From 79789512bffecd0b9b1f3a8ec30c65da029ed394 Mon Sep 17 00:00:00 2001 From: Nils Wentzell Date: Thu, 17 Feb 2022 16:58:35 -0500 Subject: [PATCH] Squash app4triqs/3.3.x to reduce skeleton history when tracking Co-authored-by: Dylan Simon Co-authored-by: Alexander Hampel --- .clang-format | 45 ++ .clang-tidy | 2 + .dockerignore | 5 + .github/ISSUE_TEMPLATE/bug.md | 45 ++ .github/ISSUE_TEMPLATE/feature.md | 23 + .github/workflows/build.yml | 140 ++++ .gitignore | 3 + CMakeLists.txt | 178 +++++ COPYING.txt | 674 ++++++++++++++++++ ChangeLog.md | 1 + Dockerfile | 16 + Jenkinsfile | 186 +++++ LICENSE.txt | 18 + README.md | 84 +++ c++/app4triqs/CMakeLists.txt | 99 +++ c++/app4triqs/app4triqs.cpp | 37 + c++/app4triqs/app4triqs.hpp | 79 ++ deps/.gitignore | 1 + deps/CMakeLists.txt | 67 ++ deps/external_dependency.cmake | 95 +++ doc/CMakeLists.txt | 81 +++ doc/ChangeLog.md | 35 + doc/_static/css/custom.css | 5 + doc/_static/logo_cea.png | Bin 0 -> 40013 bytes doc/_static/logo_cnrs.png | Bin 0 -> 224175 bytes doc/_static/logo_erc.jpg | Bin 0 -> 195026 bytes doc/_static/logo_flatiron.png | Bin 0 -> 31312 bytes doc/_static/logo_github.png | Bin 0 -> 16926 bytes doc/_static/logo_simons.jpg | Bin 0 -> 66971 bytes doc/_static/logo_x.png | Bin 0 -> 248543 bytes .../Icon/JPG/Triqs_Icon_RGB_Black.jpg | Bin 0 -> 64556 bytes .../Icon/JPG/Triqs_Icon_RGB_Full.jpg | Bin 0 -> 88473 bytes .../Icon/SVG/Triqs_Icon_RGB_Black.svg | 1 + .../Icon/SVG/Triqs_Icon_RGB_Full.svg | 1 + .../Icon/SVG/Triqs_Icon_RGB_White.svg | 1 + .../Logo/JPG/Triqs_Logo_RGB_Black.jpg | Bin 0 -> 68510 bytes .../Logo/JPG/Triqs_Logo_RGB_Full.jpg | Bin 0 -> 82059 bytes .../Logo/SVG/Triqs_Logo_RGB_Black.svg | 1 + .../Logo/SVG/Triqs_Logo_RGB_Full.svg | 1 + .../Logo/SVG/Triqs_Logo_RGB_White.svg | 1 + doc/_static/triqs_logo/triqs_favicon.ico | Bin 0 -> 4286 bytes doc/_templates/autosummary_class_template.rst | 29 + .../autosummary_module_template.rst | 68 ++ doc/_templates/sideb.html | 14 + doc/about.rst | 8 + doc/conf.py.in | 144 ++++ doc/documentation.rst | 29 + doc/index.rst | 33 + doc/install.rst | 77 ++ doc/issues.rst | 23 + doc/sphinxext/sphinx_autorun/__init__.py | 93 +++ doc/sphinxext/sphinx_autorun/pycon.py | 31 + doc/sphinxext/sphinx_autorun/version.py | 4 + doc/sphinxext/triqs_example/triqs_example.py | 123 ++++ doc/themes/triqs/layout.html | 52 ++ doc/themes/triqs/static/bodybg.png | Bin 0 -> 602 bytes doc/themes/triqs/static/cufon-yui.js | 7 + doc/themes/triqs/static/footerbg.png | Bin 0 -> 313 bytes doc/themes/triqs/static/headerbg.png | Bin 0 -> 344 bytes doc/themes/triqs/static/listitem.png | Bin 0 -> 207 bytes doc/themes/triqs/static/relbg.png | Bin 0 -> 332 bytes .../triqs/static/spaceman.cufonfonts.js | 8 + doc/themes/triqs/static/triqs.css | 449 ++++++++++++ doc/themes/triqs/theme.conf | 4 + packaging/CMakeLists.txt | 7 + packaging/TRIQS-app4triqs-foss-2021b.eb.in | 60 ++ packaging/conda/build.sh | 22 + packaging/conda/conda_build_config.yaml | 3 + packaging/conda/meta.yaml.in | 57 ++ python/app4triqs/CMakeLists.txt | 26 + python/app4triqs/__init__.py | 30 + python/app4triqs/app4triqs_module_desc.py | 76 ++ python/app4triqs/version.py.in | 32 + requirements.txt | 11 + share/CMakeLists.txt | 37 + share/app4triqs.modulefile.in | 39 + share/app4triqsvars.sh.in | 10 + share/cmake/CMakeLists.txt | 10 + share/cmake/Modules/FindSphinx.cmake | 37 + share/cmake/app4triqs-config-version.cmake.in | 13 + share/cmake/app4triqs-config.cmake.in | 40 ++ share/cmake/extract_flags.cmake | 125 ++++ share/replace_and_rename.py | 51 ++ share/squash_history.sh | 6 + test/CMakeLists.txt | 5 + test/c++/CMakeLists.txt | 35 + test/c++/basic.cpp | 30 + test/python/Basic.py | 50 ++ test/python/CMakeLists.txt | 15 + 89 files changed, 3948 insertions(+) create mode 100644 .clang-format create mode 100644 .clang-tidy create mode 100644 .dockerignore create mode 100644 .github/ISSUE_TEMPLATE/bug.md create mode 100644 .github/ISSUE_TEMPLATE/feature.md create mode 100644 .github/workflows/build.yml create mode 100644 .gitignore create mode 100644 CMakeLists.txt create mode 100644 COPYING.txt create mode 120000 ChangeLog.md create mode 100644 Dockerfile create mode 100644 Jenkinsfile create mode 100644 LICENSE.txt create mode 100644 README.md create mode 100644 c++/app4triqs/CMakeLists.txt create mode 100644 c++/app4triqs/app4triqs.cpp create mode 100644 c++/app4triqs/app4triqs.hpp create mode 100644 deps/.gitignore create mode 100644 deps/CMakeLists.txt create mode 100644 deps/external_dependency.cmake create mode 100644 doc/CMakeLists.txt create mode 100644 doc/ChangeLog.md create mode 100644 doc/_static/css/custom.css create mode 100644 doc/_static/logo_cea.png create mode 100644 doc/_static/logo_cnrs.png create mode 100644 doc/_static/logo_erc.jpg create mode 100644 doc/_static/logo_flatiron.png create mode 100644 doc/_static/logo_github.png create mode 100644 doc/_static/logo_simons.jpg create mode 100644 doc/_static/logo_x.png create mode 100755 doc/_static/triqs_logo/Icon/JPG/Triqs_Icon_RGB_Black.jpg create mode 100755 doc/_static/triqs_logo/Icon/JPG/Triqs_Icon_RGB_Full.jpg create mode 100755 doc/_static/triqs_logo/Icon/SVG/Triqs_Icon_RGB_Black.svg create mode 100755 doc/_static/triqs_logo/Icon/SVG/Triqs_Icon_RGB_Full.svg create mode 100755 doc/_static/triqs_logo/Icon/SVG/Triqs_Icon_RGB_White.svg create mode 100755 doc/_static/triqs_logo/Logo/JPG/Triqs_Logo_RGB_Black.jpg create mode 100755 doc/_static/triqs_logo/Logo/JPG/Triqs_Logo_RGB_Full.jpg create mode 100755 doc/_static/triqs_logo/Logo/SVG/Triqs_Logo_RGB_Black.svg create mode 100755 doc/_static/triqs_logo/Logo/SVG/Triqs_Logo_RGB_Full.svg create mode 100755 doc/_static/triqs_logo/Logo/SVG/Triqs_Logo_RGB_White.svg create mode 100644 doc/_static/triqs_logo/triqs_favicon.ico create mode 100644 doc/_templates/autosummary_class_template.rst create mode 100644 doc/_templates/autosummary_module_template.rst create mode 100644 doc/_templates/sideb.html create mode 100644 doc/about.rst create mode 100644 doc/conf.py.in create mode 100644 doc/documentation.rst create mode 100644 doc/index.rst create mode 100644 doc/install.rst create mode 100644 doc/issues.rst create mode 100644 doc/sphinxext/sphinx_autorun/__init__.py create mode 100644 doc/sphinxext/sphinx_autorun/pycon.py create mode 100644 doc/sphinxext/sphinx_autorun/version.py create mode 100644 doc/sphinxext/triqs_example/triqs_example.py create mode 100644 doc/themes/triqs/layout.html create mode 100644 doc/themes/triqs/static/bodybg.png create mode 100644 doc/themes/triqs/static/cufon-yui.js create mode 100644 doc/themes/triqs/static/footerbg.png create mode 100644 doc/themes/triqs/static/headerbg.png create mode 100644 doc/themes/triqs/static/listitem.png create mode 100644 doc/themes/triqs/static/relbg.png create mode 100644 doc/themes/triqs/static/spaceman.cufonfonts.js create mode 100644 doc/themes/triqs/static/triqs.css create mode 100644 doc/themes/triqs/theme.conf create mode 100644 packaging/CMakeLists.txt create mode 100644 packaging/TRIQS-app4triqs-foss-2021b.eb.in create mode 100644 packaging/conda/build.sh create mode 100644 packaging/conda/conda_build_config.yaml create mode 100644 packaging/conda/meta.yaml.in create mode 100644 python/app4triqs/CMakeLists.txt create mode 100644 python/app4triqs/__init__.py create mode 100644 python/app4triqs/app4triqs_module_desc.py create mode 100644 python/app4triqs/version.py.in create mode 100644 requirements.txt create mode 100644 share/CMakeLists.txt create mode 100644 share/app4triqs.modulefile.in create mode 100644 share/app4triqsvars.sh.in create mode 100644 share/cmake/CMakeLists.txt create mode 100644 share/cmake/Modules/FindSphinx.cmake create mode 100644 share/cmake/app4triqs-config-version.cmake.in create mode 100644 share/cmake/app4triqs-config.cmake.in create mode 100644 share/cmake/extract_flags.cmake create mode 100755 share/replace_and_rename.py create mode 100755 share/squash_history.sh create mode 100644 test/CMakeLists.txt create mode 100644 test/c++/CMakeLists.txt create mode 100644 test/c++/basic.cpp create mode 100644 test/python/Basic.py create mode 100644 test/python/CMakeLists.txt diff --git a/.clang-format b/.clang-format new file mode 100644 index 00000000..10b38401 --- /dev/null +++ b/.clang-format @@ -0,0 +1,45 @@ +BasedOnStyle: LLVM + +AccessModifierOffset: 0 +AlignAfterOpenBracket: Align +AlignConsecutiveAssignments: true +AlignConsecutiveDeclarations: false +AlignEscapedNewlinesLeft: false +AlignOperands: false +AlignTrailingComments: true +AllowAllParametersOfDeclarationOnNextLine: false +AllowShortBlocksOnASingleLine: true +AllowShortCaseLabelsOnASingleLine: true +AllowShortFunctionsOnASingleLine: All +AllowShortIfStatementsOnASingleLine: true +AllowShortLoopsOnASingleLine: true +AlwaysBreakBeforeMultilineStrings: true +AlwaysBreakTemplateDeclarations: false +BinPackArguments: true +BinPackParameters: true +BreakBeforeBinaryOperators: NonAssignment +BreakBeforeBraces: Attach +BreakBeforeTernaryOperators: false +BreakConstructorInitializersBeforeComma: false +BreakStringLiterals: false +ColumnLimit: 150 +ConstructorInitializerAllOnOneLineOrOnePerLine: true +ConstructorInitializerIndentWidth: 3 +ContinuationIndentWidth: 3 +Cpp11BracedListStyle: true +DerivePointerBinding : false +IndentCaseLabels: true +IndentWidth: 2 +Language: Cpp +MaxEmptyLinesToKeep: 1 +NamespaceIndentation : All +PointerAlignment: Right +ReflowComments: false +SortIncludes: false +SpaceAfterControlStatementKeyword: true +SpaceBeforeAssignmentOperators: true +SpaceInEmptyParentheses: false +SpacesInParentheses: false +Standard: Cpp11 +TabWidth: 2 +UseTab: Never diff --git a/.clang-tidy b/.clang-tidy new file mode 100644 index 00000000..1c458b78 --- /dev/null +++ b/.clang-tidy @@ -0,0 +1,2 @@ +Checks: '-*,modernize-*,cppcoreguidelines-*,bugprone-*,-modernize-use-trailing-return-type,-cppcoreguidelines-special-member-functions,-cppcoreguidelines-macro-usage,-cppcoreguidelines-no-malloc,-cppcoreguidelines-pro-bounds-pointer-arithmetic,-cppcoreguidelines-pro-bounds-constant-array-index,-cppcoreguidelines-avoid-magic-numbers, -cppcoreguidelines-non-private-member-variables-in-classes, -bugprone-easily-swappable-parameters' +HeaderFilterRegex: 'app4triqs' diff --git a/.dockerignore b/.dockerignore new file mode 100644 index 00000000..ab7e50dc --- /dev/null +++ b/.dockerignore @@ -0,0 +1,5 @@ +.travis.yml +Dockerfile +Jenkinsfile +.git/objects/pack +build* diff --git a/.github/ISSUE_TEMPLATE/bug.md b/.github/ISSUE_TEMPLATE/bug.md new file mode 100644 index 00000000..79dfa304 --- /dev/null +++ b/.github/ISSUE_TEMPLATE/bug.md @@ -0,0 +1,45 @@ +--- +name: Bug report +about: Create a report to help us improve +title: Bug report +labels: bug + +--- + +### Prerequisites + +* Please check that a similar issue isn't already filed: https://github.com/issues?q=is%3Aissue+user%3Atriqs + +### Description + +[Description of the issue] + +### Steps to Reproduce + +1. [First Step] +2. [Second Step] +3. [and so on...] + +or paste a minimal code example to reproduce the issue. + +**Expected behavior:** [What you expect to happen] + +**Actual behavior:** [What actually happens] + +### Versions + +Please provide the application version that you used. + +You can get this information from copy and pasting the output of +```bash +python -c "from app4triqs.version import *; show_version(); show_git_hash();" +``` +from the command line. Also, please include the OS you are running and its version. + +### Formatting + +Please use markdown in your issue message. A useful summary of commands can be found [here](https://guides.github.com/pdfs/markdown-cheatsheet-online.pdf). + +### Additional Information + +Any additional information, configuration or data that might be necessary to reproduce the issue. diff --git a/.github/ISSUE_TEMPLATE/feature.md b/.github/ISSUE_TEMPLATE/feature.md new file mode 100644 index 00000000..0ca4d25b --- /dev/null +++ b/.github/ISSUE_TEMPLATE/feature.md @@ -0,0 +1,23 @@ +--- +name: Feature request +about: Suggest an idea for this project +title: Feature request +labels: feature + +--- + +### Summary + +One paragraph explanation of the feature. + +### Motivation + +Why is this feature of general interest? + +### Implementation + +What user interface do you suggest? + +### Formatting + +Please use markdown in your issue message. A useful summary of commands can be found [here](https://guides.github.com/pdfs/markdown-cheatsheet-online.pdf). diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml new file mode 100644 index 00000000..890c702d --- /dev/null +++ b/.github/workflows/build.yml @@ -0,0 +1,140 @@ +name: build + +on: + push: + branches: [ unstable, '[0-9]+.[0-9]+.x' ] + pull_request: + branches: [ unstable, '[0-9]+.