First version for CI, similar to pymeasure.

.github/pytest.json

@@ -0,0 +1,23 @@
+{
+    "problemMatcher": [
+        {
+            "owner": "pytest-warnings",
+            "severity": "warning",
+            "pattern": [
+                {
+                    "regexp": "^=+ warnings summary =+$"
+                },
+                {
+                    "regexp": "^(?<path>.+?):(?<line>\\d+)$",
+                    "file": 1,
+                    "line": 2
+                },
+                {
+                    "regexp": "^  (?<message>.+)$",
+                    "message": 1,
+                    "loop": true
+                }
+            ]
+        }
+    ]
+}

.github/sphinx.json

@@ -0,0 +1,38 @@
+{
+    "problemMatcher": [
+        {
+            "owner": "sphinx-docstring",
+            "pattern": [
+                {
+                    "regexp": "^(?<path>.+?):(?<message>.*? (?<severity>WARNING|ERROR): .+)$",
+                    "file": 1,
+                    "severity": 3,
+                    "message": 2
+                }
+            ]
+        },
+        {
+            "owner": "sphinx-doctest",
+            "pattern": [
+                {
+                    "regexp": "^File \\\"(?<path>.+?)\\\", line (?<line>\\d+|\\?), (?<msg>.*$)",
+                    "file": 1,
+                    "line": 2,
+                    "message": 3
+                }
+            ]
+        },
+        {
+            "owner": "sphinx-extension",
+            "pattern": [
+                {
+                    "regexp": "^(?<severity>WARNING|ERROR): (?<code>\\S+): (?<message>.+)(?<dummy_file_entry>)$",
+                    "severity": 1,
+                    "code": 2,
+                    "message": 3,
+                    "file": 4
+                }
+            ]
+        }
+    ]
+}

.github/workflows/pyleco_CI.yml

@@ -0,0 +1,105 @@
+name: PyLECO CI
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+
+jobs:
+  docs_lint:
+    name: Docs and Linting
+    runs-on: "ubuntu-latest"
+    defaults:
+      run:
+        shell: bash -l {0}
+    steps:
+      - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+      - name: Cache conda
+        uses: actions/cache@v3
+        env:
+          CACHE_NUMBER: 0  # Increase to reset the cache
+        with:
+          path: ~/conda_pkgs_dir
+          key: py3.10-ubuntu-latest-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('environment.yml') }}
+      - name: Install pyleco requirements
+        uses: conda-incubator/setup-miniconda@v2
+        with:
+          python-version: "3.10"
+          environment-file: environment.yml
+          activate-environment: pyleco
+          auto-update-conda: true
+          use-only-tar-bz2: true  # for caching to work properly
+      - name: Conda info & list
+        run: |
+          conda info
+          conda list
+      - name: Set up flake8 annotations
+        uses: rbialon/flake8-annotations@v1
+      - name: Lint with flake8
+        run: |
+          # Be sure to check for Python syntax errors or undefined names
+          flake8 . --count --extend-select=E9,F63,F7,F82 --show-source --statistics
+      - uses: ammaraskar/sphinx-problem-matcher@master
+      - name: Generate docs
+        if: always()  # run even if the previous step failed
+        working-directory: ./docs
+        run: |
+          echo "::add-matcher::.github/sphinx.json"
+          make html SPHINXOPTS="-W --keep-going"
+      - name: Run doctests
+        if: always()  # run even if the previous step failed
+        working-directory: ./docs
+        run: |
+          echo "::add-matcher::.github/sphinx.json"
+          make doctest SPHINXOPTS="-W --keep-going"
+  test:
+    name: Python ${{ matrix.python-version }}, ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    defaults:
+      run:
+        shell: bash -l {0}
+    strategy:
+      fail-fast: true
+      matrix:
+        os: ["ubuntu-latest", "macos-latest", "windows-latest"]
+        python-version: ["3.10", "3.11"]
+    steps:
+      - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+      - name: Cache conda
+        uses: actions/cache@v3
+        env:
+          CACHE_NUMBER: 0  # Increase to reset the cache
+        with:
+          path: ~/conda_pkgs_dir
+          key: py${{ matrix.python-version }}-${{ matrix.os }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('environment.yml') }}
+      - name: Install pyleco requirements
+        uses: conda-incubator/setup-miniconda@v2
+        with:
+          python-version: ${{ matrix.python-version }}
+          environment-file: environment.yml
+          activate-environment: pyleco
+          auto-update-conda: true
+          use-only-tar-bz2: true  # for caching to work properly
+      - name: Install Pyleco
+        # If the pytest problem matcher stops working because of bad paths, do an editable install
+        run: pip install .[tests]
+      - name: Pyleco version
+        run: python -c "import pyleco;print(pyleco.__version__)"
+      - name: Conda info & list
+        run: |
+          conda info
+          conda list
+      - name: Run pytest with xvfb
+        if: runner.os == 'Linux'
+        run: |
+          echo "::add-matcher::.github/pytest.json"
+          xvfb-run -a pytest
+      - name: Run pytest
+        if: runner.os != 'Linux'
+        run: |
+          echo "::add-matcher::.github/pytest.json"
+          pytest

