nomad-material-processing 0.0.9__tar.gz → 0.1.0__tar.gz

nomad_material_processing-0.1.0/.github/workflows/python-test.yml

@@ -0,0 +1,55 @@
+# This workflow will install Python dependencies, run tests, and lint with multiple version of Python
+# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python
+
+name: Python test
+
+on:
+  push:
+    branches: [ "main" ]
+  pull_request:
+    branches: [ "main" ]
+
+permissions:
+  contents: read
+
+env:
+  UV_SYSTEM_PYTHON: true
+
+jobs:
+  test:
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        python_version: ["3.9", "3.10", "3.11"]
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python ${{matrix.python_version}}
+      uses: actions/setup-python@v5
+      with:
+        python-version: ${{matrix.python_version}}
+    - name: Install uv
+      run: |
+        curl -LsSf https://astral.sh/uv/install.sh | sh
+    - name: Install dependencies
+      run: |
+        uv pip install -e '.[dev]'
+    - name: Test with pytest
+      run: |
+        pytest
+
+  ruff-linting:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: chartboost/ruff-action@v1
+        with:
+          args: "check ."
+
+  ruff-formatting:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: chartboost/ruff-action@v1
+        with:
+          args: "format . --check"

{nomad_material_processing-0.0.9 → nomad_material_processing-0.1.0}/PKG-INFO

@@ -1,8 +1,8 @@
 Metadata-Version: 2.1
 Name: nomad-material-processing
-Version: 0.0.9
+Version: 0.1.0
 Summary: A plugin for NOMAD containing base sections for material processing.
-Author-email: Hampus Näsström <hampus.naesstroem@physik.hu-berlin.de>, Andrea Albino <andrea.albino@physik.hu-berlin.de>, Sebastian Brückner <sebastian.brueckner@ikz-berlin.de>
+Author-email: Sarthak Kapoor <sarthak.kapoor@physik.hu-berlin.de>, Hampus Näsström <hampus.naesstroem@physik.hu-berlin.de>, Andrea Albino <andrea.albino@physik.hu-berlin.de>, Sebastian Brückner <sebastian.brueckner@ikz-berlin.de>
 License:                                  Apache License
                                    Version 2.0, January 2004
                                 http://www.apache.org/licenses/
@@ -207,17 +207,21 @@ License:                                  Apache License
         
 Project-URL: Homepage, https://github.com/FAIRmat-NFDI/nomad-material-processing
 Project-URL: Bug Tracker, https://github.com/FAIRmat-NFDI/nomad-material-processing/issues
-Classifier: Programming Language :: Python :: 3
-Classifier: Programming Language :: Python :: 3 :: Only
+Classifier: Intended Audience :: Developers
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python
 Classifier: Programming Language :: Python :: 3.9
-Classifier: License :: OSI Approved :: Apache Software License
-Requires-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 :: MIT License
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: nomad-lab>=1.2.1
+Requires-Dist: nomad-lab>=1.3.4dev
 Provides-Extra: dev
 Requires-Dist: pytest; extra == "dev"
-Requires-Dist: structlog>=22.3.0; extra == "dev"
+Requires-Dist: ruff; extra == "dev"
+Requires-Dist: structlog; extra == "dev"
 