[0-9]+.x' ] + workflow_call: + workflow_dispatch: + +env: + CMAKE_C_COMPILER_LAUNCHER: ccache + CMAKE_CXX_COMPILER_LAUNCHER: ccache + CCACHE_COMPILERCHECK: content + CCACHE_BASEDIR: ${{ github.workspace }} + CCACHE_DIR: ${{ github.workspace }}/.ccache + CCACHE_MAXSIZE: 500M + CCACHE_SLOPPINESS: pch_defines,time_macros,include_file_mtime,include_file_ctime + CCACHE_COMPRESS: "1" + CCACHE_COMPRESSLEVEL: "1" + +jobs: + build: + + strategy: + fail-fast: false + matrix: + include: + - {os: ubuntu-22.04, cc: gcc-12, cxx: g++-12} + - {os: ubuntu-22.04, cc: clang-15, cxx: clang++-15} + - {os: macos-12, cc: gcc-12, cxx: g++-12} + - {os: macos-12, cc: clang, cxx: clang++} + + runs-on: ${{ matrix.os }} + + steps: + - uses: actions/checkout@v4 + + - uses: actions/cache/restore@v4 + with: + path: ${{ env.CCACHE_DIR }} + key: ccache-${{ matrix.os }}-${{ matrix.cc }}-${{ github.run_id }} + restore-keys: + ccache-${{ matrix.os }}-${{ matrix.cc }}- + + - name: Install ubuntu dependencies + if: matrix.os == 'ubuntu-22.04' + run: > + sudo apt-get update && + sudo apt-get install lsb-release wget software-properties-common && + wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && sudo chmod +x /tmp/llvm.sh && sudo /tmp/llvm.sh 15 && + sudo apt-get install + ccache + clang-15 + g++-12 + gfortran + hdf5-tools + libblas-dev + libboost-dev + libclang-15-dev + libc++-15-dev + libc++abi-15-dev + libomp-15-dev + libfftw3-dev + libgfortran5 + libgmp-dev + libhdf5-dev + liblapack-dev + libopenmpi-dev + openmpi-bin + openmpi-common + openmpi-doc + python3-clang-15 + python3-dev + python3-mako + python3-matplotlib + python3-mpi4py + python3-numpy + python3-pip + python3-scipy + python3-sphinx + python3-nbsphinx + + - name: Install homebrew dependencies + if: matrix.os == 'macos-12' + run: | + brew install ccache gcc@12 llvm boost fftw hdf5 open-mpi openblas + mkdir $HOME/.venv + python3 -m venv $HOME/.venv/my_python + source $HOME/.venv/my_python/bin/activate + pip install mako numpy scipy mpi4py + pip install -r requirements.txt + echo "VIRTUAL_ENV=$VIRTUAL_ENV" >> $GITHUB_ENV + echo "PATH=$PATH" >> $GITHUB_ENV + + - name: add clang cxxflags + if: ${{ contains(matrix.cxx, 'clang') }} + run: | + echo "PATH=/usr/local/opt/llvm/bin:$PATH" >> $GITHUB_ENV + echo "CXXFLAGS=-stdlib=libc++" >> $GITHUB_ENV + + - name: Build & Install TRIQS + env: + CC: ${{ matrix.cc }} + CXX: ${{ matrix.cxx }} + run: | + git clone https://github.com/TRIQS/triqs --branch unstable + mkdir triqs/build && cd triqs/build + cmake .. -DBuild_Tests=OFF -DCMAKE_INSTALL_PREFIX=$HOME/install + make -j1 install VERBOSE=1 + cd ../ + + - name: Build app4triqs + env: + CC: ${{ matrix.cc }} + CXX: ${{ matrix.cxx }} + LIBRARY_PATH: /usr/local/opt/llvm/lib + run: | + source $HOME/install/share/triqs/triqsvars.sh + mkdir build && cd build && cmake .. + make -j2 || make -j1 VERBOSE=1 + + - name: Test app4triqs + env: + DYLD_FALLBACK_LIBRARY_PATH: /usr/local/opt/llvm/lib + OPENBLAS_NUM_THREADS: "1" + run: | + source $HOME/install/share/triqs/triqsvars.sh + cd build + ctest -j2 --output-on-failure + + - name: ccache statistics + if: always() + run: ccache -sv + + - uses: actions/cache/save@v4 + if: always() + with: + path: ${{ env.CCACHE_DIR }} + key: ccache-${{ matrix.os }}-${{ matrix.cc }}-${{ github.run_id }} diff --git a/.gitignore b/.gitignore new file mode 100644 index 00000000..d38f325c --- /dev/null +++ b/.gitignore @@ -0,0 +1,3 @@ +compile_commands.json +doc/_autosummary +doc/cpp2rst_generated diff --git a/CMakeLists.txt b/CMakeLists.txt new file mode 100644 index 00000000..dca0f459 --- /dev/null +++ b/CMakeLists.txt @@ -0,0 +1,178 @@ +# ############################################################################## +# +# app4triqs - An example application using triqs and cpp2py +# +# Copyright (C) ... +# +# app4triqs is free software: you can redistribute it and/or modify it under the +# terms of the GNU General Public License as published by the Free Software +# Foundation, either version 3 of the License, or (at your option) any later +# version. +# +# app4triqs is distributed in the hope that it will be useful, but WITHOUT ANY +# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR +# A PARTICULAR PURPOSE. See the GNU General Public License for more details. +# +# You should have received a copy of the GNU General Public License along with +# app4triqs (in the file COPYING.txt in this directory). If not, see +# . +# +# ############################################################################## + +cmake_minimum_required(VERSION 3.20 FATAL_ERROR) +cmake_policy(VERSION 3.20) +if(POLICY CMP0144) + cmake_policy(SET CMP0144 NEW) +endif() + +# ############ +# Define Project +project(app4triqs VERSION 3.3.0 LANGUAGES CXX) +get_directory_property(IS_SUBPROJECT PARENT_DIRECTORY) + +# ############ +# Load TRIQS and CPP2PY +find_package(TRIQS 3.3 REQUIRED) + +# Get the git hash & print status +triqs_get_git_hash_of_source_dir(PROJECT_GIT_HASH) +message(STATUS "${PROJECT_NAME} version : ${PROJECT_VERSION}") +message(STATUS "${PROJECT_NAME} Git hash: ${PROJECT_GIT_HASH}") + +# Enforce Consistent Versioning +if(NOT ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR} VERSION_EQUAL ${TRIQS_VERSION_MAJOR}.${TRIQS_VERSION_MINOR}) + message(FATAL_ERROR "The ${PROJECT_NAME} version ${PROJECT_VERSION} is not compatible with TRIQS version ${TRIQS_VERSION}.") +endif() + +# Default Install directory to TRIQS_ROOT if not given or when provided as relative path. +if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT OR (NOT IS_ABSOLUTE ${CMAKE_INSTALL_PREFIX})) + message(STATUS "No install prefix given (or invalid). Defaulting to TRIQS_ROOT") + set(CMAKE_INSTALL_PREFIX ${TRIQS_ROOT} CACHE PATH "default install path" FORCE) + set(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT FALSE) +endif() +if(NOT IS_SUBPROJECT) + message(STATUS "-------- CMAKE_INSTALL_PREFIX: ${CMAKE_INSTALL_PREFIX} --------") +endif() +set(${PROJECT_NAME}_BINARY_DIR ${PROJECT_BINARY_DIR} CACHE STRING "Binary directory of the ${PROJECT_NAME} Project") + +# Make additional Find Modules available +list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/share/cmake/Modules) + +# ############ +# CMake Options + +# Default to Release build type +if(NOT CMAKE_BUILD_TYPE) + set(CMAKE_BUILD_TYPE Release CACHE STRING "Type of build" FORCE) +endif() +if(NOT IS_SUBPROJECT) + message(STATUS "-------- BUILD-TYPE: ${CMAKE_BUILD_TYPE} --------") +endif() + +# Python Support +option(PythonSupport "Build with Python support" ON) +if(PythonSupport AND NOT TRIQS_WITH_PYTHON_SUPPORT) + message(FATAL_ERROR "TRIQS was installed without Python support. Cannot build the Python Interface. Disable the build with -DPythonSupport=OFF") +endif() + +# Documentation +option(Build_Documentation "Build documentation" OFF) +if(NOT IS_SUBPROJECT AND (Build_Documentation AND NOT PythonSupport)) + message(FATAL_ERROR "Build_Documentation=ON requires PythonSupport to be enabled") +endif() + +# Testing +option(Build_Tests "Build tests" ON) +if(Build_Tests) + enable_testing() +endif() + +# ############ +# Global Compilation Settings + +# Build static libraries by default +option(BUILD_SHARED_LIBS "Enable compilation of shared libraries" OFF) + +# Export the list of compile-commands into compile_commands.json +set(CMAKE_EXPORT_COMPILE_COMMANDS ON) + +# Disable compiler extensions +set(CMAKE_CXX_EXTENSIONS OFF) + +# Provide additional debugging information for Debug builds +add_compile_options($<$:-ggdb3>) + +# Create an Interface target for compiler warnings +add_library(${PROJECT_NAME}_warnings INTERFACE) +target_compile_options(${PROJECT_NAME}_warnings + INTERFACE + -Wall + -Wextra + -Wfloat-conversion + -Wpedantic + -Wno-sign-compare + $<$:-Wno-comma-subscript> + $<$:-Wno-psabi> # Disable notes about ABI changes + $<$:-Wshadow=local> + $<$:-Wno-attributes> + $<$:-Wno-deprecated-declarations> + $<$:-Wno-deprecated-comma-subscript> + $<$:-Wno-unknown-warning-option> + $<$:-Wshadow> + $<$:-Wno-gcc-compat> + $<$:-Wno-c++20-extensions> + $<$:-Wno-c++20-compat> + $<$:-Wno-tautological-constant-compare> +) + +# Provide GNU Installation directories +include(GNUInstallDirs) + +# ############# +# Build Project + +# Find / Build dependencies +add_subdirectory(deps) + +# Build and install the library +add_subdirectory(c++/${PROJECT_NAME}) + +# Tests +if(Build_Tests) + add_subdirectory(test) +endif() + +# Python +if(PythonSupport) + add_subdirectory(python/${PROJECT_NAME}) +endif() + +# Docs +if(NOT IS_SUBPROJECT AND Build_Documentation) + add_subdirectory(doc) +endif() + +# Additional configuration files +add_subdirectory(share) + +# add packaging for automatic Versioning +add_subdirectory(packaging) + +# ############# +# Debian Package + +option(BUILD_DEBIAN_PACKAGE "Build a deb package" OFF) +if(BUILD_DEBIAN_PACKAGE AND NOT IS_SUBPROJECT) + if(NOT CMAKE_INSTALL_PREFIX STREQUAL "/usr") + message(FATAL_ERROR "CMAKE_INSTALL_PREFIX must be /usr for packaging") + endif() + set(CPACK_PACKAGE_NAME ${PROJECT_NAME}) + set(CPACK_GENERATOR "DEB") + set(CPACK_PACKAGE_VERSION ${PROJECT_VERSION}) + set(CPACK_PACKAGE_CONTACT "https://github.com/TRIQS/${PROJECT_NAME}") + execute_process(COMMAND dpkg --print-architecture OUTPUT_VARIABLE CMAKE_DEBIAN_PACKAGE_ARCHITECTURE OUTPUT_STRIP_TRAILING_WHITESPACE) + set(CPACK_DEBIAN_PACKAGE_DEPENDS "triqs (>= 3.3)") + set(CPACK_DEBIAN_PACKAGE_SHLIBDEPS ON) + set(CPACK_DEBIAN_PACKAGE_GENERATE_SHLIBS ON) + include(CPack) +endif() diff --git a/COPYING.txt b/COPYING.txt new file mode 100644 index 00000000..94a9ed02 --- /dev/null +++ b/COPYING.txt @@ -0,0 +1,674 @@ + GNU GENERAL PUBLIC LICENSE + Version 3, 29 June 2007 + + Copyright (C) 2007 Free Software Foundation, Inc. + Everyone is permitted to copy and distribute verbatim copies + of this license document, but changing it is not allowed. + + Preamble + + The GNU General Public License is a free, copyleft license for +software and other kinds of works. + + The licenses for most software and other practical works are designed +to take away your freedom to share and change the works. By contrast, +the GNU General Public License is intended to guarantee your freedom to +share and change all versions of a program--to make sure it remains free +software for all its users. We, the Free Software Foundation, use the +GNU General Public License for most of our software; it applies also to +any other work released this way by its authors. You can apply it to +your programs, too. + + When we speak of free software, we are referring to freedom, not +price. Our General Public Licenses are designed to make sure that you +have the freedom to distribute copies of free software (and charge for +them if you wish), that you receive source code or can get it if you +want it, that you can change the software or use pieces of it in new +free programs, and that you know you can do these things. + + To protect your rights, we need to prevent others from denying you +these rights or asking you to surrender the rights. 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If your program is a subroutine library, you +may consider it more useful to permit linking proprietary applications with +the library. If this is what you want to do, use the GNU Lesser General +Public License instead of this License. But first, please read +. diff --git a/ChangeLog.md b/ChangeLog.md new file mode 120000 index 00000000..9e080e26 --- /dev/null +++ b/ChangeLog.md @@ -0,0 +1 @@ +doc/ChangeLog.md \ No newline at end of file diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 00000000..1ae17114 --- /dev/null +++ b/Dockerfile @@ -0,0 +1,16 @@ +# See ../triqs/packaging for other options +FROM flatironinstitute/triqs:unstable-ubuntu-clang +ARG APPNAME=app4triqs + +# Install here missing dependencies, e.g. +# RUN apt-get install -y python3-skimage + +COPY --chown=build . $SRC/$APPNAME +WORKDIR $BUILD/$APPNAME +RUN chown build . +USER build +ARG BUILD_ID +ARG CMAKE_ARGS +RUN cmake $SRC/$APPNAME -DTRIQS_ROOT=${INSTALL} $CMAKE_ARGS && make -j4 || make -j1 VERBOSE=1 +USER root +RUN make install diff --git a/Jenkinsfile b/Jenkinsfile new file mode 100644 index 00000000..ff81d637 --- /dev/null +++ b/Jenkinsfile @@ -0,0 +1,186 @@ +def projectName = "app4triqs" /* set to app/repo name */ + +def dockerName = projectName.toLowerCase(); +/* which platform to build documentation on */ +def documentationPlatform = "ubuntu-clang" +/* depend on triqs upstream branch/project */ +def triqsBranch = env.CHANGE_TARGET ?: env.BRANCH_NAME +def triqsProject = '/TRIQS/triqs/' + triqsBranch.replaceAll('/', '%2F') +/* whether to keep and publish the results */ +def keepInstall = !env.BRANCH_NAME.startsWith("PR-") + +properties([ + disableConcurrentBuilds(), + buildDiscarder(logRotator(numToKeepStr: '10', daysToKeepStr: '30')), + pipelineTriggers(keepInstall ? [ + upstream( + threshold: 'SUCCESS', + upstreamProjects: triqsProject + ) + ] : []) +]) + +/* map of all builds to run, populated below */ +def platforms = [:] + +/****************** linux builds (in docker) */ +/* Each platform must have a corresponding Dockerfile.PLATFORM in triqs/packaging */ +def dockerPlatforms = ["ubuntu-clang", "ubuntu-gcc", "ubuntu-intel", "sanitize"] +/* .each is currently broken in jenkins */ +for (int i = 0; i < dockerPlatforms.size(); i++) { + def platform = dockerPlatforms[i] + platforms[platform] = { -> node('linux && docker && triqs') { + stage(platform) { timeout(time: 1, unit: 'HOURS') { ansiColor('xterm') { + checkout scm + /* construct a Dockerfile for this base */ + sh """ + ( echo "FROM flatironinstitute/triqs:${triqsBranch}-${env.STAGE_NAME}" ; sed '0,/^FROM /d' Dockerfile ) > Dockerfile.jenkins + mv -f Dockerfile.jenkins Dockerfile + """ + /* build and tag */ + def args = '' + if (platform == documentationPlatform) + args = '-DBuild_Documentation=1' + else if (platform == "sanitize") + args = '-DASAN=ON -DUBSAN=ON -DCMAKE_BUILD_TYPE=RelWithDebInfo' + def img = docker.build("flatironinstitute/${dockerName}:${env.BRANCH_NAME}-${env.STAGE_NAME}", "--build-arg APPNAME=${projectName} --build-arg BUILD_ID=${env.BUILD_TAG} --build-arg