Merge pull request #72 from Tieqiong/workflow

use latest workflow

.github/workflows/codecov.yml

@@ -0,0 +1,53 @@
+name: Gather coverage report and upload to codecov
+
+on:
+  push:
+    branches:
+      - main
+  release:
+    types:
+      - prereleased
+      - published
+  workflow_dispatch:
+
+defaults:
+  run:
+    shell: bash -l {0}
+
+jobs:
+  coverage:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Check out diffpy.pdffit2
+        uses: actions/checkout@v4
+
+      - name: Initialize miniconda
+        uses: conda-incubator/setup-miniconda@v3
+        with:
+          activate-environment: test
+          auto-update-conda: true
+          environment-file: environment.yml
+          auto-activate-base: false
+
+      - name: Conda config
+        run: >-
+          conda config --set always_yes yes
+          --set changeps1 no
+
+      - name: Install diffpy.pdffit2 and requirements
+        run: |
+          conda install --file requirements/run.txt
+          conda install --file requirements/test.txt
+          python -m pip install -r requirements/pip.txt
+          python -m pip install . --no-deps
+
+      - name: Validate diffpy.pdffit2
+        run: |
+          coverage run -m pytest -vv -s
+          coverage report -m
+          codecov
+
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v4
+        env:
+          CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

.github/workflows/docs.yml

@@ -1,44 +1,48 @@
-name: Build Documentation
+name: Build and Deploy Documentation
 
 on:
-  push:
-    branches:
-      - main
-      - cookie # to be removed during merge to main
   release:
+    types:
+      - published
+  workflow_dispatch:
+
+defaults:
+  run:
+    shell: bash -l {0}
 
 jobs:
-  test:
+  docs:
     runs-on: ubuntu-latest
-    defaults:
-      run:
-        shell: bash -l {0}
     steps:
-      - uses: actions/checkout@v3
-        with:
-          fetch-depth: 0
+      - name: Check out diffpy.pdffit2
+        uses: actions/checkout@v4
 
-      - uses: conda-incubator/setup-miniconda@v2
+      - name: Initialize miniconda
+        uses: conda-incubator/setup-miniconda@v3
         with:
           activate-environment: build
           auto-update-conda: true
+          environment-file: environment.yml
+          auto-activate-base: false
 
-      - name: install requirements
+      - name: Conda config
         run: >-
-          conda install -n build -c conda-forge
-          --file requirements/build.txt
-          --file requirements/run.txt
-          --file requirements/docs.txt
-          --quiet --yes
+          conda config --set always_yes yes
+          --set changeps1 no
 
-      - name: install the package
-        run: python -m pip install . --no-deps
+      - name: Install diffpy.pdffit2 and build requirements
+        run: |
+          conda install --file requirements/build.txt
+          conda install --file requirements/run.txt
+          conda install --file requirements/docs.txt
+          python -m pip install -r requirements/pip.txt
+          python -m pip install . --no-deps
 
       - name: build documents
         run: make -C doc html
 
       - name: Deploy
-        uses: peaceiris/actions-gh-pages@v3
+        uses: peaceiris/actions-gh-pages@v4
         with:
           github_token: ${{ secrets.GITHUB_TOKEN }}
           publish_dir: ./doc/build/html

.github/workflows/main.yml

@@ -1,66 +1,42 @@
-name: CI
+name: Test
 
 on:
   push:
     branches:
       - main
-      - CI
   pull_request:
   workflow_dispatch:
 
+defaults:
+  run:
+    shell: bash -l {0}
+
 jobs:
-  miniconda:
-    name: Python ${{ matrix.python-version }}, OS ${{ matrix.os }}
-    runs-on: ${{ matrix.os }}
-    strategy:
-        matrix:
-            python-version: ['3.10', '3.11', '3.12']
-            os: ["macos-latest", "ubuntu-latest", "windows-latest"]
+  validate:
+    runs-on: ubuntu-latest
     steps:
-      - name: check out diffpy.pdffit2
-        uses: actions/checkout@v3
-        with:
-          repository: diffpy/diffpy.pdffit2
-          path: .
-          fetch-depth: 0  # avoid shallow clone with no tags
+      - name: Check out diffpy.pdffit2
+        uses: actions/checkout@v4
 
-      - name: initialize miniconda
-        # this uses a marketplace action that sets up miniconda in a way that makes
-        # it easier to use.  I tried setting it up without this and it was a pain
+      - name: Initialize miniconda
         uses: conda-incubator/setup-miniconda@v3
         with:
-          miniconda-version: "latest"
           activate-environment: test
-          # environment.yml file is needed by this action.  Because I don't want
-          # maintain this but rather maintain the requirements files it just has
-          # basic things in it like conda and pip
+          auto-update-conda: true
           environment-file: environment.yml
-          python-version: ${{ matrix.python-version }}
           auto-activate-base: false
 
-      - name: install diffpy.pdffit2 requirements
-        shell: bash -l {0}
+      - name: Conda config
+        run: >-
+          conda config --set always_yes yes
+          --set changeps1 no
+
+      - name: Install diffpy.pdffit2 and requirements
         run: |
-          conda config --set always_yes yes --set changeps1 no
-          conda config --add channels conda-forge
-          conda activate test
-          conda install --file requirements/build.txt
           conda install --file requirements/run.txt
           conda install --file requirements/test.txt
-          pip install .
-      - name: Validate diffpy.pdffit2
-        shell: bash -l {0}
-        run: |
-          conda activate test
-          coverage run src/diffpy/pdffit2/tests/run.py
-          coverage report -m
-          codecov
+          python -m pip install -r requirements/pip.txt
+          python -m pip install . --no-deps
 
-# Use this after migrating to pytest
-#      - name: Validate diffpy.pdffit2
-#          shell: bash -l {0}
-#          run: |
-#            conda activate test
-#            coverage run -m pytest -vv -s
-#            coverage report -m
-#            codecov
+      - name: Validate diffpy.pdffit2
+        run: python -m pytest

.github/workflows/matrix.yml

@@ -0,0 +1,47 @@
+name: Matrix test
+
+on:
+  push:
+    branches:
+      - main
+  workflow_dispatch:
+
+defaults:
+  run:
+    shell: bash -l {0}
+
+jobs:
+  test:
+    name: Python ${{ matrix.python-version }}, OS ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+        matrix:
+            python-version: ['3.10', '3.11', '3.12']
+            os: ["macos-latest", "ubuntu-latest", "windows-latest"]
+    steps:
+      - name: check out diffpy.pdffit2
+        uses: actions/checkout@v4
+
+      - name: Initialize miniconda
+        uses: conda-incubator/setup-miniconda@v3
+        with:
+          activate-environment: test
+          auto-update-conda: true
+          environment-file: environment.yml
+          python-version: ${{ matrix.python-version }}
+          auto-activate-base: false
+
+      - name: Conda config
+        run: >-
+          conda config --set always_yes yes
+          --set changeps1 no
+
+      - name: Install diffpy.pdffit2 and requirements
+        run: |
+          conda install --file requirements/run.txt
+          conda install --file requirements/test.txt
+          python -m pip install -r requirements/pip.txt
+          python -m pip install . --no-deps
+
+      - name: Validate diffpy.pdffit2
+        run: python -m pytest