 ![](https://github.com/FAIRmat-NFDI/nomad-material-processing/actions/workflows/publish.yml/badge.svg)
 ![](https://img.shields.io/pypi/pyversions/nomad-material-processing)
@@ -234,6 +238,25 @@ material processing.
 pip install nomad-material-processing
 ```
 
+### Setting up your OASIS
+Read the [NOMAD plugin documentation](https://nomad-lab.eu/prod/v1/staging/docs/plugins/plugins.html#add-a-plugin-to-your-nomad) for all details on how to deploy the plugin on your NOMAD instance.
+
+You don't need to modify the ```nomad.yaml``` configuration file of your NOMAD instance, beacuse the package is pip installed and all the available modules (entry points) are loaded.
+To include, instead, only some of the entry points, you need to specify them in the ```include``` section of the ```nomad.yaml```. In the following lines, a list of all the available entry points:
+
+```yaml
+plugins:
+  include:
+    - "nomad_material_processing:schema"
+    - "nomad_material_processing.solution:schema"
+    - "nomad_material_processing.vapor_deposition.cvd:schema"
+    - "nomad_material_processing.vapor_deposition.pvd:schema"
+    - "nomad_material_processing.vapor_deposition.pvd:mbe_schema"
+    - "nomad_material_processing.vapor_deposition.pvd:pld_schema"
+    - "nomad_material_processing.vapor_deposition.pvd:sputtering_schema"
+    - "nomad_material_processing.vapor_deposition.pvd:thermal_schema"
+ ```
+
 ### Development
 This code is currently under development and for installing and contributing you should clone the repository:
 ```sh
@@ -243,5 +266,5 @@ cd nomad-material-processing
 
 And install the package in editable mode:
 ```sh
-pip install -e .
+pip install -e .[dev] --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
 ```

nomad_material_processing-0.1.0/README.md

@@ -0,0 +1,45 @@
+![](https://github.com/FAIRmat-NFDI/nomad-material-processing/actions/workflows/publish.yml/badge.svg)
+![](https://img.shields.io/pypi/pyversions/nomad-material-processing)
+![](https://img.shields.io/pypi/l/nomad-material-processing)
+![](https://img.shields.io/pypi/v/nomad-material-processing)
+
+# NOMAD's Material Processing Plugin
+This is a plugin for [NOMAD](https://nomad-lab.eu) which contains base sections for
+material processing.
+
+## Getting started
+`nomad-material-processing` can be installed from PyPI using `pip`:
+```sh
+pip install nomad-material-processing
+```
+
+### Setting up your OASIS
+Read the [NOMAD plugin documentation](https://nomad-lab.eu/prod/v1/staging/docs/plugins/plugins.html#add-a-plugin-to-your-nomad) for all details on how to deploy the plugin on your NOMAD instance.
+
+You don't need to modify the ```nomad.yaml``` configuration file of your NOMAD instance, beacuse the package is pip installed and all the available modules (entry points) are loaded.
+To include, instead, only some of the entry points, you need to specify them in the ```include``` section of the ```nomad.yaml```. In the following lines, a list of all the available entry points:
+
+```yaml
+plugins:
+  include:
+    - "nomad_material_processing:schema"
+    - "nomad_material_processing.solution:schema"
+    - "nomad_material_processing.vapor_deposition.cvd:schema"
+    - "nomad_material_processing.vapor_deposition.pvd:schema"
+    - "nomad_material_processing.vapor_deposition.pvd:mbe_schema"
+    - "nomad_material_processing.vapor_deposition.pvd:pld_schema"
+    - "nomad_material_processing.vapor_deposition.pvd:sputtering_schema"
+    - "nomad_material_processing.vapor_deposition.pvd:thermal_schema"
+ ```
+
+### Development
+This code is currently under development and for installing and contributing you should clone the repository:
+```sh
+git clone git@github.com:FAIRmat-NFDI/nomad-material-processing.git
+cd nomad-material-processing
+```
+
+And install the package in editable mode:
+```sh
+pip install -e .[dev] --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
+```