CMAKE_ARGS='${args}' .") + catchError(buildResult: 'UNSTABLE', stageResult: 'UNSTABLE') { + img.inside("--shm-size=4gb") { + sh "make -C \$BUILD/${projectName} test CTEST_OUTPUT_ON_FAILURE=1" + } + } + if (!keepInstall) { + sh "docker rmi --no-prune ${img.imageName()}" + } + } } } + } } +} + +/****************** osx builds (on host) */ +def osxPlatforms = [ + ["gcc", ['CC=gcc-13', 'CXX=g++-13', 'FC=gfortran-13']], + ["clang", ['CC=$BREW/opt/llvm/bin/clang', 'CXX=$BREW/opt/llvm/bin/clang++', 'FC=gfortran-13', 'CXXFLAGS=-I$BREW/opt/llvm/include', 'LDFLAGS=-L$BREW/opt/llvm/lib']] +] +for (int i = 0; i < osxPlatforms.size(); i++) { + def platformEnv = osxPlatforms[i] + def platform = platformEnv[0] + platforms["osx-$platform"] = { -> node('osx && triqs') { + stage("osx-$platform") { timeout(time: 1, unit: 'HOURS') { ansiColor('xterm') { + def srcDir = pwd() + def tmpDir = pwd(tmp:true) + def buildDir = "$tmpDir/build" + /* install real branches in a fixed predictable place so apps can find them */ + def installDir = keepInstall ? "${env.HOME}/install/${projectName}/${env.BRANCH_NAME}/${platform}" : "$tmpDir/install" + def triqsDir = "${env.HOME}/install/triqs/${triqsBranch}/${platform}" + def venv = triqsDir + dir(installDir) { + deleteDir() + } + + checkout scm + + def hdf5 = "${env.BREW}/opt/hdf5@1.10" + dir(buildDir) { withEnv(platformEnv[1].collect { it.replace('\$BREW', env.BREW) } + [ + "PATH=$venv/bin:${env.BREW}/bin:/usr/bin:/bin:/usr/sbin", + "HDF5_ROOT=$hdf5", + "C_INCLUDE_PATH=$hdf5/include:${env.BREW}/include", + "CPLUS_INCLUDE_PATH=$venv/include:$hdf5/include:${env.BREW}/include", + "LIBRARY_PATH=$venv/lib:$hdf5/lib:${env.BREW}/lib", + "LD_LIBRARY_PATH=$hdf5/lib", + "PYTHONPATH=$installDir/lib/python3.9/site-packages", + "CMAKE_PREFIX_PATH=$venv/lib/cmake/triqs", + "VIRTUAL_ENV=$venv", + "OMP_NUM_THREADS=2"]) { + deleteDir() + /* note: this is installing into the parent (triqs) venv (install dir), which is thus shared among apps and so not be completely safe */ + sh "pip3 install -U -r $srcDir/requirements.txt" + sh "cmake $srcDir -DCMAKE_INSTALL_PREFIX=$installDir -DTRIQS_ROOT=$triqsDir" + sh "make -j2 || make -j1 VERBOSE=1" + catchError(buildResult: 'UNSTABLE', stageResult: 'UNSTABLE') { try { + sh "make test CTEST_OUTPUT_ON_FAILURE=1" + } catch (exc) { + archiveArtifacts(artifacts: 'Testing/Temporary/LastTest.log') + throw exc + } } + sh "make install" + } } + } } } + } } +} + +/****************** wrap-up */ +def error = null +try { + parallel platforms + if (keepInstall) { node('linux && docker && triqs') { + /* Publish results */ + stage("publish") { timeout(time: 5, unit: 'MINUTES') { + def commit = sh(returnStdout: true, script: "git rev-parse HEAD").trim() + def release = env.BRANCH_NAME == "master" || env.BRANCH_NAME == "unstable" || sh(returnStdout: true, script: "git describe --exact-match HEAD || true").trim() + def workDir = pwd(tmp:true) + lock('triqs_publish') { + /* Update documention on gh-pages branch */ + dir("$workDir/gh-pages") { + def subdir = "${projectName}/${env.BRANCH_NAME}" + git(url: "ssh://git@github.com/TRIQS/TRIQS.github.io.git", branch: "master", credentialsId: "ssh", changelog: false) + sh "rm -rf ${subdir}" + docker.image("flatironinstitute/${dockerName}:${env.BRANCH_NAME}-${documentationPlatform}").inside() { + sh """#!/bin/bash -ex + base=\$INSTALL/share/doc + dir="${projectName}" + [[ -d \$base/triqs_\$dir ]] && dir=triqs_\$dir || [[ -d \$base/\$dir ]] + cp -rp \$base/\$dir ${subdir} + """ + } + sh "git add -A ${subdir}" + sh """ + git commit --author='Flatiron Jenkins ' --allow-empty -m 'Generated documentation for ${subdir}' -m '${env.BUILD_TAG} ${commit}' + """ + // note: credentials used above don't work (need JENKINS-28335) + sh "git push origin master" + } + /* Update packaging repo submodule */ + if (release) { dir("$workDir/packaging") { try { + git(url: "ssh://git@github.com/TRIQS/packaging.git", branch: env.BRANCH_NAME, credentialsId: "ssh", changelog: false) + // note: credentials used above don't work (need JENKINS-28335) + sh """#!/bin/bash -ex + dir="${projectName}" + [[ -d triqs_\$dir ]] && dir=triqs_\$dir || [[ -d \$dir ]] + echo "160000 commit ${commit}\t\$dir" | git update-index --index-info + git commit --author='Flatiron Jenkins ' -m 'Autoupdate ${projectName}' -m '${env.BUILD_TAG}' + git push origin ${env.BRANCH_NAME} + """ + } catch (err) { + /* Ignore, non-critical -- might not exist on this branch */ + echo "Failed to update packaging repo" + } } } + } + } } + } } +} catch (err) { + error = err +} finally { + /* send email on build failure (declarative pipeline's post section would work better) */ + if ((error != null || currentBuild.currentResult != 'SUCCESS') && env.BRANCH_NAME != "jenkins") emailext( + subject: "\$PROJECT_NAME - Build # \$BUILD_NUMBER - FAILED", + body: """\$PROJECT_NAME - Build # \$BUILD_NUMBER - FAILED + +Check console output at \$BUILD_URL to view full results. + +Building \$BRANCH_NAME for \$CAUSE +\$JOB_DESCRIPTION + +Changes: +\$CHANGES + +End of build log: +\${BUILD_LOG,maxLines=60} + """, + to: 'nwentzell@flatironinstitute.org', + recipientProviders: [ + [$class: 'DevelopersRecipientProvider'], + ], + replyTo: '$DEFAULT_REPLYTO' + ) + if (error != null) throw error +} diff --git a/LICENSE.txt b/LICENSE.txt new file mode 100644 index 00000000..4b35411e --- /dev/null +++ b/LICENSE.txt @@ -0,0 +1,18 @@ +app4triqs - An example application using triqs and cpp2py + +Copyright (C) 2017-2018, N. Wentzell, O. Parcollet +Copyright (C) 2018-2019, The Simons Foundation + authors: N. Wentzell, D. Simons, H. Strand, O. Parcollet + +app4triqs is free software: you can redistribute it and/or modify it under the +terms of the GNU General Public License as published by the Free Software +Foundation, either version 3 of the License, or (at your option) any later +version. + +app4triqs is distributed in the hope that it will be useful, but WITHOUT ANY +WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A +PARTICULAR PURPOSE. See the GNU General Public License for more details. + +You should have received a copy of the GNU General Public License along with +app4triqs (in the file COPYING.txt in this directory). If not, see +. diff --git a/README.md b/README.md new file mode 100644 index 00000000..1657290f --- /dev/null +++ b/README.md @@ -0,0 +1,84 @@ +[![build](https://github.com/TRIQS/app4triqs/workflows/build/badge.svg)](https://github.com/TRIQS/app4triqs/actions?query=workflow%3Abuild) + +# app4triqs - A skeleton for a TRIQS application + +Initial Setup +------------- + +To adapt this skeleton for a new TRIQS application, the following steps are necessary: + +* Create a repository, e.g. https://github.com/username/appname + +* Run the following commands in order after replacing **appname** accordingly + +```bash +git clone https://github.com/triqs/app4triqs --branch unstable appname +cd appname +./share/squash_history.sh +./share/replace_and_rename.py appname +git add -A && git commit -m "Adjust app4triqs skeleton for appname" +``` + +You can now add your github repository and push to it + +```bash +git remote add origin https://github.com/username/appname +git remote update +git push origin unstable +``` + +If you prefer to use the [SSH interface](https://help.github.com/en/articles/connecting-to-github-with-ssh) +to the remote repository, replace the http link with e.g. `git@github.com:username/appname`. + +### Merging app4triqs skeleton updates ### + +You can merge future changes to the app4triqs skeleton into your project with the following commands + +```bash +git remote update +git merge app4triqs_remote/unstable -X ours -m "Merge latest app4triqs skeleton changes" +``` + +If you should encounter any conflicts resolve them and `git commit`. +Finally we repeat the replace and rename command from the initial setup. + +```bash +./share/replace_and_rename.py appname +git commit --amend +``` + +Now you can compare against the previous commit with: +```bash +git diff prev_git_hash +```` + +Getting Started +--------------- + +After setting up your application as described above you should customize the following files and directories +according to your needs (replace app4triqs in the following by the name of your application) + +* Adjust or remove the `README.md` and `doc/ChangeLog.md` file +* In the `c++/app4triqs` subdirectory adjust the example files `app4triqs.hpp` and `app4triqs.cpp` or add your own source files. +* In the `test/c++` subdirectory adjust the example test `basic.cpp` or add your own tests. +* In the `python/app4triqs` subdirectory add your Python source files. + Be sure to remove the `app4triqs_module_desc.py` file unless you want to generate a Python module from your C++ source code. +* In the `test/python` subdirectory adjust the example test `Basic.py` or add your own tests. +* Adjust any documentation examples given as `*.rst` files in the doc directory. +* Adjust the sphinx configuration in `doc/conf.py.in` as necessary. +* The build and install process is identical to the one outline [here](https://triqs.github.io/app4triqs/unstable/install.html). + +### Optional ### +---------------- + +* If you want to wrap C++ classes and/or functions provided in the `c++/app4triqs/app4triqs.hpp` rerun the `c++2py` tool with +```bash +c++2py -r app4triqs_module_desc.py +``` +* Add your email address to the bottom section of `Jenkinsfile` for Jenkins CI notification emails +``` +End of build log: +\${BUILD_LOG,maxLines=60} + """, + to: 'user@domain.org', +``` diff --git a/c++/app4triqs/CMakeLists.txt b/c++/app4triqs/CMakeLists.txt new file mode 100644 index 00000000..5f51a380 --- /dev/null +++ b/c++/app4triqs/CMakeLists.txt @@ -0,0 +1,99 @@ +file(GLOB_RECURSE sources *.cpp) +add_library(${PROJECT_NAME}_c ${sources}) +add_library(${PROJECT_NAME}::${PROJECT_NAME}_c ALIAS ${PROJECT_NAME}_c) + +# Link against triqs and enable warnings +target_link_libraries(${PROJECT_NAME}_c PUBLIC triqs PRIVATE $) + +# Configure target and compilation +set_target_properties(${PROJECT_NAME}_c PROPERTIES + POSITION_INDEPENDENT_CODE ON + VERSION ${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR} +) +target_include_directories(${PROJECT_NAME}_c PUBLIC $) +target_include_directories(${PROJECT_NAME}_c SYSTEM INTERFACE $) +target_compile_definitions(${PROJECT_NAME}_c PUBLIC + APP4TRIQS_GIT_HASH=${PROJECT_GIT_HASH} + TRIQS_GIT_HASH=${TRIQS_GIT_HASH} + $<$:APP4TRIQS_DEBUG> + $<$:TRIQS_DEBUG> + $<$:TRIQS_ARRAYS_ENFORCE_BOUNDCHECK> + ) + +# Install library and headers +install(TARGETS ${PROJECT_NAME}_c EXPORT ${PROJECT_NAME}-targets DESTINATION ${CMAKE_INSTALL_LIBDIR}) +install(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR} DESTINATION include FILES_MATCHING PATTERN "*.hpp" PATTERN "*.h") + + +# ========= Static Analyzer Checks ========== + +option(ANALYZE_SOURCES OFF "Run static analyzer checks if found (clang-tidy, cppcheck)") +if(ANALYZE_SOURCES) + + # Locate static analyzer tools + find_program(CPPCHECK_EXECUTABLE NAMES "cppcheck" PATHS ENV PATH) + find_program(CLANG_TIDY_EXECUTABLE NAMES "clang-tidy" PATHS ENV PATH) + + # Run clang-tidy if found + if(CLANG_TIDY_EXECUTABLE) + message(STATUS "clang-tidy found: ${CLANG_TIDY_EXECUTABLE}") + set_target_properties(${PROJECT_NAME}_c PROPERTIES CXX_CLANG_TIDY "${CLANG_TIDY_EXECUTABLE}") + else() + message(STATUS "clang-tidy not found in $PATH. Please consider installing clang-tidy for additional checks!") + endif() + + # Run cppcheck if found + if(CPPCHECK_EXECUTABLE) + message(STATUS "cppcheck found: ${CPPCHECK_EXECUTABLE}") + add_custom_command( + TARGET ${PROJECT_NAME}_c + COMMAND ${CPPCHECK_EXECUTABLE} + --enable=warning,style,performance,portability + --std=c++23 + --template=gcc + --verbose + --force + --quiet + ${sources} + WORKING_DIRECTORY + ${CMAKE_CURRENT_SOURCE_DIR} + ) + else() + message(STATUS "cppcheck not found in $PATH. Please consider installing cppcheck for additional checks!") + endif() + +endif() + +# ========= Dynamic Analyzer Checks ========== + +option(ASAN OFF "Compile library and executables with LLVM Address Sanitizer") +if(ASAN) + if(NOT TARGET asan) + find_package(sanitizer REQUIRED COMPONENTS asan) + endif() + target_link_libraries(${PROJECT_NAME}_c PUBLIC $) +endif() + +option(UBSAN OFF "Compile library and executables with LLVM Undefined Behavior Sanitizer") +if(UBSAN) + if(NOT TARGET ubsan) + find_package(sanitizer REQUIRED COMPONENTS ubsan) + endif() + target_link_libraries(${PROJECT_NAME}_c PUBLIC $) +endif() + +option(MSAN OFF "Compile library and executables with LLVM Memory Sanitizer") +if(MSAN) + if(NOT TARGET msan) + find_package(sanitizer REQUIRED COMPONENTS msan) + endif() + target_link_libraries(${PROJECT_NAME}_c PUBLIC $) +endif() + +option(TSAN OFF "Compile library and executables with LLVM Thread Sanitizer") +if(TSAN) + if(NOT TARGET tsan) + find_package(sanitizer REQUIRED COMPONENTS tsan) + endif() + target_link_libraries(${PROJECT_NAME}_c PUBLIC $) +endif() diff --git a/c++/app4triqs/app4triqs.cpp b/c++/app4triqs/app4triqs.cpp new file mode 100644 index 00000000..a16840c1 --- /dev/null +++ b/c++/app4triqs/app4triqs.cpp @@ -0,0 +1,37 @@ +#include +#include "./app4triqs.hpp" + +namespace app4triqs { + + toto &toto::operator+=(toto const &b) { + this->i += b.i; + return *this; + } + + toto toto::operator+(toto const &b) const { + auto res = *this; + res += b; + return res; + } + + bool toto::operator==(toto const &b) const { return (this->i == b.i); } + + void h5_write(h5::group grp, std::string subgroup_name, toto const &m) { + grp = subgroup_name.empty() ? grp : grp.create_group(subgroup_name); + h5_write(grp, "i", m.i); + h5_write_attribute(grp, "Format", toto::hdf5_format()); + } + + void h5_read(h5::group grp, std::string subgroup_name, toto &m) { + grp = subgroup_name.empty() ? grp : grp.open_group(subgroup_name); + int i; + h5_read(grp, "i", i); + m = toto(i); + } + + int chain(int i, int j) { + int n_digits_j = j > 0 ? (int)log10(j) + 1 : 1; + return i * int(pow(10, n_digits_j)) + j; + } + +} // namespace app4triqs diff --git a/c++/app4triqs/app4triqs.hpp b/c++/app4triqs/app4triqs.hpp new file mode 100644 index 00000000..b92d513b --- /dev/null +++ b/c++/app4triqs/app4triqs.hpp @@ -0,0 +1,79 @@ +#pragma once +#include +#include +#include
