Merge pull request #13 from leaver2000/development

Development

.clang-format

@@ -1,9 +1,9 @@
 # Use clang-format -dump-config -style=google to get the base configuration
 ---
 Language: Cpp
-AccessModifierOffset: -2  # MARK: Adjustable
+AccessModifierOffset: -2 # MARK: Adjustable
 AlignAfterOpenBracket: BlockIndent
-AlignArrayOfStructures: None  # MARK: Adjustable
+AlignArrayOfStructures: None # MARK: Adjustable
 AlignConsecutiveAssignments:
   Enabled: false
   AcrossEmptyLines: false
@@ -31,7 +31,7 @@ AlignConsecutiveMacros:
 AlignEscapedNewlines: Left
 AlignOperands: DontAlign
 AlignTrailingComments:
-  Kind: Never  # MARK: Adjustable
+  Kind: Never # MARK: Adjustable
   OverEmptyLines: 0
 AllowAllArgumentsOnNextLine: true
 AllowAllParametersOfDeclarationOnNextLine: true
@@ -78,11 +78,11 @@ BreakBeforeTernaryOperators: true
 BreakConstructorInitializers: BeforeColon
 BreakInheritanceList: BeforeColon
 BreakStringLiterals: false
-ColumnLimit: 99  # MARK: Adjustable
+ColumnLimit: 99 # MARK: Adjustable
 CommentPragmas: "^ IWYU pragma:"
 CompactNamespaces: false
-ConstructorInitializerIndentWidth: 4  # MARK: Adjustable
-ContinuationIndentWidth: 2  # MARK: Adjustable
+ConstructorInitializerIndentWidth: 4 # MARK: Adjustable
+ContinuationIndentWidth: 2 # MARK: Adjustable
 Cpp11BracedListStyle: true
 DerivePointerAlignment: false
 DisableFormat: false
@@ -122,7 +122,7 @@ IndentExternBlock: AfterExternBlock
 IndentGotoLabels: true
 IndentPPDirectives: None
 IndentRequiresClause: true
-IndentWidth: 2  # MARK: Adjustable
+IndentWidth: 4 # MARK: Adjustable
 IndentWrappedFunctionNames: false
 InsertBraces: false
 InsertNewlineAtEOF: false
@@ -191,14 +191,14 @@ RawStringFormats:
     CanonicalDelimiter: pb
     BasedOnStyle: google
 ReferenceAlignment: Pointer
-ReflowComments: false  # MARK: Adjustable
+ReflowComments: false # MARK: Adjustable
 RemoveBracesLLVM: false
 RemoveSemicolon: false
 RequiresClausePosition: OwnLine
 RequiresExpressionIndentation: OuterScope
 SeparateDefinitionBlocks: Leave
 ShortNamespaceLines: 1
-SortIncludes: Never  # MARK: Adjustable
+SortIncludes: Never # MARK: Adjustable
 SortJavaStaticImport: Before
 SortUsingDeclarations: LexicographicNumeric
 SpaceAfterCStyleCast: false
@@ -248,4 +248,4 @@ WhitespaceSensitiveMacros:
   - CF_SWIFT_NAME
   - NS_SWIFT_NAME
   - PP_STRINGIZE
-  - STRINGIZE
+  - STRINGIZE

.dockerignore

@@ -0,0 +1,22 @@
+# Ignore everything
+*
+
+# Allow files and directories
+!pyproject.toml
+!setup.py
+!/src/nzthermo/
+!/src/include/
+!/src/lib/
+!/tests/
+!/.git/
+# !/src
+
+# Ignore unnecessary files inside allowed directories
+# This should go after the allowed directories
+# **/*~
+**/*.pyc
+**/_version.py
+**/__pycache__/
+**/*.so
+# **/.DS_Store
+# **/Thumbs.db

.github/workflows/python-app.yml

@@ -5,34 +5,32 @@ name: Python application
 
 on:
   push:
-    branches: [ "master" ]
+    branches: ["master"]
   pull_request:
-    branches: [ "master" ]
+    branches: ["master"]
 
 permissions:
   contents: read
 
 jobs:
   build:
-
     runs-on: ubuntu-latest
-
     steps:
-    - uses: actions/checkout@v4
-    - name: Set up Python 3.11
-      uses: actions/setup-python@v3
-      with:
-        python-version: "3.11"
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install -r requirements.dev.txt
-    - name: Lint with flake8
-      run: |
-        # stop the build if there are Python syntax errors or undefined names
-        ruff check . --exit-zero
-    - name: Test with pytest
-      run: |
-        python setup.py build_ext --inplace --coverage
-        coverage run -m pytest
-        coverage report -m
+      - uses: actions/checkout@v4
+      - name: Set up Python 3.11
+        uses: actions/setup-python@v3
+        with:
+          python-version: "3.11"
+      - name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install -r requirements.dev.txt
+      - name: Lint with flake8
+        run: |
+          # stop the build if there are Python syntax errors or undefined names
+          ruff check . --exit-zero
+      - name: Test with pytest
+        run: |
+          python setup.py build_ext --inplace --coverage
+          coverage run -m pytest
+          coverage report -m

