Streamlined installation using official structure module

.github/workflows/build.yaml

@@ -8,7 +8,7 @@ jobs:
       max-parallel: 4
       matrix:
         python-version: ['3.9', '3.10', '3.11']
-        os: [ubuntu-latest, macos-latest, windows-latest]
+        os: [ubuntu-latest, macos-12, windows-latest]
 
     runs-on: ${{ matrix.os }}
     steps:
@@ -30,7 +30,7 @@ jobs:
         conda install -c conda-forge gsl
         conda install -c conda-forge pycifrw
         conda install -c conda-forge six
-        pip install "diffpy.structure==0.0.0" --index-url https://easyscience.github.io/pypi
+        conda install -c conda-forge diffpy.structure
 
     - name: Build wheels
       run: |
@@ -52,8 +52,8 @@ jobs:
         replacesArtifacts: true
         token: ${{ secrets.GITHUB_TOKEN }}
         artifacts: ${{ github.workspace }}/dist/*.whl
-        tag: 0.0.0
-        body: This is an alpha build of the pdffit2 library (0.0.0)
+        tag: 0.0.1
+        body: This is an alpha build of the pdffit2 library (0.0.1)
 
     - name: Checkout target repo
       uses: actions/checkout@v4
@@ -66,23 +66,4 @@ jobs:
         repository: ${{ env.REPO }}
         path: ${{ env.REPO_PATH }}
         ref: "master"  # temporarily, switch branch from master
-    # - name: Copy index to new repo
-    #   env:
-    #     SOURCE: index.html
-    #     TARGET: pypi/diffpy-pdffit2/
-    #   run: cp ${{ env.SOURCE }} ${{ env.TARGET }}
-    # - name: Push
-    #   shell: bash
-    #   env:
-    #     REPO_PATH: pypi
-    #     GIT_USERNAME: action
-    #     GIT_EMAIL: action@github.com
-    #   run: |
-    #     cd ${{ env.REPO_PATH }}
-    #     git config --local user.name "${{ env.GIT_USERNAME }}"
-    #     git config --local user.email "${{ env.GIT_EMAIL }}"
-    #     git add .
-    #     if [[ `git status --porcelain` ]]; then
-    #       git commit -m "Github Actions Automatically Built in `date +"%Y-%m-%d %H:%M"`"
-    #       git push
-    #     fi
+

README.rst

@@ -59,10 +59,9 @@ INSTALLATION
 ------------------------------------------------------------------------
 
 The preferred method is to use Anaconda Python and install from the
-"diffpy" channel of Anaconda packages ::
+"conda-forge" channel of Anaconda packages ::
 
-   conda config --add channels diffpy
-   conda install diffpy.pdffit2
+   conda install -c conda-forge diffpy.pdffit2
 
 If you don't use Anaconda or prefer to install from sources, make
 sure the required software is in place and run ::

conda-recipe/conda_build_config.yaml

@@ -1,4 +1,9 @@
 python:
+  - 3.12
+  - 3.11
+  - 3.10
+  - 3.9
+  - 3.8
   - 3.7
   - 3.6
   - 3.5

conda-recipe/meta.yaml

@@ -28,7 +28,7 @@ requirements:
     - python
     - setuptools
     - six
-    - diffpy.structure ==0.0.0
+    - diffpy.structure >=3
 
 test:
   # Python imports

setup.py

@@ -20,7 +20,7 @@
 
 # Use this version when git data are not available, like in git zip archive.
 # Update when tagging a new release.
-FALLBACK_VERSION = '0.0.0'
+FALLBACK_VERSION = '0.0.1'
 
 # determine if we run with Python 3.
 PY3 = (sys.version_info[0] == 3)
@@ -224,7 +224,7 @@ def get_gsl_config_win():
     data_files = data_files,
     install_requires = [
         'six',
-        'diffpy.structure==0.0.0',
+        'diffpy.structure',
     ],
     zip_safe = False,
 
@@ -254,6 +254,8 @@ def get_gsl_config_win():
         'Programming Language :: Python :: 3.8',
         'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
+        'Programming Language :: Python :: 3.11',
+        'Programming Language :: Python :: 3.12',
         'Topic :: Scientific/Engineering :: Chemistry',
         'Topic :: Scientific/Engineering :: Physics',
     ],