+ +namespace app4triqs { + + /** + * A very useful and important class + * + * @note A Useful note + * @include app4triqs/app4triqs.hpp + */ + class toto { + + int i = 0; + + public: + toto() = default; + + /** + * Construct from integer + * + * @param i_ a scalar :math:`G(\tau)` + */ + explicit toto(int i_) : i(i_) {} + + ~toto() = default; + + // Copy/Move construction + toto(toto const &) = default; + toto(toto &&) = default; + + /// Copy/Move assignment + toto &operator=(toto const &) = default; + toto &operator=(toto &&) = default; + + /// Simple accessor + [[nodiscard]] int get_i() const { return i; } + + /** + * A simple function with :math:`G(\tau)` + * + * @param u Nothing useful + */ + int f(int u) { return u; } + + /// Arithmetic operations + toto operator+(toto const &b) const; + toto &operator+=(toto const &b); + + /// Comparison + bool operator==(toto const &b) const; + + /// HDF5 + static std::string hdf5_format() { return "Toto"; } + + friend void h5_write(h5::group grp, std::string subgroup_name, toto const &m); + friend void h5_read(h5::group grp, std::string subgroup_name, toto &m); + + /// Serialization + template void serialize(Archive &ar, const unsigned int) { ar &i; } + }; + + /** + * Chain digits of two integers + * + * @head A set of functions that implement chaining + * + * @tail Do I really need to explain more ? + * + * @param i The first integer + * @param j The second integer + * @return An integer containing the digits of both i and j + * + */ + int chain(int i, int j); + +} // namespace app4triqs diff --git a/deps/.gitignore b/deps/.gitignore new file mode 100644 index 00000000..72e8ffc0 --- /dev/null +++ b/deps/.gitignore @@ -0,0 +1 @@ +* diff --git a/deps/CMakeLists.txt b/deps/CMakeLists.txt new file mode 100644 index 00000000..e26dfbae --- /dev/null +++ b/deps/CMakeLists.txt @@ -0,0 +1,67 @@ +include(external_dependency.cmake) + +# Add your dependencies with the function +# +# external_dependency(name +# [VERSION ] +# [GIT_REPO ] +# [GIT_TAG ] +# [BUILD_ALWAYS] +# [EXCLUDE_FROM_ALL] +# ) +# +# Resolve the dependency using the following steps in order. +# If a step was successful, skip the remaining ones. +# +# 1. Use find_package(name []) +# to locate the package in the system. +# Skip this step if Build_Deps option is set. +# 2. Try to find a directory containing the sources +# at ${CMAKE_CURRENT_SOURCE_DIR}/name and +# ${CMAKE_SOURCE_DIR}/deps/name. If found +# build it as a cmake sub-project. +# 3. If GIT_REPO is provided, git clone the sources, +# and build them as a cmake sub-project. +# +# Addtional options: +# +# GIT_TAG - Use this keyword to specify the git-tag, branch or commit hash +# +# BUILD_ALWAYS - If set, this dependency will always be built from source +# and will never be searched in the system. +# +# EXCLUDE_FROM_ALL - If set, targets of the dependency cmake subproject +# will not be included in the ALL target of the project. +# In particular the dependency will not be installed. + +if(NOT DEFINED Build_Deps) + set(Build_Deps "Always" CACHE STRING "Do we build dependencies from source? [Never/Always/IfNotFound]") +else() + set(Build_Deps_Opts "Never" "Always" "IfNotFound") + if(NOT ${Build_Deps} IN_LIST Build_Deps_Opts) + message(FATAL_ERROR "Build_Deps option should be either 'Never', 'Always' or 'IfNotFound'") + endif() + set(Build_Deps ${Build_Deps} CACHE STRING "Do we build dependencies from source? [Never/Always/IfNotFound]") + if(NOT IS_SUBPROJECT AND NOT Build_Deps STREQUAL "Always" AND (ASAN OR UBSAN)) + message(WARNING "For builds with llvm sanitizers (ASAN/UBSAN) it is recommended to use -DBuild_Deps=Always to avoid false positives.") + endif() +endif() + +# -- Cpp2Py -- +if(PythonSupport OR (NOT IS_SUBPROJECT AND Build_Documentation)) + external_dependency(Cpp2Py + GIT_REPO https://github.com/TRIQS/cpp2py + VERSION 2.0 + GIT_TAG unstable + BUILD_ALWAYS + EXCLUDE_FROM_ALL + ) +endif() + +# -- GTest -- +external_dependency(GTest + GIT_REPO https://github.com/google/googletest + GIT_TAG main + BUILD_ALWAYS + EXCLUDE_FROM_ALL +) diff --git a/deps/external_dependency.cmake b/deps/external_dependency.cmake new file mode 100644 index 00000000..252cead8 --- /dev/null +++ b/deps/external_dependency.cmake @@ -0,0 +1,95 @@ +# Copyright (c) 2020 Simons Foundation +# +# This program is free software: you can redistribute it and/or modify +# it under the terms of the GNU General Public License as published by +# the Free Software Foundation, either version 3 of the License, or +# (at your option) any later version. +# +# This program is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +# GNU General Public License for more details. +# +# You may obtain a copy of the License at +# https://www.gnu.org/licenses/gpl-3.0.txt + + +# Consider ROOT env variables in find_package +if(POLICY CMP0074) + cmake_policy(SET CMP0074 NEW) +endif() + +# Make sure that imported targets are always global +get_property(IMPORTED_ALWAYS_GLOBAL GLOBAL PROPERTY IMPORTED_ALWAYS_GLOBAL) +if(NOT IMPORTED_ALWAYS_GLOBAL) + function(add_library) + set(_args ${ARGN}) + if ("${_args}" MATCHES ";IMPORTED") + list(APPEND _args GLOBAL) + endif() + _add_library(${_args}) + endfunction() + set_property(GLOBAL PROPERTY IMPORTED_ALWAYS_GLOBAL TRUE) +endif() + +# Define External Dependency Function +function(external_dependency) + cmake_parse_arguments(ARG "EXCLUDE_FROM_ALL;BUILD_ALWAYS" "VERSION;GIT_REPO;GIT_TAG" "" ${ARGN}) + + # -- Was dependency already found? + get_property(${ARGV0}_FOUND GLOBAL PROPERTY ${ARGV0}_FOUND) + if(${ARGV0}_FOUND) + message(STATUS "Dependency ${ARGV0} was already resolved.") + return() + endif() + + # -- Try to find package in system. + if(NOT ARG_BUILD_ALWAYS AND NOT Build_Deps STREQUAL "Always") + find_package(${ARGV0} ${ARG_VERSION} QUIET HINTS ${CMAKE_INSTALL_PREFIX}) + if(${ARGV0}_FOUND) + message(STATUS "Found dependency ${ARGV0} in system ${${ARGV0}_ROOT}") + return() + elseif(Build_Deps STREQUAL "Never") + message(FATAL_ERROR "Could not find dependency ${ARGV0} in system. Please install the dependency manually or use -DBuild_Deps=IfNotFound during cmake configuration to automatically build all dependencies that are not found.") + endif() + endif() + + # -- Build package from source + message(STATUS " =============== Configuring Dependency ${ARGV0} =============== ") + if(ARG_EXCLUDE_FROM_ALL) + set(subdir_opts EXCLUDE_FROM_ALL) + set(Build_Tests OFF) + set(Build_Documentation OFF) + endif() + if(IS_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/${ARGV0}) + message(STATUS "Found sources for dependency ${ARGV0} at ${CMAKE_CURRENT_SOURCE_DIR}/${ARGV0}") + add_subdirectory(${ARGV0} ${subdir_opts}) + elseif(IS_DIRECTORY ${CMAKE_SOURCE_DIR}/deps/${ARGV0}) + message(STATUS "Found sources for dependency ${ARGV0} at ${CMAKE_SOURCE_DIR}/deps/${ARGV0}") + add_subdirectory(${ARGV0} ${subdir_opts}) + elseif(ARG_GIT_REPO) + set(bin_dir ${CMAKE_CURRENT_BINARY_DIR}/${ARGV0}) + set(src_dir ${bin_dir}_src) + if(NOT IS_DIRECTORY ${src_dir}) + if(ARG_GIT_TAG) + set(clone_opts --branch ${ARG_GIT_TAG} -c advice.detachedHead=false) + endif() + if(NOT GIT_EXECUTABLE) + find_package(Git REQUIRED) + endif() + execute_process(COMMAND ${GIT_EXECUTABLE} clone ${ARG_GIT_REPO} --depth 1 ${clone_opts} ${src_dir} + RESULT_VARIABLE clone_failed + ERROR_VARIABLE clone_error + ) + if(clone_failed) + message(FATAL_ERROR "Failed to clone sources for dependency ${ARGV0}.\n ${clone_error}") + endif() + endif() + add_subdirectory(${src_dir} ${bin_dir} ${subdir_opts}) + else() + message(FATAL_ERROR "Could not find or build dependency ${ARGV0}") + endif() + message(STATUS " =============== End ${ARGV0} Configuration =============== ") + set_property(GLOBAL PROPERTY ${ARGV0}_FOUND TRUE) + +endfunction() diff --git a/doc/CMakeLists.txt b/doc/CMakeLists.txt new file mode 100644 index 00000000..40eb49cd --- /dev/null +++ b/doc/CMakeLists.txt @@ -0,0 +1,81 @@ +# Generate the sphinx config file +configure_file(${CMAKE_CURRENT_SOURCE_DIR}/conf.py.in ${CMAKE_CURRENT_BINARY_DIR}/conf.py @ONLY) + +# ----------------------------------------------------------------------------- +# Create an optional target that allows us to regenerate the C++ doc with c++2rst +# ----------------------------------------------------------------------------- +add_custom_target(${PROJECT_NAME}_docs_cpp2rst) +include(${PROJECT_SOURCE_DIR}/share/cmake/extract_flags.cmake) +extract_flags(${PROJECT_NAME}_c BUILD_INTERFACE) +separate_arguments(${PROJECT_NAME}_c_CXXFLAGS) +macro(generate_docs header_file) + add_custom_command( + TARGET ${PROJECT_NAME}_docs_cpp2rst + COMMAND rm -rf ${CMAKE_CURRENT_SOURCE_DIR}/cpp2rst_generated + COMMAND + PYTHONPATH=${CPP2PY_BINARY_DIR}:$ENV{PYTHONPATH} + PATH=${CPP2PY_BINARY_DIR}/bin:${CPP2PY_ROOT}/bin:$ENV{PATH} + c++2rst + ${header_file} + -N ${PROJECT_NAME} + --output_directory ${CMAKE_CURRENT_SOURCE_DIR}/cpp2rst_generated + -I${PROJECT_SOURCE_DIR}/c++ + --cxxflags="${${PROJECT_NAME}_c_CXXFLAGS}" + ) +endmacro(generate_docs) + +generate_docs(${PROJECT_SOURCE_DIR}/c++/${PROJECT_NAME}/${PROJECT_NAME}.hpp) + +# -------------------------------------------------------- +# Build & Run the C++ doc examples and capture the output +# -------------------------------------------------------- + +add_custom_target(${PROJECT_NAME}_docs_example_output) +file(GLOB_RECURSE ExampleList RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.cpp) +foreach(example ${ExampleList}) + get_filename_component(f ${example} NAME_WE) + get_filename_component(d ${example} DIRECTORY) + add_executable(${PROJECT_NAME}_doc_${f} EXCLUDE_FROM_ALL ${example}) + set_property(TARGET ${PROJECT_NAME}_doc_${f} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${d}) + target_link_libraries(${PROJECT_NAME}_doc_${f} triqs) + add_custom_command(TARGET ${PROJECT_NAME}_doc_${f} + COMMAND ${PROJECT_NAME}_doc_${f} > ${CMAKE_CURRENT_SOURCE_DIR}/${d}/${f}.output 2>/dev/null + WORKING_DIRECTORY ${d} + ) + add_dependencies(${PROJECT_NAME}_docs_example_output ${PROJECT_NAME}_doc_${f}) +endforeach() + +# --------------------------------- +# Top Sphinx target +# --------------------------------- +if(NOT DEFINED SPHINXBUILD_EXECUTABLE) + find_package(Sphinx) +endif() + +# Sphinx has internal caching, always run it +add_custom_target(${PROJECT_NAME}_docs_sphinx ALL) +add_custom_command( + TARGET ${PROJECT_NAME}_docs_sphinx + COMMAND PYTHONPATH=${PROJECT_BINARY_DIR}/python:$ENV{PYTHONPATH} ${SPHINXBUILD_EXECUTABLE} -j auto -c . -b html ${CMAKE_CURRENT_SOURCE_DIR} html +) + +option(Sphinx_Only "When building the documentation, skip the Python Modules and the generation of C++ Api and example outputs" OFF) +if(NOT Sphinx_Only) + # Autodoc usage requires the python modules to be built first + get_property(CPP2PY_MODULES_LIST GLOBAL PROPERTY CPP2PY_MODULES_LIST) + if(CPP2PY_MODULES_LIST) + add_dependencies(${PROJECT_NAME}_docs_sphinx ${CPP2PY_MODULES_LIST}) + endif() + + # Generation of C++ Api and Example Outputs + add_dependencies(${PROJECT_NAME}_docs_sphinx ${PROJECT_NAME}_docs_cpp2rst ${PROJECT_NAME}_docs_example_output) +endif() + +# --------------------------------- +# Install +# --------------------------------- +install(DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/html/ COMPONENT documentation DESTINATION share/doc/${PROJECT_NAME} + FILES_MATCHING + REGEX "\\.(html|pdf|png|gif|jpg|svg|ico|js|xsl|css|py|txt|inv|bib|ttf|woff2|eot|sh)$" + PATTERN "_*" +) diff --git a/doc/ChangeLog.md b/doc/ChangeLog.md new file mode 100644 index 00000000..8d708da5 --- /dev/null +++ b/doc/ChangeLog.md @@ -0,0 +1,35 @@ +(changelog)= + +# Changelog + +## Version 3.1.0 + +app4triqs version 3.1.0 is a compatibility +release for TRIQS version 3.1.0 that +* moves to cmake 3.12.4 and c++20 +* improves ghactions and jenkins configuration +* switches documentation to read-the-docs theme +* uses googletest main branch +* fixes several skeleton issues + +We thank all contributors: Alexander Hampel, Dylan Simon, Nils Wentzell + + +## Version 3.0.0 + +app4triqs version 3.0.0 is a compatibility +release for TRIQS version 3.0.0 that +* introduces compatibility with Python 3 (Python 2 no longer supported) +* adds a cmake-based dependency management +* fixes several application issues + + +## Version 2.2.0 + +app4triqs Version 2.2.0 provides a project +skeleton for TRIQS applications based on +the TRIQS Library Version 2.2.0. +It is intended for applications with both +Python and C++ components. + +This is the initial release for this project. diff --git a/doc/_static/css/custom.css b/doc/_static/css/custom.css new file mode 100644 index 00000000..a8c2f1bd --- /dev/null +++ b/doc/_static/css/custom.css @@ -0,0 +1,5 @@ +@import url("theme.css"); + +.wy-nav-content { + max-width: 70em; +} diff --git a/doc/_static/logo_cea.png b/doc/_static/logo_cea.png new file mode 100644 index 0000000000000000000000000000000000000000..1a28b4397aa7c390457f019800f7a65c7abf3207 GIT binary patch literal 40013 zcmXtfbzD>L8#drjN@}!