merged master into aux-indices

.github/workflows/cmake.yml

@@ -2,6 +2,10 @@ name: Linux/MacOS Build
 
 on: [push, pull_request]
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: ${{ github.ref != 'refs/heads/master'}} # don't cancel jobs on master
+
 #env:
 
 jobs:
@@ -38,7 +42,7 @@ jobs:
         -DCMAKE_CXX_EXTENSIONS=OFF
         -DSEQUANT_BUILD_BENCHMARKS=ON
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v4
 
     - name: Create Build Environment
       # Some projects don't allow in-source building, so create a separate build directory
@@ -61,7 +65,7 @@ jobs:
         string(TIMESTAMP current_date "%Y-%m-%d-%H;%M;%S" UTC)
         message("::set-output name=timestamp::${current_date}")
     - name: Setup ccache cache files
-      uses: actions/cache@v1.1.0
+      uses: actions/cache@v4
       with:
         path: ${{github.workspace}}/build/.ccache
         key: ${{ matrix.config.name }}-ccache-${{ steps.ccache_cache_timestamp.outputs.timestamp }}

.github/workflows/docs.yml

@@ -0,0 +1,43 @@
+name: Docs
+
+on: [push, pull_request, workflow_dispatch]
+
+jobs:
+  build:
+    name: "Build and Deploy"
+    runs-on: ubuntu-24.04
+    env:
+      CXX: g++
+      BUILD_CONFIG: >
+        -G Ninja
+        -DCMAKE_BUILD_TYPE=Release
+        -DCMAKE_PREFIX_PATH='/usr/include/boost'
+        -DBUILD_TESTING=OFF
+        -DSEQUANT_BUILD_DOCS=ON
+    steps:
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v5
+        with:
+          python-version: '3.9' # Breathe needs 3.9 or later
+          cache: 'pip'
+
+      - name: Setup Environment
+        run: |
+          cmake -E make_directory ${{github.workspace}}/build
+          sudo apt-get update
+          sudo apt-get install -y ninja-build libboost-all-dev doxygen
+          pip install -r doc/sphinx/requirements.txt
+
+      - name: Build Docs
+        working-directory: ${{github.workspace}}/build
+        run: |
+          cmake $GITHUB_WORKSPACE -DCMAKE_BUILD_TYPE=$BUILD_TYPE $BUILD_CONFIG
+          cmake --build . --target sphinx-sequant
+
+      - name: Deploy to gh-pages
+        if: ${{ github.event_name == 'push' && github.ref == 'refs/heads/master' }}
+        uses: peaceiris/actions-gh-pages@v4
+        with:
+          publish_branch: gh-pages
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_dir: ${{github.workspace}}/build/doc/sphinx/html

CMakeLists.txt

@@ -127,6 +127,9 @@ add_feature_info(EVAL_TRACE SEQUANT_EVAL_TRACE "Trace expression interpretation"
 option(SEQUANT_USE_SYSTEM_BOOST_HASH "Use system Boost for hashing? Set to OFF to make hashing independent of Boost, thus value-portable" ON)
 add_feature_info(SEQUANT_USE_SYSTEM_BOOST_HASH SEQUANT_USE_SYSTEM_BOOST_HASH "SeQuant uses system Boost for hashing (thus results depend on the Boost version)")
 