docs/index.rst

@@ -0,0 +1,3 @@
+######
+PyLeco
+######

environment.yml

@@ -3,11 +3,15 @@ channels:
   - conda-forge
 dependencies:
   - pyzmq=25.0.0
+  - pip  # don't pin, to gain newest conda compatibility fixes
+  - pip:
+    - jsonrpc2-pyclient=2.2.12
+    - openrpc=6.3.17
+    - uuid7=0.1.0
 # Development dependencies below
   - pytest=7.2.0
+  - pytest-runner=6.0.0
+  - flake8=6.0.0
   - setuptools_scm # don't pin, to get newest features
-  - sphinx=6.1.3
-  - sphinx_rtd_theme=1.0.0
-  # - pip  # don't pin, to gain newest conda compatibility fixes
-  # - pip:
-  #   - xxx
+  # - sphinx=6.1.3
+  # - sphinx_rtd_theme=1.0.0

pyleco/__init__.py

@@ -0,0 +1,51 @@
+#
+# This file is part of the PyLECO package.
+#
+# Copyright (c) 2023-2023 PyLECO Developers
+#
+# Permission is hereby granted, free of charge, to any person obtaining a copy
+# of this software and associated documentation files (the "Software"), to deal
+# in the Software without restriction, including without limitation the rights
+# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+# copies of the Software, and to permit persons to whom the Software is
+# furnished to do so, subject to the following conditions:
+#
+# The above copyright notice and this permission notice shall be included in
+# all copies or substantial portions of the Software.
+#
+# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+# THE SOFTWARE.
+#
+
+import warnings
+
+# Maximally flexible approach to obtain version numbers, based on this approach:
+# https://github.com/pypa/setuptools_scm/issues/143#issuecomment-672878863
+# Sadly, this does not work with editable installs, which bake in version info on installation.
+# see also https://github.com/pyusb/pyusb/pull/307#issuecomment-650797688
+try:
+    # If a user has setuptools_scm installed, assume they want the most up to date version string.
+    # Alternatively, we could use a dummy dev module that is never packaged whose presence signals
+    # that we are in an editable install/repo, see https://github.com/pycalphad/pycalphad/pull/341
+    import setuptools_scm
+    __version__ = setuptools_scm.get_version(root='..', relative_to=__file__)
+    del setuptools_scm
+except (ImportError, LookupError):
+    # Setuptools_scm was not found, or it could not find a version, so use installation metadata.
+    from importlib.metadata import version, PackageNotFoundError
+    try:
+        __version__ = version("pyleco")
+        # Alternatively, if the current approach is too slow, we could add
+        # 'write_to = "pyleco/_version.py"' in pyproject.toml and use the generated file here:
+        # from ._version import version as __version__
+    except PackageNotFoundError:
+        warnings.warn('Could not find pyleco version, it does not seem to be installed. '
+                      'Either install it (editable or full) or install setuptools_scm')
+        __version__ = '0.0.0'
+    finally:
+        del version, PackageNotFoundError

pyproject.toml

@@ -16,10 +16,10 @@ classifiers = [
 
 requires-python = ">=3.10"
 dependencies = [
-  "pyzmq",
-  "openrpc",
-  "jsonrpc2-pyclient",
-  "uuid7",
+  "pyzmq" >= 22.3.0,
+  "openrpc" >= 6.3.17,
+  "jsonrpc2-pyclient" >= 2.2.12,
+  "uuid7" >= 0.1.0,
 ]
 
 [project.optional-dependencies]
@@ -39,3 +39,9 @@ build-backend = "setuptools.build_meta"
 
 [tool.setuptools_scm]
 # write_to = "pyleco/_version.py"
+
+[tool.black]
+line-length = 100
+
+[tool.isort]
+profile = "black"

setup.cfg

@@ -0,0 +1,6 @@
+[flake8]
+exclude = .git,__pycache__,docs/conf.py,build,dist
+max-line-length = 100
+max-complexity = 15
+per-file-ignores =
+    __init__.py:F401