nomad_material_processing-0.1.0/pyproject.toml

@@ -0,0 +1,135 @@
+[build-system]
+requires = [
+    "setuptools>=61.0.0",
+    "setuptools-scm>=8.0",
+]
+build-backend = "setuptools.build_meta"
+
+[project]
+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",
+    "License :: OSI Approved :: MIT License",
+]
+name = "nomad-material-processing"
+dynamic = ["version"]
+description = "A plugin for NOMAD containing base sections for material processing."
+readme = "README.md"
+authors = [
+    { name = "Sarthak Kapoor", email = 'sarthak.kapoor@physik.hu-berlin.de' },
+    { name = "Hampus Näsström", email = 'hampus.naesstroem@physik.hu-berlin.de' },
+    { name = "Andrea Albino", email = 'andrea.albino@physik.hu-berlin.de' },
+    { name = "Sebastian Brückner", email = 'sebastian.brueckner@ikz-berlin.de' },
+]
+license = { file = "LICENSE" }
+dependencies = [
+    "nomad-lab>=1.3.4dev",
+]
+
+[project.urls]
+"Homepage" = "https://github.com/FAIRmat-NFDI/nomad-material-processing"
+"Bug Tracker" = "https://github.com/FAIRmat-NFDI/nomad-material-processing/issues"
+
+[tool.uv]
+index-url = "https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple"
+
+
+[project.optional-dependencies]
+dev = [
+    "pytest",
+    "ruff",
+    "structlog",
+]
+
+[tool.ruff]
+include = ["src/*.py", "tests/*.py"]
+# Exclude a variety of commonly ignored directories.
+exclude = [
+    ".bzr",
+    ".direnv",
+    ".eggs",
+    ".git",
+    ".git-rewrite",
+    ".hg",
+    ".mypy_cache",
+    ".nox",
+    ".pants.d",
+    ".pytype",
+    ".ruff_cache",
+    ".svn",
+    ".tox",
+    ".venv",
+    "__pypackages__",
+    "_build",
+    "buck-out",
+    "build",
+    "dist",
+    "node_modules",
+    "venv",
+]
+
+# Same as Black.
+line-length = 88
+indent-width = 4
+
+[tool.ruff.lint]
+select = [
+    # pycodestyle
+    "E",
+    # Pyflakes
+    "F",
+    # pyupgrade
+    "UP",
+    # isort
+    "I",
+    # pylint
+    "PL",
+]
+
+ignore = [
+    "F403", # 'from module import *' used; unable to detect undefined names
+]
+
+fixable = ["ALL"]
+
+# Allow unused variables when underscore-prefixed.
+dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"
+
+# this is entirely optional, you can remove this if you wish to
+[tool.ruff.format]
+# use single quotes for strings.
+quote-style = "single"
+
+# indent with spaces, rather than tabs.
+indent-style = "space"
+
+# Like Black, respect magic trailing commas.
+skip-magic-trailing-comma = false
+
+# Like Black, automatically detect the appropriate line ending.
+line-ending = "auto"
+
+[tool.setuptools]
+package-dir = { "" = "src" }
+
+[tool.setuptools.packages.find]
+where = ["src"]
+
+[project.entry-points.'nomad.plugin']
+
+general_schema = "nomad_material_processing:schema"
+solution_schema = "nomad_material_processing.solution:schema"
+vd_schema = "nomad_material_processing.vapor_deposition:schema"
+cvd_schema = "nomad_material_processing.vapor_deposition.cvd:schema"
+pvd_schema = "nomad_material_processing.vapor_deposition.pvd:schema"
+mbe_schema = "nomad_material_processing.vapor_deposition.pvd:mbe_schema"
+pld_schema = "nomad_material_processing.vapor_deposition.pvd:pld_schema"
+sputtering_schema = "nomad_material_processing.vapor_deposition.pvd:sputtering_schema"
+thermal_schema = "nomad_material_processing.vapor_deposition.pvd:thermal_schema"
+
+[tool.setuptools_scm]

nomad_material_processing-0.1.0/src/nomad_material_processing/__init__.py

@@ -0,0 +1,32 @@
+#
+# Copyright The NOMAD Authors.
+#
+# This file is part of NOMAD. See https://nomad-lab.eu for further info.
+#
+# 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.
+#
+from nomad.config.models.plugins import SchemaPackageEntryPoint
+
+
+class GeneralSchemaPackageEntryPoint(SchemaPackageEntryPoint):
+    def load(self):
+        from nomad_material_processing.general import m_package
+
+        return m_package
+
+
+schema = GeneralSchemaPackageEntryPoint(
+    name='General Schema',
+    description="""Schema package containing basic classes used
+    in the nomad_material_processing plugin.""",
+)