PyPowder 0.0.0a6__tar.gz → 1.0__tar.gz

pypowder-1.0/.github/workflows/python-app.yml

@@ -0,0 +1,39 @@
+# This workflow will install Python dependencies, run tests and lint with a single version of Python
+# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python
+
+name: Python application
+
+on:
+  push:
+    branches: [ "main", "qol" ]
+  pull_request:
+    branches: [ "qol" ]
+
+permissions:
+  contents: read
+
+jobs:
+  build:
+
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python 3.9
+      uses: actions/setup-python@v3
+      with:
+        python-version: "3.9"
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install flake8 pytest
+        pip install .
+    - name: Lint with flake8
+      run: |
+        # stop the build if there are Python syntax errors or undefined names
+        flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
+        # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
+        flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
+    - name: Test with pytest
+      run: |
+        pytest

{pypowder-0.0.0a6 → pypowder-1.0}/.github/workflows/python-publish.yml

@@ -16,8 +16,30 @@ permissions:
   contents: read
 
 jobs:
+  test:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.9"
+
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install pytest
+          # NOTE: Adjust the following line to install your package and its test dependencies. 
+          # For example, if you use a requirements file: pip install -r requirements.txt
+          pip install . 
+
+      - name: Test with pytest
+        run: |
+          pytest
+
   release-build:
     runs-on: ubuntu-latest
+    needs: test
 
     steps:
       - uses: actions/checkout@v4
@@ -68,3 +90,4 @@ jobs:
         uses: pypa/gh-action-pypi-publish@release/v1
         with:
           packages-dir: dist/
+

{pypowder-0.0.0a6 → pypowder-1.0}/PKG-INFO

@@ -1,12 +1,12 @@
 Metadata-Version: 2.4
 Name: PyPowder
-Version: 0.0.0a6
+Version: 1.0
 Summary: Attempt at constructing a set of tools to convert XRDML files to a more usable format.
 Author: Diogo Almeida, Max Pelly
 Maintainer-email: Diogo Almeida <dafda1@st-andrews.ac.uk>
 License-Expression: GPL-3.0-or-later
-Project-URL: Homepage, https://github.com/MaxPelly/PyPOW
-Project-URL: Issues, https://github.com/MaxPelly/PyPOW/issues
+Project-URL: Homepage, https://github.com/dafda1/PyPOW
+Project-URL: Issues, https://github.com/dafda1/PyPOW/issues
 Classifier: Programming Language :: Python :: 3
 Classifier: Operating System :: OS Independent
 Requires-Python: >=3.9
@@ -21,3 +21,7 @@ Dynamic: license-file
  Attempt at constructing a set of tools to convert XRDML files to a more usable format,
  developed for *_1.XRDML files as generated by PANanalytical Empyrian Cu-Kalpha diffractometers
  JOHN and PAUL at the University of St Andrews.
+
+## Contributions
+Thanks to Max Pelly for
+- restructuring files for deployment (ongoing with conda-forge)

{pypowder-0.0.0a6 → pypowder-1.0}/README.md

@@ -2,3 +2,7 @@
  Attempt at constructing a set of tools to convert XRDML files to a more usable format,
  developed for *_1.XRDML files as generated by PANanalytical Empyrian Cu-Kalpha diffractometers
  JOHN and PAUL at the University of St Andrews.
+
+## Contributions
+Thanks to Max Pelly for
+- restructuring files for deployment (ongoing with conda-forge)

{pypowder-0.0.0a6 → pypowder-1.0}/pyproject.toml

@@ -5,12 +5,12 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "PyPowder"
 dynamic = ["version"]
-authors = [
-  { name="Diogo Almeida"},
-  { name="Max Pelly"},
-]
 maintainers = [
-	{ name="Diogo Almeida", email="dafda1@st-andrews.ac.uk" }
+  { name="Diogo Almeida", email="dafda1@st-andrews.ac.uk" },
+]
+authors = [
+  { name="Diogo Almeida" },
+  { name="Max Pelly" },
 ]
 description = "Attempt at constructing a set of tools to convert XRDML files to a more usable format."
 readme = "README.md"
@@ -28,8 +28,8 @@ license = "GPL-3.0-or-later"
 license-files = ["LICEN[CS]E*"]
 
 [project.urls]
-Homepage = "https://github.com/MaxPelly/PyPOW"
-Issues = "https://github.com/MaxPelly/PyPOW/issues"
+Homepage = "https://github.com/dafda1/PyPOW"
+Issues = "https://github.com/dafda1/PyPOW/issues"
 
 [project.scripts]
 PyPOW = "PyPOW.__main__:convert_files"

{pypowder-0.0.0a6 → pypowder-1.0}/src/PyPOW/__main__.py

@@ -11,7 +11,7 @@ import numpy as np
 from PyPOW.import_module import import_xrdml_data
 from PyPOW.import_module import extract_intended_wavelength as get_wvl
 
-from sys import argv
+import sys
 
 #%% define conversion functions
 
@@ -39,10 +39,10 @@ def convert_file (filename):
 #%% run conversions
 def convert_files():
 
-    if len(argv) < 2:
+    if len(sys.argv) < 2:
         raise ValueError("Must specify filenames to convert.")
     else:
-        files_to_convert = argv[1:]
+        files_to_convert = sys.argv[1:]
 
     for filename in files_to_convert:
         print(f">> Converting file {filename}.")