-uTO5V<96TAh-+DQZpnVxCJI4Ac`O%0zTpK 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text-align: right; +} + +/* no need to make a visible link to Sphinx on the Sphinx page */ +div.footer a { + color: #ccc; +} + +/* -- body styles ----------------------------------------------------------- */ + +p { + margin: 0.8em 0 0.5em 0; +} + +a { + color: #A2881D; + text-decoration: none; +} + +a:hover { + color: #E1C13F; +} + +div.body a { + text-decoration: underline; +} + +h1 { + margin: 10px 0 0 0; + font-size: 2.4em; + color: #0A507A; + font-weight: 300; +} + +h2 { + margin: 1.em 0 0.2em 0; + font-size: 1.5em; + font-weight: 300; + padding: 0; + color: #174967; +} + +h3 { + margin: 1em 0 -0.3em 0; + font-size: 1.3em; + font-weight: 300; +} + +div.body h1 a, div.body h2 a, div.body h3 a, div.body h4 a, div.body h5 a, div.body h6 a { + text-decoration: none; +} + +div.body h1 a tt, div.body h2 a tt, div.body h3 a tt, div.body h4 a tt, div.body h5 a tt, div.body h6 a tt { + color: #0A507A !important; + font-size: inherit !important; +} + +a.headerlink { + color: #0A507A !important; + font-size: 12px; + margin-left: 6px; + padding: 0 4px 0 4px; + text-decoration: none !important; + float: right; +} + +a.headerlink:hover { + background-color: #ccc; + color: white!important; +} + +cite, code, tt { + font-family: 'Consolas', 'DejaVu Sans Mono', + 'Bitstream Vera Sans Mono', monospace; + font-size: 14px; + letter-spacing: -0.02em; +} + +tt { + background-color: #f2f2f2; + border: 1px solid #ddd; + border-radius: 2px; + color: #333; + padding: 1px; +} + +tt.descname, tt.descclassname, tt.xref { + border: 0; +} + +hr { + border: 1px solid #abc; + margin: 2em; +} + +a tt { + border: 0; + color: #a2881d; +} + +a tt:hover { + color: #e1c13f; +} + +pre { + font-family: 'Consolas', 'DejaVu Sans Mono', + 'Bitstream Vera Sans Mono', monospace; + font-size: 13px; + letter-spacing: 0.015em; + line-height: 120%; + padding: 0.5em; + border: 1px solid #ccc; + border-radius: 2px; + background-color: #f8f8f8; +} + +pre a { + color: inherit; + text-decoration: underline; +} + +td.linenos pre { + padding: 0.5em 0; +} + +div.quotebar { + background-color: #f8f8f8; + max-width: 250px; + float: right; + padding: 0px 7px; + border: 1px solid #ccc; + margin-left: 1em; +} + +div.topic { + background-color: #f8f8f8; +} + +table { + border-collapse: collapse; + margin: 0 -0.5em 0 -0.5em; +} + +table td, table th { + padding: 0.2em 0.5em 0.2em 0.5em; +} + +div.admonition, div.warning { + font-size: 0.9em; + margin: 1em 0 1em 0; + border: 1px solid #86989B; + border-radius: 2px; + background-color: #f7f7f7; + padding: 0; +} + +div.admonition p, div.warning p { + margin: 0.5em 1em 0.5em 1em; + padding: 0; +} + +div.admonition pre, div.warning pre { + margin: 0.4em 1em 0.4em 1em; +} + +div.admonition p.admonition-title, +div.warning p.admonition-title { + margin-top: 1em; + padding-top: 0.5em; + font-weight: bold; +} + +div.warning { + border: 1px solid #940000; +/* background-color: #FFCCCF;*/ +} + +div.warning p.admonition-title { +} + +div.admonition ul, div.admonition ol, +div.warning ul, div.warning ol { + margin: 0.1em 0.5em 0.5em 3em; + padding: 0; +} + +div.admonition .highlight, div.warning .highlight { + background-color: #f7f7f7; +} + +.viewcode-back { + font-family: 'Open Sans', 'Lucida Grande', 'Lucida Sans Unicode', 'Geneva', + 'Verdana', sans-serif; +} + +div.viewcode-block:target { + background-color: #f4debf; + border-top: 1px solid #ac9; + border-bottom: 1px solid #ac9; +} + + +.my-code-block.std-ref { + color : red; +} + +.cppbrief { + color: #C6792C; + font-style: oblique; +} + +.cppsynopsis { + background-color: #E7EDF9; + /*font-family: 'Open Sans', 'Lucida Grande', 'Lucida Sans Unicode', 'Geneva', 'Verdana', sans-serif;*/ + /*font-family: monospace; */ + font-family: Verdana, Arial, Lucida Console; + font-size=80%; + /*font-style: oblique;*/ + /* white-space: pre;*/ +} + + + diff --git a/doc/themes/triqs/theme.conf b/doc/themes/triqs/theme.conf new file mode 100644 index 00000000..96ca439a --- /dev/null +++ b/doc/themes/triqs/theme.conf @@ -0,0 +1,4 @@ +[theme] +inherit = basic +stylesheet = triqs.css +pygments_style = sphinx diff --git a/packaging/CMakeLists.txt b/packaging/CMakeLists.txt new file mode 100644 index 00000000..748dc4a5 --- /dev/null +++ b/packaging/CMakeLists.txt @@ -0,0 +1,7 @@ +# Configure the version of packaging files +configure_file(conda/meta.yaml.in conda/meta.yaml) +configure_file(conda/build.sh conda/build.sh COPYONLY) +configure_file(conda/conda_build_config.yaml conda/conda_build_config.yaml COPYONLY) +configure_file(TRIQS-app4triqs-foss-2021b.eb.in TRIQS-app4triqs-foss-2021b.eb) + + diff --git a/packaging/TRIQS-app4triqs-foss-2021b.eb.in b/packaging/TRIQS-app4triqs-foss-2021b.eb.in new file mode 100644 index 00000000..384c7818 --- /dev/null +++ b/packaging/TRIQS-app4triqs-foss-2021b.eb.in @@ -0,0 +1,60 @@ +easyblock = 'CMakeMake' + +name = 'TRIQS-app4triqs' +version = '@PROJECT_VERSION@' + +homepage = 'https://triqs.github.io/app4triqs/' +description = """ + PROVIDE HERE A DESCRIPTION OF YOUR APPLICATION +""" + +docurls = ['https://triqs.github.io/app4triqs/%(version_major_minor)s.x/'] +software_license = 'LicenseGPLv3' + +toolchain = {'name': 'foss', 'version': '2021b'} +toolchainopts = {'pic': True, 'usempi': True} + +source_urls = ['https://github.com/TRIQS/app4triqs/releases/download/%(version)s/'] +sources = ['app4triqs-%(version)s.tar.gz'] +checksums = ['PUT HERE THE SHA256 OF THE RELEASE TARBALL'] + +dependencies = [ + ('Python', '3.9.6'), + ('SciPy-bundle', '2021.10'), + ('Boost', '1.77.0'), + ('Clang', '13.0.1'), + ('Clang-Python-bindings', '13.0.1'), + ('GMP', '6.2.1'), + ('HDF5', '1.10.7'), + ('Mako', '1.1.4'), + ('TRIQS', '3.3.0'), + ('NFFT', '3.5.2') +] + +builddependencies = [ + ('CMake', '3.22.1') +] + +separate_build_dir = True + +runtest = 'test' + +sanity_check_paths = { + 'files': ['lib/libapp4triqs_c.a'], + 'dirs': ['include/app4triqs', 'lib', 'share', + 'lib/python%(pyshortver)s/site-packages/app4triqs'], +} + +sanity_check_commands = ["python -c 'import app4triqs'"] + +modextrapaths = { + 'CPLUS_INCLUDE_PATH': 'include', + 'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages', + 'CMAKE_PREFIX_PATH': 'lib/cmake/app4triqs', +} +modextravars = { + 'APP4TRIQS_ROOT': '%(installdir)s', + 'APP4TRIQS_VERSION': '%(version)s', +} + +moduleclass = 'phys' diff --git a/packaging/conda/build.sh b/packaging/conda/build.sh new file mode 100644 index 00000000..740a84dd --- /dev/null +++ b/packaging/conda/build.sh @@ -0,0 +1,22 @@ +#!/usr/bin/env bash + +mkdir build +cd build + +# Openmpi Specific environment setup - Cf. https://github.com/conda-forge/libnetcdf-feedstock/pull/80 +export OMPI_MCA_btl=self,tcp +export OMPI_MCA_plm=isolated +export OMPI_MCA_rmaps_base_oversubscribe=yes +export OMPI_MCA_btl_vader_single_copy_mechanism=none +mpiexec="mpiexec --allow-run-as-root" + +source $PREFIX/share/triqs/triqsvars.sh + +cmake \ + -DCMAKE_INSTALL_PREFIX=$PREFIX \ + -DCMAKE_BUILD_TYPE=Release \ + .. + +make -j${CPU_COUNT} VERBOSE=1 +CTEST_OUTPUT_ON_FAILURE=1 ctest +make install diff --git a/packaging/conda/conda_build_config.yaml b/packaging/conda/conda_build_config.yaml new file mode 100644 index 00000000..289631fa --- /dev/null +++ b/packaging/conda/conda_build_config.yaml @@ -0,0 +1,3 @@ +mpi: + - mpich + - openmpi diff --git a/packaging/conda/meta.yaml.in b/packaging/conda/meta.yaml.in new file mode 100644 index 00000000..bad6e1cd --- /dev/null +++ b/packaging/conda/meta.yaml.in @@ -0,0 +1,57 @@ +{% set version = "@PROJECT_VERSION@" %} + +package: + name: app4triqs + version: {{ version }} + +source: + url: https://github.com/TRIQS/app4triqs/releases/download/{{ version }}/app4triqs-{{ version }}.tar.gz + sha256: PUT HERE THE SHA256 OF YOUR RELEASE TARBALL + +build: + number: 0 + skip: True # [win or py<30] + +requirements: + build: + - cmake + - make + - {{ compiler('c') }} + - {{ compiler('cxx') }} + host: + - triqs {{ '.'.join(version.split('.')[:2]) }} + - boost-cpp + - hdf5 + - {{ mpi }} + - libblas + - liblapack + - python + run: + - {{ pin_compatible("triqs", max_pin="x.x") }} + - boost-cpp + - hdf5 + - {{ mpi }} + - libblas + - liblapack + - python + +test: + commands: + - export OMPI_MCA_btl=self,tcp + - export OMPI_MCA_plm=isolated + - export OMPI_MCA_rmaps_base_oversubscribe=yes + - export OMPI_MCA_btl_vader_single_copy_mechanism=none + - export mpiexec="mpiexec --allow-run-as-root" + - python -c "import app4triqs" + +about: + home: https://triqs.github.io/app4triqs + license: GPL-3.0-or-later + license_family: GPL + license_file: LICENSE.txt + summary: 'An application based on the TRIQS library' + +extra: + recipe-maintainers: + - wentzell + - pgunn diff --git a/python/app4triqs/CMakeLists.txt b/python/app4triqs/CMakeLists.txt new file mode 100644 index 00000000..753f3145 --- /dev/null +++ b/python/app4triqs/CMakeLists.txt @@ -0,0 +1,26 @@ +# Configure the version +configure_file(version.py.in version.py) + +# All Python files. Copy them in the build dir to have a complete package for the tests. +file(GLOB_RECURSE python_sources RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.py) +file(GLOB_RECURSE wrap_generators RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *_desc.py) +list(REMOVE_ITEM python_sources "${wrap_generators}") +foreach(file ${python_sources}) + configure_file(${file} ${file} COPYONLY) +endforeach() + +# Install python files to proper location +set(PYTHON_LIB_DEST ${TRIQS_PYTHON_LIB_DEST_ROOT}/${PROJECT_NAME}) +install(FILES ${CMAKE_CURRENT_BINARY_DIR}/version.py DESTINATION ${PYTHON_LIB_DEST}) +install(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR} DESTINATION ${TRIQS_PYTHON_LIB_DEST_ROOT} FILES_MATCHING PATTERN "*.py" PATTERN "*_desc.py" EXCLUDE) + +# Build and install any python modules +foreach(gen ${wrap_generators}) + string(REPLACE "_desc.py" "" gen ${gen}) + get_filename_component(module_name ${gen} NAME_WE) + get_filename_component(module_dir ${gen} DIRECTORY) + add_cpp2py_module(NAME ${module_name} DIRECTORY ${module_dir}) + add_library(${PROJECT_NAME}::${module_name} ALIAS ${module_name}) + target_link_libraries(${module_name} ${PROJECT_NAME}_c triqs_py) + install(TARGETS ${module_name} DESTINATION ${PYTHON_LIB_DEST}/${module_dir}) +endforeach() diff --git a/python/app4triqs/__init__.py b/python/app4triqs/__init__.py new file mode 100644 index 00000000..1d6bdf56 --- /dev/null +++ b/python/app4triqs/__init__.py @@ -0,0 +1,30 @@ +################################################################################ +# +# TRIQS: a Toolbox for Research in Interacting Quantum Systems +# +# Copyright (C) 2016-2018, N. Wentzell +# Copyright (C) 2018-2019, The Simons Foundation +# author: N. Wentzell +# +# TRIQS is free software: you can redistribute it and/or modify it under the +# terms of the GNU General Public License as published by the Free Software +# Foundation, either version 3 of the License, or (at your option) any later +# version. +# +# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY +# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more +# details. +# +# You should have received a copy of the GNU General Public License along with +# TRIQS. If not, see . +# +################################################################################ + +r""" +DOC + +""" +from .app4triqs_module import Toto, chain + +__all__ = ['Toto', 'chain'] diff --git a/python/app4triqs/app4triqs_module_desc.py b/python/app4triqs/app4triqs_module_desc.py new file mode 100644 index 00000000..161e72f7 --- /dev/null +++ b/python/app4triqs/app4triqs_module_desc.py @@ -0,0 +1,76 @@ +# Generated automatically using the command : +# c++2py ../../c++/app4triqs/app4triqs.hpp -p --members_read_only -N app4triqs -a app4triqs -m app4triqs_module -o app4triqs_module --moduledoc="The app4triqs python module" -C triqs --cxxflags="-std=c++17" --target_file_only +from cpp2py.wrap_generator import * + +# The module +module = module_(full_name = "app4triqs_module", doc = r"The app4triqs python module", app_name = "app4triqs") + +# Imports + +# Add here all includes +module.add_include("app4triqs/app4triqs.hpp") + +# Add here anything to add in the C++ code at the start, e.g. namespace using +module.add_preamble(""" +#include + +using namespace app4triqs; +""") + + +# The class toto +c = class_( + py_type = "Toto", # name of the python class + c_type = "app4triqs::toto", # name of the C++ class + doc = r"""A very useful and important class""", # doc of the C++ class + hdf5 = True, + arithmetic = ("add_only"), + comparisons = "==", + serializable = "tuple" +) + +c.add_constructor("""()""", doc = r"""""") + +c.add_constructor("""(int i_)""", doc = r"""Construct from integer + +Parameters +---------- +i_ + a scalar :math:`G(\tau)`""") + +c.add_method("""int f (int u)""", + doc = r"""A simple function with :math:`G(\tau)` + +Parameters +---------- +u + Nothing useful""") + +c.add_method("""std::string hdf5_format ()""", + is_static = True, + doc = r"""HDF5""") + +c.add_property(name = "i", + getter = cfunction("int