Update for py312 (#128)

* test on Python 3.12: Update gh-ci.yaml
* bump up versioneer
* update classifiers
* fix rtd build

Author: IAlibay

.github/workflows/docs.yaml

@@ -34,7 +34,7 @@ jobs:
 
     - name: install package deps
       run: |
-        mamba install numpy scipy pytest pytest-cov codecov six sphinx
+        mamba install numpy scipy pytest pytest-cov codecov sphinx
         pip install sphinx-sitemap sphinx-rtd-theme
 
     - name: check install

.github/workflows/gh-ci.yaml

@@ -26,12 +26,12 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest, ]
-        python-version: ["3.9", "3.10", "3.11"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
         include:
           - os: windows-latest
-            python-version: "3.11"
+            python-version: "3.12"
           - os: macos-latest
-            python-version: "3.11"
+            python-version: "3.12"
 
     steps:
     - uses: actions/checkout@v2

.readthedocs.yml

@@ -0,0 +1,20 @@
+# .readthedocs.yml
+# Read the Docs configuration file
+# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details
+
+# Required
+version: 2
+
+# Build documentation in with Sphinx
+sphinx:
+  configuration: doc/source/conf.py
+
+# Set the version of Python and other tools you might need
+build:
+  os: ubuntu-22.04
+  tools:
+    python: "mambaforge-4.10"
+
+# Optionally set the version of Python and requirements required to build your docs
+conda:
+  environment: ci/environment.yaml

ci/environment.yaml

@@ -0,0 +1,12 @@
+name: griddata_env
+channels:
+  - conda-forge
+dependencies:
+  - pip
+  - numpy>=1.21
+  - scipy
+  - mrcfile
+  - sphinx<7.0
+  - pip:
+    - sphinx-sitemap
+    - sphinx-rtd-theme

gridData/__init__.py

@@ -113,7 +113,6 @@
 
 __all__ = ['Grid', 'OpenDX', 'gOpenMol', 'mrc']
 
-from ._version import get_versions
-__version__ = get_versions()['version']
-del get_versions
+from . import _version
+__version__ = _version.get_versions()['version']