+option(SEQUANT_BUILD_DOCS "Build SeQuant documentation using Doxygen and Sphinx" OFF)
+add_feature_info(BUILD_DOCS SEQUANT_BUILD_DOCS "Build SeQuant documentation. Doxygen and Sphinx are required.")
+
 ##########################
 # Prerequisites
 ##########################
@@ -253,6 +256,7 @@ set(SeQuant_src
         SeQuant/core/wick_graph.hpp
         SeQuant/core/wolfram.hpp
         SeQuant/core/wstring.hpp
+        SeQuant/domain/mbpt/antisymmetrizer.cpp
         SeQuant/domain/mbpt/antisymmetrizer.hpp
         SeQuant/domain/mbpt/context.hpp
         SeQuant/domain/mbpt/context.cpp
@@ -263,6 +267,7 @@ set(SeQuant_src
         SeQuant/domain/mbpt/op.cpp
         SeQuant/domain/mbpt/op.hpp
         SeQuant/domain/mbpt/op.ipp
+        SeQuant/domain/mbpt/rdm.cpp
         SeQuant/domain/mbpt/rdm.hpp
         SeQuant/domain/mbpt/spin.cpp
         SeQuant/domain/mbpt/spin.hpp
@@ -314,6 +319,7 @@ if (Boost_IS_MODULARIZED)
     target_link_libraries(SeQuant PUBLIC
             Boost::container
             Boost::container_hash
+            Boost::hana
             Boost::multiprecision
             Boost::numeric_conversion
             Boost::numeric_interval
@@ -434,6 +440,7 @@ if (BUILD_TESTING)
             tests/unit/test_latex.cpp
             tests/unit/test_utilities.cpp
             tests/unit/test_export.cpp
+            tests/unit/test_meta.cpp
             )
 
     if (TARGET tiledarray)
@@ -555,7 +562,7 @@ if (BUILD_TESTING)
       target_link_libraries(${example${i}} SeQuant)
     endforeach ()
 
-	set(example12 "tensor_network_graphs")
+    set(example12 "tensor_network_graphs")
     add_executable(${example12} EXCLUDE_FROM_ALL
             examples/${example12}/${example12}.cpp)
     target_link_libraries(${example12} SeQuant)
@@ -599,8 +606,9 @@ if (SEQUANT_PYTHON)
 endif ()
 
 ####### DOCS ########
-
-add_subdirectory(doc)
+if (SEQUANT_BUILD_DOCS)
+    add_subdirectory(doc)
+endif ()
 
 
 ##########################

INSTALL.md

@@ -1,12 +1,12 @@
-SeQuant: installation guide
-===========================
+# Installation Guide
 
-## TL;DR
+
+### TL;DR
 While in the SeQuant source directory:
 * `cmake -B build -S .`
 * `cmake --build build --target check-sequant`
 
-## Prerequisites
+### Prerequisites
   * mandatory:
     * CMake 3.15 or later
     * a C++17 compiler
@@ -20,12 +20,12 @@ While in the SeQuant source directory:
     * for building `stcc*` example programs
         * [Eigen](http://eigen.tuxfamily.org/), version 3
 
-## Configure
+### Configure
 
 From the SeQuant source directory run the following command to configure the build harness:
 * `cmake -B build -S .`
 
-### Useful CMake variables
+#### Useful CMake variables
   * [`BUILD_TESTING`](https://cmake.org/cmake/help/latest/module/CTest.html) --- enables unit tests targets, e.g. `check-sequant` [default=ON]
   * [`CMAKE_CXX_COMPILER`](https://cmake.org/cmake/help/latest/variable/CMAKE_LANG_COMPILER.html#variable:CMAKE_%3CLANG%3E_COMPILER) --- specifies the C++ compiler to use
   * [`CMAKE_PREFIX_PATH`](https://cmake.org/cmake/help/latest/variable/CMAKE_PREFIX_PATH.html) --- this semicolon-separated list specifies search paths for dependencies (Boost, Range-V3, etc.)
@@ -35,7 +35,7 @@ From the SeQuant source directory run the following command to configure the bui
   * `SEQUANT_PYTHON` --- enables building of Pythin bindings
   * `Boost_FETCH_IF_MISSING` --- if set to `ON`, SeQuant will download and build Boost if it is not found by `find_package(Boost ...)`; this is not recommended. [default=OFF]
 
-## Build
+### Build
 
 To build, test, and install SeQuant, run the following commands:
 * `cmake --build build`