get_i ()"), + doc = r"""Simple accessor""") + +module.add_class(c) + +module.add_function ("int app4triqs::chain (int i, int j)", doc = r"""Chain digits of two integers + +Parameters +---------- +i + The first integer + +j + The second integer + +Returns +------- +out + An integer containing the digits of both i and j""") + + + +module.generate_code() diff --git a/python/app4triqs/version.py.in b/python/app4triqs/version.py.in new file mode 100644 index 00000000..2d63daf1 --- /dev/null +++ b/python/app4triqs/version.py.in @@ -0,0 +1,32 @@ +################################################################################ +# +# TRIQS: a Toolbox for Research in Interacting Quantum Systems +# +# Copyright (C) 2016-2018, N. Wentzell +# Copyright (C) 2018-2019, Simons Foundation +# author: N. Wentzell +# +# TRIQS is free software: you can redistribute it and/or modify it under the +# terms of the GNU General Public License as published by the Free Software +# Foundation, either version 3 of the License, or (at your option) any later +# version. +# +# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY +# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS +# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more +# details. +# +# You should have received a copy of the GNU General Public License along with +# TRIQS. If not, see . +# +################################################################################ + +version = "@PROJECT_VERSION@" +triqs_hash = "@TRIQS_GIT_HASH@" +@PROJECT_NAME@_hash = "@PROJECT_GIT_HASH@" + +def show_version(): + print("\nYou are using @PROJECT_NAME@ version %s\n"%version) + +def show_git_hash(): + print("\nYou are using @PROJECT_NAME@ git hash %s based on triqs git hash %s\n"%("@PROJECT_GIT_HASH@", triqs_hash)) diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 00000000..5fa6fa3d --- /dev/null +++ b/requirements.txt @@ -0,0 +1,11 @@ +# Required python packages for this application (these should also be added to Dockerfile for Jenkins) +mako +numpy +scipy +# For documentation builds we additionaly require +#sphinx +#numpydoc +#nbsphinx +#sphinx_rtd_theme +#myst_parser +#linkify-it-py diff --git a/share/CMakeLists.txt b/share/CMakeLists.txt new file mode 100644 index 00000000..8d258a5f --- /dev/null +++ b/share/CMakeLists.txt @@ -0,0 +1,37 @@ +add_subdirectory(cmake) + +if(NOT IS_SUBPROJECT + AND NOT CMAKE_INSTALL_PREFIX STREQUAL TRIQS_ROOT + AND NOT CMAKE_INSTALL_PREFIX STREQUAL "/usr" + AND NOT CMAKE_INSTALL_PREFIX STREQUAL "/usr/local" +) + + if(PythonSupport) + set(EXPORT_PYTHON_PATH "export PYTHONPATH=${CMAKE_INSTALL_PREFIX}/${CPP2PY_PYTHON_LIB_DEST_ROOT}:$PYTHONPATH") + set(MODFILE_PYTHON_PATH "prepend-path PYTHONPATH $root/${CPP2PY_PYTHON_LIB_DEST_ROOT}") + endif() + + configure_file(${PROJECT_NAME}.modulefile.in ${PROJECT_NAME}.modulefile @ONLY) + configure_file(${PROJECT_NAME}vars.sh.in ${PROJECT_NAME}vars.sh @ONLY) + + install( + FILES + ${CMAKE_CURRENT_BINARY_DIR}/${PROJECT_NAME}.modulefile + ${CMAKE_CURRENT_BINARY_DIR}/${PROJECT_NAME}vars.sh + DESTINATION share/${PROJECT_NAME} + ) + + message(STATUS "*********************************************************************************") + message(STATUS "* Custom install Location. Use: ") + message(STATUS "* ") + message(STATUS "* source ${CMAKE_INSTALL_PREFIX}/share/${PROJECT_NAME}/${PROJECT_NAME}vars.sh ") + message(STATUS "* ") + message(STATUS "* to set up the environment variables ") + if(DEFINED ENV{MODULEPATH}) + message(STATUS "* ") + message(STATUS "* Consider copying ${CMAKE_CURRENT_BINARY_DIR}/${PROJECT_NAME}.modulefile ") + message(STATUS "* into your environment module directories ") + endif() + message(STATUS "*********************************************************************************") + +endif() diff --git a/share/app4triqs.modulefile.in b/share/app4triqs.modulefile.in new file mode 100644 index 00000000..2c9befe8 --- /dev/null +++ b/share/app4triqs.modulefile.in @@ -0,0 +1,39 @@ +#%Module1.0 +# +# To be installed as ${MODULEPATH}/@PROJECT_NAME@/@PROJECT_VERSION@ + +set name @PROJECT_NAME@ +set version @PROJECT_VERSION@ +set root @CMAKE_INSTALL_PREFIX@ +set git_hash @PROJECT_GIT_HASH@ + +set url "https://github.com/TRIQS/@PROJECT_NAME@" +set description "An example application using cpp2py and triqs." + +module-whatis "$description" + +proc ModulesHelp { } { + global description url version git_hash + puts stderr "Description: $description" + puts stderr "URL: $url" + puts stderr "Version: $version" + puts stderr "Git hash: $git_hash" +} + +# You may need to edit the next line if the triqs module +# is installed under a different name in your setup. +prereq triqs/@TRIQS_VERSION@ + +# Only one version of @PROJECT_NAME@ can be loaded at a time +conflict $name + +setenv @PROJECT_NAME@_ROOT $root +setenv @PROJECT_NAME@_VERSION $version +setenv @PROJECT_NAME@_GIT_HASH $git_hash + +prepend-path PATH $root/bin +prepend-path CPLUS_INCLUDE_PATH $root/include +prepend-path LIBRARY_PATH $root/lib +prepend-path LD_LIBRARY_PATH $root/lib +prepend-path CMAKE_PREFIX_PATH $root +@MODFILE_PYTHON_PATH@ diff --git a/share/app4triqsvars.sh.in b/share/app4triqsvars.sh.in new file mode 100644 index 00000000..a499f10b --- /dev/null +++ b/share/app4triqsvars.sh.in @@ -0,0 +1,10 @@ +# Source this in your environment. + +export @PROJECT_NAME@_ROOT=@CMAKE_INSTALL_PREFIX@ + +export CPLUS_INCLUDE_PATH=@CMAKE_INSTALL_PREFIX@/include:$CPLUS_INCLUDE_PATH +export PATH=@CMAKE_INSTALL_PREFIX@/bin:$PATH +export LIBRARY_PATH=@CMAKE_INSTALL_FULL_LIBDIR@:$LIBRARY_PATH +export LD_LIBRARY_PATH=@CMAKE_INSTALL_FULL_LIBDIR@:$LD_LIBRARY_PATH +export CMAKE_PREFIX_PATH=@CMAKE_INSTALL_PREFIX@:$CMAKE_PREFIX_PATH +@EXPORT_PYTHON_PATH@ diff --git a/share/cmake/CMakeLists.txt b/share/cmake/CMakeLists.txt new file mode 100644 index 00000000..c845b7b4 --- /dev/null +++ b/share/cmake/CMakeLists.txt @@ -0,0 +1,10 @@ +configure_file(${PROJECT_NAME}-config.cmake.in ${PROJECT_NAME}-config.cmake @ONLY) +configure_file(${PROJECT_NAME}-config-version.cmake.in ${PROJECT_NAME}-config-version.cmake @ONLY) +install( + FILES + ${CMAKE_CURRENT_BINARY_DIR}/${PROJECT_NAME}-config.cmake + ${CMAKE_CURRENT_BINARY_DIR}/${PROJECT_NAME}-config-version.cmake + DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/${PROJECT_NAME} +) + +install(EXPORT ${PROJECT_NAME}-targets NAMESPACE ${PROJECT_NAME}:: DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/${PROJECT_NAME}) diff --git a/share/cmake/Modules/FindSphinx.cmake b/share/cmake/Modules/FindSphinx.cmake new file mode 100644 index 00000000..6901b853 --- /dev/null +++ b/share/cmake/Modules/FindSphinx.cmake @@ -0,0 +1,37 @@ +# Copyright Olivier Parcollet 2017. +# Distributed under the Boost Software License, Version 1.0. +# (See accompanying file LICENSE_1_0.txt or copy at +# http://www.boost.org/LICENSE_1_0.txt) + +# This module looks for sphinx documentation tool +# and define a function that prepares the Makefile for sphinx-build + +find_program(SPHINXBUILD_EXECUTABLE + NAMES sphinx-build + PATHS /usr/bin /opt/local/bin /usr/local/bin #opt/sphinx-doc/bin + PATH_SUFFIXES bin + ) + +if (NOT SPHINXBUILD_EXECUTABLE) + message(FATAL_ERROR "I cannot find sphinx to build the triqs documentation") +endif() + +execute_process( + COMMAND "${SPHINXBUILD_EXECUTABLE}" --version + OUTPUT_VARIABLE SPHINXBUILD_VERSION + ERROR_VARIABLE SPHINXBUILD_VERSION + ) +if (SPHINXBUILD_VERSION MATCHES "[Ss]phinx.* ([0-9]+\\.[0-9]+(\\.|b)[0-9]+)") + set (SPHINXBUILD_VERSION "${CMAKE_MATCH_1}") +endif() + +if (SPHINXBUILD_VERSION VERSION_EQUAL 1.6.3) + message(FATAL_ERROR "sphinx-build found at ${SPHINXBUILD_EXECUTABLE} but version 1.6.3 has a bug. Upgrade sphinx.") +else() + message(STATUS "sphinx-build program found at ${SPHINXBUILD_EXECUTABLE} with version ${SPHINXBUILD_VERSION}") +endif () + +include(FindPackageHandleStandardArgs) +FIND_PACKAGE_HANDLE_STANDARD_ARGS(Sphinx DEFAULT_MSG SPHINXBUILD_EXECUTABLE) + +mark_as_advanced( SPHINXBUILD_EXECUTABLE ) diff --git a/share/cmake/app4triqs-config-version.cmake.in b/share/cmake/app4triqs-config-version.cmake.in new file mode 100644 index 00000000..c4c43a4b --- /dev/null +++ b/share/cmake/app4triqs-config-version.cmake.in @@ -0,0 +1,13 @@ +set(PACKAGE_VERSION @PROJECT_VERSION@) + +if (PACKAGE_FIND_VERSION VERSION_EQUAL PACKAGE_VERSION) + set(PACKAGE_VERSION_EXACT TRUE) +endif() + +if (PACKAGE_FIND_VERSION VERSION_LESS PACKAGE_VERSION) + set(PACKAGE_VERSION_COMPATIBLE TRUE) +endif() + +if (PACKAGE_FIND_VERSION VERSION_GREATER PACKAGE_VERSION) + set(PACKAGE_VERSION_UNSUITABLE TRUE) +endif() diff --git a/share/cmake/app4triqs-config.cmake.in b/share/cmake/app4triqs-config.cmake.in new file mode 100644 index 00000000..b6bb5bbd --- /dev/null +++ b/share/cmake/app4triqs-config.cmake.in @@ -0,0 +1,40 @@ +# This file allows other CMake Projects to find us +# We provide general project information +# and reestablish the exported CMake Targets + +# Multiple inclusion guard +if(NOT @PROJECT_NAME@_FOUND) +set(@PROJECT_NAME@_FOUND TRUE) +set_property(GLOBAL PROPERTY @PROJECT_NAME@_FOUND TRUE) + +# version +set(@PROJECT_NAME@_VERSION @PROJECT_VERSION@ CACHE STRING "@PROJECT_NAME@ version") +set(@PROJECT_NAME@_GIT_HASH @PROJECT_GIT_HASH@ CACHE STRING "@PROJECT_NAME@ git hash") + +# Root of the installation +set(@PROJECT_NAME@_ROOT @CMAKE_INSTALL_PREFIX@ CACHE STRING "@PROJECT_NAME@ root directory") + +## Find the target dependencies +#function(find_dep) +# get_property(${ARGV0}_FOUND GLOBAL PROPERTY ${ARGV0}_FOUND) +# if(NOT ${ARGV0}_FOUND) +# find_package(${ARGN} REQUIRED HINTS @CMAKE_INSTALL_PREFIX@) +# endif() +#endfunction() +#find_dep(depname 1.0) + +# Include the exported targets of this project +include(@CMAKE_INSTALL_FULL_LIBDIR@/cmake/@PROJECT_NAME@/@PROJECT_NAME@-targets.cmake) + +message(STATUS "Found @PROJECT_NAME@-config.cmake with version @PROJECT_VERSION@, hash = @PROJECT_GIT_HASH@, root = @CMAKE_INSTALL_PREFIX@") + +# Was the Project built with Documentation? +set(@PROJECT_NAME@_WITH_DOCUMENTATION @Build_Documentation@ CACHE BOOL "Was @PROJECT_NAME@ build with documentation?") + +# Was the Project built with PythonSupport? +set(@PROJECT_NAME@_WITH_PYTHON_SUPPORT @PythonSupport@ CACHE BOOL "Was @PROJECT_NAME@ build with python support?") +if(@PythonSupport@) + set(@PROJECT_NAME@_MODULE_DIR @CMAKE_INSTALL_PREFIX@/@CPP2PY_PYTHON_LIB_DEST_ROOT@ CACHE BOOL "The @PROJECT_NAME@ python module directory") +endif() + +endif() diff --git a/share/cmake/extract_flags.cmake b/share/cmake/extract_flags.cmake new file mode 100644 index 00000000..dd4edffc --- /dev/null +++ b/share/cmake/extract_flags.cmake @@ -0,0 +1,125 @@ +# Copyright (c) 2019-2020 Simons Foundation +# +# This program is free software: you can redistribute it and/or modify +# it under the terms of the GNU General Public License as published by +# the Free Software Foundation, either version 3 of the License, or +# (at your option) any later version. +# +# This program is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +# GNU General Public License for more details. +# +# You may obtain a copy of the License at +# https://www.gnu.org/licenses/gpl-3.0.txt +# Author: Nils Wentzell + +# Recursively fetch all targets that the interface of a target depends upon +macro(get_all_interface_targets name target) + get_property(TARGET_LINK_LIBRARIES TARGET ${target} PROPERTY INTERFACE_LINK_LIBRARIES) + foreach(lib IN LISTS TARGET_LINK_LIBRARIES) + if(TARGET ${lib}) + # Append to list + list(APPEND ${name}_INTERFACE_TARGETS ${lib}) + # Recure into target dependencies + get_all_interface_targets(${name} ${lib}) + endif() + endforeach() +endmacro() + +# Extract the property from the target and recursively from all targets it depends upon +macro(get_property_recursive) + cmake_parse_arguments(get_property_recursive "" "TARGET" "PROPERTY" ${ARGN}) + set(target ${get_property_recursive_TARGET}) + set(property ${get_property_recursive_PROPERTY}) + get_all_interface_targets(${target} ${target}) + foreach(t IN LISTS ${target}_INTERFACE_TARGETS ITEMS ${target}) + get_property(p TARGET ${t} PROPERTY ${property}) + list(APPEND ${ARGV0} ${p}) + endforeach() + # Clean duplicates and any occurance of '/usr/include' dirs + if(${ARGV0}) + list(REMOVE_DUPLICATES ${ARGV0}) + list(REMOVE_ITEM ${ARGV0} /usr/include) + endif() +endmacro() + +# Recursively fetch all compiler flags attached to the interface of a target +macro(extract_flags) + + cmake_parse_arguments(ARG "BUILD_INTERFACE" "" "" ${ARGN}) + + set(target ${ARGV0}) + unset(${target}_CXXFLAGS) + unset(${target}_LDFLAGS) + + get_property_recursive(opts TARGET ${target} PROPERTY INTERFACE_COMPILE_OPTIONS) + foreach(opt ${opts}) + set(${target}_LDFLAGS "${${target}_LDFLAGS} ${opt}") + set(${target}_CXXFLAGS "${${target}_CXXFLAGS} ${opt}") + endforeach() + + get_property_recursive(cxx_features TARGET ${target} PROPERTY INTERFACE_COMPILE_FEATURES) + if(cxx_std_23 IN_LIST cxx_features) + set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -std=c++2b") + elseif(cxx_std_20 IN_LIST cxx_features) + set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -std=c++20") + elseif(cxx_std_17 IN_LIST cxx_features) + set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -std=c++17") + endif() + + get_property_recursive(defs TARGET ${target} PROPERTY INTERFACE_COMPILE_DEFINITIONS) + foreach(def ${defs}) + set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -D${def}") + endforeach() + + get_property_recursive(inc_dirs