{pypowder-0.0.0a6 → pypowder-1.0}/src/PyPOW/__version__.py

@@ -18,7 +18,7 @@ version_tuple: tuple[int | str, ...]
 commit_id: str | None
 __commit_id__: str | None
 
-__version__ = version = '0.0.0a6'
-__version_tuple__ = version_tuple = (0, 0, 0, 'a6')
+__version__ = version = '1.0'
+__version_tuple__ = version_tuple = (1, 0)
 
-__commit_id__ = commit_id = 'g76a837c19'
+__commit_id__ = commit_id = 'g7c3287c97'

{pypowder-0.0.0a6 → pypowder-1.0}/src/PyPowder.egg-info/PKG-INFO

@@ -1,12 +1,12 @@
 Metadata-Version: 2.4
 Name: PyPowder
-Version: 0.0.0a6
+Version: 1.0
 Summary: Attempt at constructing a set of tools to convert XRDML files to a more usable format.
 Author: Diogo Almeida, Max Pelly
 Maintainer-email: Diogo Almeida <dafda1@st-andrews.ac.uk>
 License-Expression: GPL-3.0-or-later
-Project-URL: Homepage, https://github.com/MaxPelly/PyPOW
-Project-URL: Issues, https://github.com/MaxPelly/PyPOW/issues
+Project-URL: Homepage, https://github.com/dafda1/PyPOW
+Project-URL: Issues, https://github.com/dafda1/PyPOW/issues
 Classifier: Programming Language :: Python :: 3
 Classifier: Operating System :: OS Independent
 Requires-Python: >=3.9
@@ -21,3 +21,7 @@ Dynamic: license-file
  Attempt at constructing a set of tools to convert XRDML files to a more usable format,
  developed for *_1.XRDML files as generated by PANanalytical Empyrian Cu-Kalpha diffractometers
  JOHN and PAUL at the University of St Andrews.
+
+## Contributions
+Thanks to Max Pelly for
+- restructuring files for deployment (ongoing with conda-forge)

{pypowder-0.0.0a6 → pypowder-1.0}/src/PyPowder.egg-info/SOURCES.txt

@@ -4,6 +4,8 @@ LICENCE
 README.md
 RunConversion.bat
 pyproject.toml
+working_example.py
+.github/workflows/python-app.yml
 .github/workflows/python-publish.yml
 src/PyPOW/__init__.py
 src/PyPOW/__main__.py
@@ -19,7 +21,6 @@ src/PyPowder.egg-info/scm_version.json
 src/PyPowder.egg-info/top_level.txt
 tests/ASG1_1.XRDML
 tests/ASG1_1.csv
-tests/ASG1_1.gsas
 tests/ASG1_1.xy
-tests/lab.py
-tests/working_example.py
+tests/test___main__.py
+tests/test_import_module.py

{pypowder-0.0.0a6 → pypowder-1.0}/src/PyPowder.egg-info/scm_file_list.json

@@ -1,20 +1,21 @@
 {
   "files": [
-    "README.md",
     "LICENCE",
-    "pyproject.toml",
+    ".gitignore",
     "RunConversion.bat",
+    "README.md",
+    "working_example.py",
     ".gitattributes",
-    ".gitignore",
-    "src/PyPOW/__init__.py",
+    "pyproject.toml",
     "src/PyPOW/import_module.py",
     "src/PyPOW/__main__.py",
-    "tests/lab.py",
+    "src/PyPOW/__init__.py",
+    ".github/workflows/python-app.yml",
+    ".github/workflows/python-publish.yml",
     "tests/ASG1_1.csv",
+    "tests/test___main__.py",
+    "tests/test_import_module.py",
     "tests/ASG1_1.XRDML",
-    "tests/ASG1_1.gsas",
-    "tests/working_example.py",
-    "tests/ASG1_1.xy",
-    ".github/workflows/python-publish.yml"
+    "tests/ASG1_1.xy"
   ]
 }

pypowder-1.0/src/PyPowder.egg-info/scm_version.json

@@ -0,0 +1,8 @@
+{
+  "tag": "1.0",
+  "distance": 0,
+  "node": "g7c3287c977adcba78abd3d97d7bf6fcb7d2560a5",
+  "dirty": false,
+  "branch": "HEAD",
+  "node_date": "2026-07-16"
+}