLogger' = None) -> Quantity | None:
         """
         A private method to calculate the moles of a component in the solution.
 

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/src/nomad_material_processing/vapor_deposition/cvd/general.py

@@ -437,6 +437,13 @@ class FlashSource(CVDSource):
         Example: A heater, a filament, a laser, a bubbler, etc.
         """,
     )
+    peristaltic_pump_flux = SubSection(
+        section_def=VolumetricFlowRate,
+        description="""
+        The flux of the peristaltic pump 
+        feeding into the flash evaporator.
+        """,
+    )
 
 
 class MistSource(CVDSource):

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/src/nomad_material_processing.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.2
+Metadata-Version: 2.4
 Name: nomad-material-processing
-Version: 1.0.5
+Version: 1.0.6
 Summary: A plugin for NOMAD containing base sections for material processing.
 Author: Andrea Albino, Sebastian Brückner, Michael Götte, Ahmed Ilyas, Sarthak Kapoor, José A. Márquez, Hampus Näsström, Markus Scheidgen
 Author-email: fairmat@physik.hu-berlin.de
@@ -212,18 +212,24 @@ Project-URL: Bug Tracker, https://github.com/FAIRmat-NFDI/nomad-material-process
 Classifier: Intended Audience :: Developers
 Classifier: Operating System :: OS Independent
 Classifier: Programming Language :: Python
-Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
 Classifier: Programming Language :: Python :: 3.12
 Classifier: License :: OSI Approved :: Apache Software License
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: nomad-lab>=1.3.6
+Requires-Dist: nomad-lab>=1.3.14
 Provides-Extra: dev
 Requires-Dist: pytest; extra == "dev"
 Requires-Dist: ruff; extra == "dev"
 Requires-Dist: structlog; extra == "dev"
+Requires-Dist: nomad-docs>=0.1.3; extra == "dev"
+Requires-Dist: mkdocs; extra == "dev"
+Requires-Dist: mkdocs-material>=9.0; extra == "dev"
+Requires-Dist: pymdown-extensions; extra == "dev"
+Requires-Dist: mkdocs-click; extra == "dev"
+Requires-Dist: mkdocs-macros-plugin>=1.0; extra == "dev"
+Dynamic: license-file
 
 ![](https://github.com/FAIRmat-NFDI/nomad-material-processing/actions/workflows/publish.yml/badge.svg)
 ![](https://img.shields.io/pypi/pyversions/nomad-material-processing)

{nomad_material_processing-1.0.5 → nomad_material_processing-1.0.6}/src/nomad_material_processing.egg-info/SOURCES.txt

@@ -11,6 +11,7 @@ setup.py
 .vscode/settings.json
 docs/contact.md
 docs/index.md
+docs/main.py
 docs/assets/.gitignore
 docs/assets/favicon.png
 docs/assets/levelsschema.png
@@ -26,6 +27,22 @@ docs/how_to/install.md
 docs/how_to/use_this_plugin.md
 docs/how_to/use_this_plugin_old.md
 docs/reference/references.md
+docs/reference/schemas.md
+docs/reference/solution.md
+docs/reference/vapor_depostion.md
+docs/reference/schemas/combinatorial.md
+docs/reference/schemas/crystal_growth.md
+docs/reference/schemas/epitaxy.md
+docs/reference/schemas/general.md
+docs/reference/schemas/solution/general.md
+docs/reference/schemas/vapor_deposition/general.md
+docs/reference/schemas/vapor_deposition/cvd/general.md
+docs/reference/schemas/vapor_deposition/cvd/movpe.md
+docs/reference/schemas/vapor_deposition/pvd/general.md
+docs/reference/schemas/vapor_deposition/pvd/mbe.md
+docs/reference/schemas/vapor_deposition/pvd/pld.md
+docs/reference/schemas/vapor_deposition/pvd/sputtering.md
+docs/reference/schemas/vapor_deposition/pvd/thermal.md
 docs/stylesheets/extra.css
 docs/theme/partials/header.html
 docs/tutorial/tutorial.md

nomad_material_processing-1.0.6/src/nomad_material_processing.egg-info/requires.txt

@@ -0,0 +1,12 @@
+nomad-lab>=1.3.14
+
+[dev]
+pytest
+ruff
+structlog
+nomad-docs>=0.1.3
+mkdocs
+mkdocs-material>=9.0
+pymdown-extensions
+mkdocs-click
+mkdocs-macros-plugin>=1.0

nomad_material_processing-1.0.5/.github/workflows/mkdocs-deploy.yml

@@ -1,28 +0,0 @@
-name: Deploy MkDocs Site
-
-on:
-  push:
-    branches:
-      - main  # Triggers deployment on push to the main branch
-
-jobs:
-  deploy:
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Checkout Repository
-        uses: actions/checkout@v4
-
-      - name: Set up Python
-        uses: actions/setup-python@v4
-        with:
-          python-version: '3.x'
-
-      - name: Install Dependencies
-        run: |
-          python -m pip install --upgrade pip
-          pip install mkdocs mkdocs-material==8.1.1 pymdown-extensions mkdocs-click
-
-      - name: Build and Deploy
-        run: |
-          mkdocs gh-deploy --force --remote-branch gh-pages

nomad_material_processing-1.0.5/src/nomad_material_processing.egg-info/requires.txt

@@ -1,6 +0,0 @@
-nomad-lab>=1.3.6
-
-[dev]
-pytest
-ruff
-structlog