TARGET ${target} PROPERTY INTERFACE_INCLUDE_DIRECTORIES) + get_property_recursive(sys_inc_dirs TARGET ${target} PROPERTY INTERFACE_SYSTEM_INCLUDE_DIRECTORIES) + if(inc_dirs) + list(REMOVE_ITEM sys_inc_dirs ${inc_dirs}) + endif() + foreach(dir ${inc_dirs}) + set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -I${dir}") + endforeach() + foreach(dir ${sys_inc_dirs}) + set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -isystem${dir}") + endforeach() + + get_property_recursive(libs TARGET ${target} PROPERTY INTERFACE_LINK_LIBRARIES) + foreach(lib ${libs}) + if(NOT TARGET ${lib} AND NOT IS_DIRECTORY ${lib}) + set(${target}_LDFLAGS "${${target}_LDFLAGS} ${lib}") + endif() + endforeach() + + # ==== We have to replace generator expressions explicitly ==== + + if(ARG_BUILD_INTERFACE) + string(REGEX REPLACE "\\$" "\\1" ${target}_LDFLAGS "${${target}_LDFLAGS}") + string(REGEX REPLACE "\\$" "\\1" ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + else() + string(REGEX REPLACE "\\$" "\\1" ${target}_LDFLAGS "${${target}_LDFLAGS}") + string(REGEX REPLACE "\\$" "\\1" ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + endif() + + if(CMAKE_CXX_COMPILER_ID STREQUAL "GNU") + string(REGEX REPLACE "\\$<\\$:([^ ]*)>" "\\1" ${target}_LDFLAGS "${${target}_LDFLAGS}") + string(REGEX REPLACE "\\$<\\$:([^ ]*)>" "\\1" ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + elseif(CMAKE_CXX_COMPILER_ID STREQUAL "Clang") + string(REGEX REPLACE "\\$<\\$:([^ ]*)>" "\\1" ${target}_LDFLAGS "${${target}_LDFLAGS}") + string(REGEX REPLACE "\\$<\\$:([^ ]*)>" "\\1" ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + elseif(CMAKE_CXX_COMPILER_ID STREQUAL "AppleClang") + string(REGEX REPLACE "\\$<\\$:([^ ]*)>" "\\1" ${target}_LDFLAGS "${${target}_LDFLAGS}") + string(REGEX REPLACE "\\$<\\$:([^ ]*)>" "\\1" ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + endif() + + # Remove all remaining generator expressions + string(REGEX REPLACE " [^ ]*\\$<[^ ]*:[^>]*>" "" ${target}_LDFLAGS "${${target}_LDFLAGS}") + string(REGEX REPLACE " [^ ]*\\$<[^ ]*:[^>]*>" "" ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + + # Filter out system directories from LDFLAGS and CXXFLAGS + string(REGEX REPLACE " -L/usr/lib " " " ${target}_LDFLAGS "${${target}_LDFLAGS}") + string(REGEX REPLACE " -I/usr/include " " " ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + string(REGEX REPLACE " -isystem/usr/include " " " ${target}_CXXFLAGS "${${target}_CXXFLAGS}") + +endmacro() diff --git a/share/replace_and_rename.py b/share/replace_and_rename.py new file mode 100755 index 00000000..a773d19d --- /dev/null +++ b/share/replace_and_rename.py @@ -0,0 +1,51 @@ +#!/usr/bin/env python3 + +import sys +import os +import glob + +if len(sys.argv) != 2: + print("Please pass the application name") + sys.exit() + +app_name = str(sys.argv[1]).lower() +capital_name = app_name.upper() + +# Move app4triqs directories if necessary +if os.path.isdir("c++/app4triqs"): os.rename("c++/app4triqs", "c++/" + app_name) +if os.path.isdir("python/app4triqs"): os.rename("python/app4triqs", "python/" + app_name) + +# Ignore these files +ignore_lst = [".git/", "replace_and_rename.py", "squash_history.sh"] + +# Find the root directory of app4triqs +app4triqs_root = os.path.abspath(os.path.dirname(__file__) + "/..") + +# Blacklisted file-formats +fmt_blacklist = ['.png', '.h5', '.jpg', '.ico'] + +# Recurse over all subdirectories and files +for root, dirs, files in os.walk(app4triqs_root): + + for fname in files: + fpath = os.path.join(root, fname) + + if os.path.splitext(fname)[1] in fmt_blacklist: + continue + + # Ignore certain files / directories + if any(it in fpath for it in ignore_lst): continue + + if os.path.isfile(fpath): + # Rename files containing app4triqs in their filename + if "app4triqs" in fname: + new_fpath = os.path.join(root, fname.replace("app4triqs", app_name)) + os.rename(fpath, new_fpath) + fpath = new_fpath + + # Replace app4triqs and APP4TRIQS in all files + with open(fpath, 'r') as f: + s = f.read() + if "app4triqs" in s or "APP4TRIQS" in s: + with open(fpath, 'w') as f: + f.write(s.replace("app4triqs", app_name).replace("APP4TRIQS", capital_name)) diff --git a/share/squash_history.sh b/share/squash_history.sh new file mode 100755 index 00000000..8c03c08f --- /dev/null +++ b/share/squash_history.sh @@ -0,0 +1,6 @@ +#!/usr/bin/env bash + +git reset $(git commit-tree HEAD\^{tree} -m "Initialize project from github.com/triqs/app4triqs@$(git rev-parse --short HEAD)") +git merge --allow-unrelated-histories -s ours HEAD@{1} -m "Track app4triqs skeleton" +git remote rm origin +git remote add app4triqs_remote https://github.com/triqs/app4triqs diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt new file mode 100644 index 00000000..e79313ff --- /dev/null +++ b/test/CMakeLists.txt @@ -0,0 +1,5 @@ +add_subdirectory(c++) + +if(PythonSupport) + add_subdirectory(python) +endif() diff --git a/test/c++/CMakeLists.txt b/test/c++/CMakeLists.txt new file mode 100644 index 00000000..14ac6ae1 --- /dev/null +++ b/test/c++/CMakeLists.txt @@ -0,0 +1,35 @@ +# Copy h5 files to binary dir +file(GLOB_RECURSE all_h5_ref_files RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.ref.h5) +foreach(file ${all_h5_ref_files}) + configure_file(${file} ${file} COPYONLY) +endforeach() + +# List of all tests +file(GLOB_RECURSE all_tests RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.cpp) + +foreach(test ${all_tests}) + get_filename_component(test_name ${test} NAME_WE) + get_filename_component(test_dir ${test} DIRECTORY) + add_executable(${test_name} ${test}) + target_link_libraries(${test_name} ${PROJECT_NAME}::${PROJECT_NAME}_c ${PROJECT_NAME}_warnings gtest_main) + set_property(TARGET ${test_name} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${test_dir}) + add_test(NAME ${test_name} COMMAND ${test_name} WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${test_dir}) + # Run clang-tidy if found + if(CLANG_TIDY_EXECUTABLE) + set_target_properties(${test_name} PROPERTIES CXX_CLANG_TIDY "${CLANG_TIDY_EXECUTABLE}") + endif() + # Run cppcheck if found + if(CPPCHECK_EXECUTABLE) + add_custom_command( + TARGET ${test_name} + COMMAND ${CPPCHECK_EXECUTABLE} + --enable=warning,style,performance,portability + --std=c++20 + --template=gcc + --verbose + --force + --quiet + ${CMAKE_CURRENT_SOURCE_DIR}/${test} + ) + endif() +endforeach() diff --git a/test/c++/basic.cpp b/test/c++/basic.cpp new file mode 100644 index 00000000..aecf6894 --- /dev/null +++ b/test/c++/basic.cpp @@ -0,0 +1,30 @@ +#include +#include + +using namespace app4triqs; + +TEST(Toto, Add) { // NOLINT + + toto a(0); + toto b(2); + + auto c = a + b; + EXPECT_EQ(c, b); // NOLINT +} + +TEST(Toto, H5) { // NOLINT + + toto a(0); + { // Local scope for file + h5::file f("f.h5", 'w'); + h5_write(f, "a", a); + } + + toto a2; + { + h5::file f("f.h5", 'a'); + h5_read(f, "a", a2); + } + + EXPECT_EQ(a, a2); // NOLINT +} diff --git a/test/python/Basic.py b/test/python/Basic.py new file mode 100644 index 00000000..c0472fc5 --- /dev/null +++ b/test/python/Basic.py @@ -0,0 +1,50 @@ +#!/usr/bin/env python + +import unittest + +from app4triqs import Toto, chain +from h5 import * +from triqs.utility import mpi + +class test_toto(unittest.TestCase): + + def test_add(self): + + a=Toto(0) + b=Toto(2) + + c=a+b + self.assertEqual(c, b) + + + def test_h5(self): + + a=Toto(0) + with HDFArchive("f.h5",'w') as A: + A["a"] = a + with HDFArchive("f.h5",'r') as A: + a_read = A["a"] + self.assertEqual(a, a_read) + + + def test_mpi(self): + + a=Toto(0) + + if mpi.is_master_node(): + a=Toto(1) + mpi.bcast(a) + + self.assertEqual(a, Toto(1)) + +class test_chain(unittest.TestCase): + + def test_chain(self): + + i = 111 + j = 222 + ij = chain(i,j) + self.assertEqual(ij, 111222) + +if __name__ == '__main__': + unittest.main() diff --git a/test/python/CMakeLists.txt b/test/python/CMakeLists.txt new file mode 100644 index 00000000..aa9d877e --- /dev/null +++ b/test/python/CMakeLists.txt @@ -0,0 +1,15 @@ +# Copy h5 files to binary dir +file(GLOB_RECURSE all_h5_ref_files RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.ref.h5) +foreach(file ${all_h5_ref_files}) + configure_file(${file} ${file} COPYONLY) +endforeach() + +# List of all tests +set(all_tests Basic) + +foreach(test ${all_tests}) + get_filename_component(test_name ${test} NAME_WE) + get_filename_component(test_dir ${test} DIRECTORY) + add_test(NAME Py_${test_name} COMMAND ${TRIQS_PYTHON_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/${test_dir}/${test_name}.py WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${test_dir}) + set_property(TEST Py_${test_name} APPEND PROPERTY ENVIRONMENT PYTHONPATH=${PROJECT_BINARY_DIR}/python:$ENV{PYTHONPATH} ${SANITIZER_RT_PRELOAD}) +endforeach()
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escape | underline}} + +.. automodule:: {{ fullname }} + +{% block functions %} +{% if functions %} +.. rubric:: Functions + +.. autosummary:: + :toctree: + {% for item in functions %} + {{ item }} + {%- endfor %} +{% endif %} +{% endblock %} + +{% block attributes %} +{% if attributes %} +.. rubric:: Module Attributes + +.. autosummary:: + :toctree: + {% for item in attributes %} + {{ item }} + {%- endfor %} +{% endif %} +{% endblock %} + +{% block classes %} +{% if classes %} +.. rubric:: {{ _('Classes') }} + +.. autosummary:: + :toctree: + :template: autosummary_class_template.rst + {% for item in classes %} + {{ item }} + {%- endfor %} +{% endif %} +{% endblock %} + +{% block exceptions %} +{% if exceptions %} +.. rubric:: {{ _('Exceptions') }} + +.. autosummary:: + :toctree: + {% for item in exceptions %} + {{ item }} + {%- endfor %} +{% endif %} +{% endblock %} + +{% block modules %} +{% if modules %} +.. rubric:: Modules + +.. autosummary:: + :toctree: + :template: autosummary_module_template.rst + :recursive: + + {% for item in modules %} + {{ item }} + {%- endfor %} +{% endif %} +{% endblock %} + diff --git a/doc/_templates/sideb.html b/doc/_templates/sideb.html new file mode 100644 index 00000000..b4cc0b15 --- /dev/null +++ b/doc/_templates/sideb.html @@ -0,0 +1,14 @@ +

    + CEA + Ecole Polytechnique +
    + CNRS +ERC + Flatiron Institute +
    + Simons Foundation +

    +
    +

    + Visit the project on GitHub +

    diff --git a/doc/about.rst b/doc/about.rst new file mode 100644 index 00000000..c91ecb86 --- /dev/null +++ b/doc/about.rst @@ -0,0 +1,8 @@ +.. _about: + +About app4triqs +*************** + +An example application using ``cpp2py`` and TRIQS. + +Written and maintained by N. Wentzell with contributions from H. U.R. Strand. diff --git a/doc/conf.py.in b/doc/conf.py.in new file mode 100644 index 00000000..3eb0de9d --- /dev/null +++ b/doc/conf.py.in @@ -0,0 +1,144 @@ +# -*- coding: utf-8 -*- +# +# TRIQS documentation build configuration file + +import sys +sys.path.insert(0, "@CMAKE_CURRENT_SOURCE_DIR@/sphinxext") + +# exclude these folders from scanning by sphinx +exclude_patterns = ['_templates'] + +extensions = ['sphinx.ext.autodoc', + 'sphinx.ext.mathjax', + 'sphinx.ext.intersphinx', + 'sphinx.ext.doctest', + 'sphinx.ext.todo', + 'sphinx.ext.viewcode', + 'sphinx.ext.autosummary', + 'sphinx.ext.githubpages', + 'sphinx_autorun', + 'nbsphinx', + 'myst_parser', + 'matplotlib.sphinxext.plot_directive', + 'numpydoc'] + +myst_enable_extensions = [ + "amsmath", + "colon_fence", + "deflist", + "dollarmath", + "html_admonition", + "html_image", + "linkify", + "replacements", + "smartquotes", + "substitution", + "tasklist", +] + +# The name of the Pygments (syntax highlighting) style to use. +pygments_style = 'sphinx' + +source_suffix = '.rst' + +# Turn on sphinx.ext.autosummary +autosummary_generate = True +autosummary_imported_members=False + +project = '@PROJECT_NAME@' +version = '@PROJECT_VERSION@' + +# this makes the current project version available as var in every rst file +rst_epilog = """ +.. |PROJECT_VERSION| replace:: {version} +""".format( +version = version, +) + +copyright = '2018-2021 The Simons Foundation, authors: A. Hampel, O. Parcollet, D. Simons, H. Strand, N. Wentzell' + +mathjax_path = "https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.7/MathJax.js?config=default" +templates_path = ['@CMAKE_CURRENT_SOURCE_DIR@/_templates'] + +# this requires the sphinx_rtd_theme to be installed via pip +html_theme = 'sphinx_rtd_theme' +# this loads the custom css file to change the page width +html_style = 'css/custom.css' + +html_favicon = '@CMAKE_CURRENT_SOURCE_DIR@/_static/triqs_logo/triqs_favicon.ico' +#html_logo = '@CMAKE_CURRENT_SOURCE_DIR@/logos/logo.png' + +# options for the the rtd theme +html_theme_options = { + 'logo_only': False, + 'display_version': True, + 'prev_next_buttons_location': 'bottom', + 'style_external_links': False, + 'vcs_pageview_mode': '', + 'style_nav_header_background': '#7E588A', + # Toc options + 'collapse_navigation': False, + 'sticky_navigation': True, + 'navigation_depth': 5, + 'includehidden': True, + 'titles_only': False +} + +html_show_sphinx = False + +html_context = {'header_title': '@PROJECT_NAME@'} + +html_static_path = ['@CMAKE_CURRENT_SOURCE_DIR@/_static'] +html_sidebars = {'index': ['sideb.html', 'searchbox.html']} + +htmlhelp_basename = '@PROJECT_NAME@doc' + +# Plot options +plot_include_source = True +plot_html_show_source_link = False +plot_html_show_formats = False + +intersphinx_mapping = {'python': ('https://docs.python.org/3.11', None), 'triqslibs': ('https://triqs.github.io/triqs/latest', None)} + +# open links in new tab instead of same window +from sphinx.writers.html import HTMLTranslator +from docutils import nodes +from docutils.nodes import Element + +class PatchedHTMLTranslator(HTMLTranslator): + + def visit_reference(self, node: Element) -> None: + atts = {'class': 'reference'} + if node.get('internal') or 'refuri' not in node: + atts['class'] += ' internal' + else: + atts['class'] += ' external' + # --------------------------------------------------------- + # Customize behavior (open in new tab, secure linking site) + atts['target'] = '_blank' + atts['rel'] = 'noopener noreferrer' + # --------------------------------------------------------- + if 'refuri' in node: + atts['href'] = node['refuri'] or '#' + if self.settings.cloak_email_addresses and atts['href'].startswith('mailto:'): + atts['href'] = self.cloak_mailto(atts['href']) + self.in_mailto = True + else: + assert 'refid' in node, \ + 'References must have "refuri" or "refid" attribute.' + atts['href'] = '#' + node['refid'] + if not isinstance(node.parent, nodes.TextElement): + assert len(node) == 1 and isinstance(node[0], nodes.image) + atts['class'] += ' image-reference' + if 'reftitle' in node: + atts['title'] = node['reftitle'] + if 'target' in node: + atts['target'] = node['target'] + self.body.append(self.starttag(node, 'a', '', **atts)) + + if node.get('secnumber'): + self.body.append(('%s' + self.secnumber_suffix) % + '.'