.gitignore

@@ -2,13 +2,15 @@
 .venv/
 build/
 **/__pycache__/
-**/*.pyc
-**/*.so
-src/nzthermo/*.c
-.egg/
+*.pyc
+*.so
 *.egg-info/
+*.dist-info/
+src/**/_ufunc.cpp
+src/**/_core.cpp
+src/**/_version.py
+.egg/
 .vscode/
 .coverage
 .reports/
-.trash/
-src/nzthermo/_version.py
+.trash/

CMakeLists.txt

@@ -0,0 +1,64 @@
+cmake_minimum_required(VERSION 3.14)
+project(libthermo)
+
+# # Set the compiler options
+# # The --coverage compiler flag is an alternative to -fprofile-arcs -ftest-coverage for recent version of gcc.
+# # In versions 3.13 and later of cmake, the target_link_libraries command can be
+# # removed and add_link_options("--coverage") added after the add_compile_options command.
+# # GoogleTest requires at least C++14
+# set(CMAKE_CXX_STANDARD 20)
+# set(CMAKE_CXX_STANDARD_REQUIRED ON)
+set(CMAKE_REQUIRED_FLAGS -fconcepts)
+# set(CMAKE_CXX_FLAGS "-g -O0 -Wall --coverage")
+# set(CMAKE_C_FLAGS --coverage)
+
+# include(FetchContent)
+# FetchContent_Declare(
+#   googletest
+#   URL https://github.com/google/googletest/archive/03597a01ee50ed33e9dfd640b249b4be3799d395.zip
+# )
+
+# # For Windows: Prevent overriding the parent project's compiler/linker settings
+# set(gtest_force_shared_crt ON CACHE BOOL "" FORCE)
+# FetchContent_MakeAvailable(googletest)
+add_compile_options(
+"$<$<COMPILE_LANGUAGE:CXX>:-Ofast;-DNDEBUG;-fconcepts;-std=c++2a;-march=native;-fpic;-ftree-vectorize>"
+)
+# # -------------------------------------------------------------------------------------------------
+# # GTest
+# # -------------------------------------------------------------------------------------------------
+# enable_testing()
+include_directories(src/include/)
+add_executable(
+  slac_test
+  # src/lib/_C.cpp
+  src/lib/functional.cpp
+  # src/include/_C.hpp
+  # src/include/common.hpp
+  src/include/functional.hpp
+)
+
+# # link everything together
+# target_link_libraries(slac_test GTest::gtest_main)
+
+# if(CMAKE_BUILD_TYPE STREQUAL "DEBUG")
+#   add_test(
+#     NAME slac_test
+#     COMMAND slac_test --gtest_output=xml:gtest-output.xml
+#   )
+#   add_test(
+#     NAME Coverage
+#     COMMAND gcovr --exclude-directories build/CMakeFiles/slac_test.dir/src/lib/tests --cobertura coverage.cobertura.xml
+#     WORKING_DIRECTORY ..
+#   )
+# else()
+#   add_test(
+#     NAME slac_test
+#     COMMAND slac_test --gtest_output=xml:/app/gtest-output.xml
+#   )
+#   add_test(
+#     NAME Coverage
+#     COMMAND gcovr --exclude-directories build/CMakeFiles/slac_test.dir/src/lib/tests --cobertura coverage.cobertura.xml
+#     WORKING_DIRECTORY ..
+#   )
+# endif()

Dockerfile

@@ -0,0 +1,51 @@
+# syntax=docker/dockerfile:1
+
+# .................................................................................................
+# FROM python:3.10.14 AS py310
+# USER root
+# WORKDIR /
+
+# ENV PATH="/opt/venv/bin:$PATH"
+# RUN python3 -m venv /opt/venv
+# COPY tests/requirements.txt .
+# RUN pip install --no-cache-dir -r requirements.txt
+
+# COPY . .
+# ENV NZTHERMO_BUILD_COVERAGE 1
+# RUN pip install --no-cache-dir --no-deps --upgrade --target src/ .
+
+# USER 1001
+
+# .................................................................................................
+FROM python:3.11.9 AS py311
+USER root
+WORKDIR /
+
+ENV PATH="/opt/venv/bin:$PATH"
+RUN python3 -m venv /opt/venv
+COPY tests/requirements.txt .
+RUN pip install --no-cache-dir -r requirements.txt
+
+COPY . .
+ENV NZTHERMO_BUILD_COVERAGE 1
+RUN pip install --no-cache-dir --no-deps --upgrade --target src/ . \
+  && pytest tests
+
+USER 1001
+
+# .................................................................................................
+FROM python:3.12.3 AS py312
+USER root
+WORKDIR /
+
+ENV PATH="/opt/venv/bin:$PATH"
+RUN python3 -m venv /opt/venv
+COPY tests/requirements.txt .
+RUN pip install --no-cache-dir -r requirements.txt
+
+COPY . .
+ENV NZTHERMO_BUILD_COVERAGE 1
+RUN pip install --no-cache-dir --no-deps --upgrade --target src/ . \
+  && pytest tests
+
+USER 1001

Makefile

@@ -0,0 +1,3 @@
+
+clean:
+	rm -rf dist/ build/ .pytest_cache/ .coverage *.egg-info/ src/*.egg-info/ src/nzthermo/_version.py src/nzthermo/*.so src/nzthermo/__pycache__/