build: switch to setuptools_scm

.github/workflows/python-publish.yml

@@ -26,21 +26,27 @@ jobs:
       id: latestrelease
       run: |
         echo "::set-output name=releasetag::$(curl -s https://api.github.com/repos/dylanljones/lattpy/releases/latest | jq '.tag_name' | sed 's/\"//g')"
+
     - name: confirm release tag
       run: |
         echo ${{ steps.latestrelease.outputs.releasetag }}
+
     - name: checkout
       uses: actions/checkout@v2
       with:
         ref: ${{ steps.latestrelease.outputs.releasetag }}
+
     - name: Set up Python
       uses: actions/setup-python@v2
       with:
-        python-version: "3.8"
+        python-version: "3.9"
+
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
-        pip install setuptools wheel twine build
+        pip install twine
+        pip install .[build]
+
     - name: Build and publish distribution 📦 to PyPI
       env:
         TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}

.github/workflows/python-test-publish.yml

@@ -26,21 +26,27 @@ jobs:
       id: latestrelease
       run: |
         echo "::set-output name=releasetag::$(curl -s https://api.github.com/repos/dylanljones/lattpy/releases/latest | jq '.tag_name' | sed 's/\"//g')"
+
     - name: confirm release tag
       run: |
         echo ${{ steps.latestrelease.outputs.releasetag }}
+
     - name: checkout
       uses: actions/checkout@v2
       with:
         ref: ${{ steps.latestrelease.outputs.releasetag }}
+
     - name: Set up Python
       uses: actions/setup-python@v2
       with:
-        python-version: "3.8"
+        python-version: "3.9"
+
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
-        pip install setuptools wheel twine build
+        pip install twine
+        pip install .[build]
+
     - name: Build and publish distribution 📦 to Test PyPI
       env:
         TWINE_USERNAME: ${{ secrets.TEST_PYPI_USERNAME }}

.github/workflows/test.yml

@@ -2,7 +2,7 @@ name: Test
 
 on:
   push:
-    branches: [master, dev]
+    branches: [master, dev, setuptools_scm]
   pull_request:
     types: [opened]
   workflow_dispatch:
@@ -50,19 +50,24 @@ jobs:
       uses: actions/setup-python@v2
       with:
         python-version: ${{ matrix.python-version }}
-    - name: Install dependencies
+
+    - name: Build and install
       run: |
         python -m pip install --upgrade pip
-        pip install pytest pytest-cov codecov
-        pip install -r requirements.txt
-        python setup.py install
+        pip install .[test]
+
+    - name: Get package version
+      run: python setup.py --version
+
     - name: Run tests
       run: |
         pytest lattpy/ --cov=lattpy --cov-report=xml -v
+
     - name: Upload coverage to Codecov
       uses: codecov/codecov-action@v2
       with:
         env_vars: OS,PYTHON
         verbose: True
+
     - name: Coverage
       run: codecov

.gitignore

@@ -1,8 +1,27 @@
-# Specific files
+
+# -- Project gitignore -----------------------------------------------------------------
+
+master.db
+.ksy/
+dev_*.py
+decrypt_database.py
+compile_structs.bat
+.chglog/
+
+# setuptools_scm version file
+#  Use this if the project uses pyproject.toml with setuptools_scm instead of setup.py
+*/_version.py
+
+
+# -- Python gitignore ------------------------------------------------------------------
 
 # Byte-compiled / optimized / DLL files
 __pycache__/
-.idea/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
 
 # Distribution / packaging
 .Python
@@ -25,6 +44,126 @@ share/python-wheels/
 *.egg
 MANIFEST
 
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.pytest_cache/
+cover/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
+
+# pipenv
+#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
+#   However, in case of collaboration, if having platform-specific dependencies or dependencies
+#   having no cross-platform support, pipenv may install dependencies that don't work, or not
+#   install all needed dependencies.
+# Pipfile.lock
+
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+# poetry.lock
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+
+# -- LaTeX gitignore -------------------------------------------------------------------
+
 # LaTeX temporary files
 *.aux
 *.log
@@ -49,6 +188,95 @@ MANIFEST
 *.bbl
 *.blg
 
+
+# -- Sublime gitignore -----------------------------------------------------------------
+
 # Sublime Text Project Files (usually contain absolute paths)
 *.sublime-project
 *.sublime-workspace
+
+
+# -- JetBrains gitignore ---------------------------------------------------------------
+
+# Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion,
+# Android Studio, WebStorm and Rider
+# Source: https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+
+# JetBrains project folder
+.idea/
+
+# Uncomment for JetBrains specific template instead of ignoring all of .idea/
+## User-specific stuff
+#.idea/**/workspace.xml
+#.idea/**/tasks.xml
+#.idea/**/usage.statistics.xml
+#.idea/**/dictionaries
+#.idea/**/shelf
+#
+## AWS User-specific
+#.idea/**/aws.xml
+#
+## Generated files
+#.idea/**/contentModel.xml
+#
+## Sensitive or high-churn files
+#.idea/**/dataSources/
+#.idea/**/dataSources.ids
+#.idea/**/dataSources.local.xml
+#.idea/**/sqlDataSources.xml
+#.idea/**/dynamic.xml
+#.idea/**/uiDesigner.xml
+#.idea/**/dbnavigator.xml
+#
+## Gradle
+#.idea/**/gradle.xml
+#.idea/**/libraries
+#
+## Gradle and Maven with auto-import
+## When using Gradle or Maven with auto-import, you should exclude module files,
+## since they will be recreated, and may cause churn.  Uncomment if using
+## auto-import.
+## .idea/artifacts
+## .idea/compiler.xml
+## .idea/jarRepositories.xml
+## .idea/modules.xml
+## .idea/*.iml
+## .idea/modules
+## *.iml
+## *.ipr
+#
+## CMake
+#cmake-build-*/
+#
+## Mongo Explorer plugin
+#.idea/**/mongoSettings.xml
+#
+## File-based project format
+#*.iws
+#
+## IntelliJ
+#out/
+#
+## mpeltonen/sbt-idea plugin
+#.idea_modules/
+#
+## JIRA plugin
+#atlassian-ide-plugin.xml
+#
+## Cursive Clojure plugin
+#.idea/replstate.xml
+#
+## SonarLint plugin
+#.idea/sonarlint/
+#
+## Crashlytics plugin (for Android Studio and IntelliJ)
+#com_crashlytics_export_strings.xml
+#crashlytics.properties
+#crashlytics-build.properties
+#fabric.properties
+#
+## Editor-based Rest Client
+#.idea/httpRequests
+#
+## Android studio 3.1+ serialized cache file
+#.idea/caches/build_file_checksums.ser

lattpy/__init__.py

@@ -63,10 +63,11 @@
 from .structure import LatticeStructure
 from .lattice import Lattice
 
-from ._version import get_versions
+try:
+    from ._version import version as __version__
+except ImportError:
+    __version__ = "0.0.0"
 
-__version__ = get_versions()["version"]
-del get_versions
 
 # =========================================================================
 #                             1D Lattices