.join(map(str, node['secnumber']))) + +def setup(app): + app.set_translator('html', PatchedHTMLTranslator) diff --git a/doc/documentation.rst b/doc/documentation.rst new file mode 100644 index 00000000..a05d717f --- /dev/null +++ b/doc/documentation.rst @@ -0,0 +1,29 @@ +.. _documentation: + +Documentation +************* + + +.. math:: + + (a + b)^2 &= (a + b)(a + b) \\ + &= a^2 + 2ab + b^2 + + +C++ reference manual +==================== + +.. toctree:: + :maxdepth: 5 + + cpp2rst_generated/contents + +Python reference manual +======================= + +.. autosummary:: + :toctree: _autosummary + :template: autosummary_module_template.rst + :recursive: + + app4triqs diff --git a/doc/index.rst b/doc/index.rst new file mode 100644 index 00000000..94054b86 --- /dev/null +++ b/doc/index.rst @@ -0,0 +1,33 @@ +.. _welcome: + +app4triqs +********* + +.. sidebar:: app4triqs |PROJECT_VERSION| + + This is the homepage of app4triqs |PROJECT_VERSION|. + For changes see the :ref:`changelog page `. + + .. image:: _static/logo_github.png + :width: 75% + :align: center + :target: https://github.com/triqs/app4triqs + + +An example application using cpp2py and :ref:`TRIQS `. + +This documentation is generated based on `rst `_ files +and the comments in the sources and headers. + +Learn how to use app4triqs in the :ref:`documentation`. + + +.. toctree:: + :maxdepth: 2 + :hidden: + + install + documentation + issues + ChangeLog.md + about diff --git a/doc/install.rst b/doc/install.rst new file mode 100644 index 00000000..1c7766b7 --- /dev/null +++ b/doc/install.rst @@ -0,0 +1,77 @@ +.. highlight:: bash + +.. _install: + +Install app4triqs +******************* + +Compiling app4triqs from source +=============================== + +.. note:: To guarantee reproducibility in scientific calculations we strongly recommend the use of a stable `release `_ of both TRIQS and its applications. + +Prerequisites +------------- + +#. The :ref:`TRIQS ` library, see :ref:`TRIQS installation instruction `. + In the following, we assume that TRIQS is installed in the directory ``path_to_triqs``. + +Installation steps +------------------ + +#. Download the source code of the latest stable version by cloning the ``TRIQS/app4triqs`` repository from GitHub:: + + $ git clone https://github.com/TRIQS/app4triqs app4triqs.src + +#. Create and move to a new directory where you will compile the code:: + + $ mkdir app4triqs.build && cd app4triqs.build + +#. Ensure that your shell contains the TRIQS environment variables by sourcing the ``triqsvars.sh`` file from your TRIQS installation:: + + $ source path_to_triqs/share/triqs/triqsvars.sh + +#. In the build directory call cmake, including any additional custom CMake options, see below:: + + $ cmake ../app4triqs.src + +#. Compile the code, run the tests and install the application:: + + $ make + $ make test + $ make install + +Version compatibility +--------------------- + +Keep in mind that the version of ``app4triqs`` must be compatible with your TRIQS library version, +see :ref:`TRIQS website `. +In particular the Major and Minor Version numbers have to be the same. +To use a particular version, go into the directory with the sources, and look at all available versions:: + + $ cd app4triqs.src && git tag + +Checkout the version of the code that you want:: + + $ git checkout 2.1.0 + +and follow steps 2 to 4 above to compile the code. + +Custom CMake options +-------------------- + +The compilation of ``app4triqs`` can be configured using CMake-options:: + + cmake ../app4triqs.src -DOPTION1=value1 -DOPTION2=value2 ... + ++-----------------------------------------------------------------+-----------------------------------------------+ +| Options | Syntax | ++=================================================================+===============================================+ +| Specify an installation path other than path_to_triqs | -DCMAKE_INSTALL_PREFIX=path_to_app4triqs | ++-----------------------------------------------------------------+-----------------------------------------------+ +| Build in Debugging Mode | -DCMAKE_BUILD_TYPE=Debug | ++-----------------------------------------------------------------+-----------------------------------------------+ +| Disable testing (not recommended) | -DBuild_Tests=OFF | ++-----------------------------------------------------------------+-----------------------------------------------+ +| Build the documentation | -DBuild_Documentation=ON | ++-----------------------------------------------------------------+-----------------------------------------------+ diff --git a/doc/issues.rst b/doc/issues.rst new file mode 100644 index 00000000..bdd0d5c2 --- /dev/null +++ b/doc/issues.rst @@ -0,0 +1,23 @@ +.. _issues: + +Reporting issues +**************** + +Please report all problems and bugs directly at the github issue page +``_. In order to make it easier for us +to solve the issue please follow these guidelines: + +#. In all cases specify which version of the application you are using. You can + find the version number in the file :file:`CMakeLists.txt` at the root of the + application sources. + +#. If you have a problem during the installation, give us information about + your operating system and the compiler you are using. Include the outputs of + the ``cmake`` and ``make`` commands as well as the ``CMakeCache.txt`` file + which is in the build directory. Please include these outputs in a + `gist `_ file referenced in the issue. + +#. If you are experiencing a problem during the execution of the application, provide + a script which allows to quickly reproduce the problem. + +Thanks! diff --git a/doc/sphinxext/sphinx_autorun/__init__.py b/doc/sphinxext/sphinx_autorun/__init__.py new file mode 100644 index 00000000..1afa0377 --- /dev/null +++ b/doc/sphinxext/sphinx_autorun/__init__.py @@ -0,0 +1,93 @@ +# -*- coding: utf-8 -*- +""" +sphinxcontirb.autorun +~~~~~~~~~~~~~~~~~~~~~~ + +Run the code and insert stdout after the code block. +""" +import os +from subprocess import PIPE, Popen + +from docutils import nodes +from docutils.parsers.rst import Directive, directives +from sphinx.errors import SphinxError + +from sphinx_autorun import version + +__version__ = version.version + + +class RunBlockError(SphinxError): + category = 'runblock error' + + +class AutoRun(object): + here = os.path.abspath(__file__) + pycon = os.path.join(os.path.dirname(here), 'pycon.py') + config = { + 'pycon': 'python ' + pycon, + 'pycon_prefix_chars': 4, + 'pycon_show_source': False, + 'console': 'bash', + 'console_prefix_chars': 1, + } + + @classmethod + def builder_init(cls, app): + cls.config.update(app.builder.config.autorun_languages) + + +class RunBlock(Directive): + has_content = True + required_arguments = 1 + optional_arguments = 0 + final_argument_whitespace = False + option_spec = { + 'linenos': directives.flag, + } + + def run(self): + config = AutoRun.config + language = self.arguments[0] + + if language not in config: + raise RunBlockError('Unknown language %s' % language) + + # Get configuration values for the language + args = config[language].split() + input_encoding = config.get(language+'_input_encoding', 'utf8') + output_encoding = config.get(language+'_output_encoding', 'utf8') + prefix_chars = config.get(language+'_prefix_chars', 0) + show_source = config.get(language+'_show_source', True) + + # Build the code text + proc = Popen(args, bufsize=1, stdin=PIPE, stdout=PIPE, stderr=PIPE) + codelines = (line[prefix_chars:] for line in self.content) + code = u'\n'.join(codelines).encode(input_encoding) + + # Run the code + stdout, stderr = proc.communicate(code) + + # Process output + if stdout: + out = stdout.decode(output_encoding) + if stderr: + out = stderr.decode(output_encoding) + + # Get the original code with prefixes + if show_source: + code = u'\n'.join(self.content) + code_out = u'\n'.join((code, out)) + else: + code_out = out + + literal = nodes.literal_block(code_out, code_out) + literal['language'] = language + literal['linenos'] = 'linenos' in self.options + return [literal] + + +def setup(app): + app.add_directive('runblock', RunBlock) + app.connect('builder-inited', AutoRun.builder_init) + app.add_config_value('autorun_languages', AutoRun.config, 'env') diff --git a/doc/sphinxext/sphinx_autorun/pycon.py b/doc/sphinxext/sphinx_autorun/pycon.py new file mode 100644 index 00000000..c0edf861 --- /dev/null +++ b/doc/sphinxext/sphinx_autorun/pycon.py @@ -0,0 +1,31 @@ +import sys +from code import InteractiveInterpreter + + +def main(): + """ + Print lines of input along with output. + """ + source_lines = (line.rstrip() for line in sys.stdin) + console = InteractiveInterpreter() + source = '' + try: + while True: + source = next(source_lines) + # Allow the user to ignore specific lines of output. + if not source.endswith('# ignore'): + print('>>>', source) + more = console.runsource(source) + while more: + next_line = next(source_lines) + print('...', next_line) + source += '\n' + next_line + more = console.runsource(source) + except StopIteration: + if more: + print('... ') + more = console.runsource(source + '\n') + + +if __name__ == '__main__': + main() diff --git a/doc/sphinxext/sphinx_autorun/version.py b/doc/sphinxext/sphinx_autorun/version.py new file mode 100644 index 00000000..433d173a --- /dev/null +++ b/doc/sphinxext/sphinx_autorun/version.py @@ -0,0 +1,4 @@ +# coding: utf-8 +# file generated by setuptools_scm +# don't change, don't track in version control +version = '1.1.1' diff --git a/doc/sphinxext/triqs_example/triqs_example.py b/doc/sphinxext/triqs_example/triqs_example.py new file mode 100644 index 00000000..2c90ac4c --- /dev/null +++ b/doc/sphinxext/triqs_example/triqs_example.py @@ -0,0 +1,123 @@ +import tempfile +# -*- coding: utf-8 -*- +# seems to be executed at the level of the conf.py +# so we need to link the lib at that place... +""" +""" +import os +import codecs +from os import path +from subprocess import Popen,PIPE +from docutils import nodes +from docutils.parsers.rst import Directive +from docutils.parsers.rst import directives +from sphinx.errors import SphinxError + +class TriqsExampleError(SphinxError): + category = 'triqs_example error' + +class TriqsExampleRun: + #here = os.path.abspath(__file__) + #pycon = os.path.join(os.path.dirname(here),'pycon.py') + config = dict( + ) + @classmethod + def builder_init(cls,app): + #cls.config.update(app.builder.config.autorun_languages) + #cls.config.update(app.builder.config.autocompile_opts) + pass + +class TriqsExample(Directive): + has_content = True + required_arguments = 1 + optional_arguments = 0 + final_argument_whitespace = False + option_spec = { + 'linenos': directives.flag, + } + + def run(self): + document = self.state.document + filename = self.arguments[0] + if not document.settings.file_insertion_enabled: + return [document.reporter.warning('File insertion disabled', + line=self.lineno)] + env = document.settings.env + if filename.startswith('/') or filename.startswith(os.sep): + rel_fn = filename[1:] + else: + docdir = path.dirname(env.doc2path(env.docname, base=None)) + rel_fn = path.normpath(path.join(docdir, filename)) + try: + fn = path.join(env.srcdir, rel_fn) + except UnicodeDecodeError: + # the source directory is a bytestring with non-ASCII characters; + # let's try to encode the rel_fn in the file system encoding + rel_fn = rel_fn.encode(sys.getfilesystemencoding()) + fn = path.join(env.srcdir, rel_fn) + + encoding = self.options.get('encoding', env.config.source_encoding) + try: + f = codecs.open(fn, 'rU', encoding) + lines = f.readlines() + f.close() + except (IOError, OSError): + return [document.reporter.warning( + 'Include file %r not found or reading it failed' % filename, + line=self.lineno)] + except UnicodeError: + return [document.reporter.warning( + 'Encoding %r used for reading included file %r seems to ' + 'be wrong, try giving an :encoding: option' % + (encoding, filename))] + + config = TriqsExampleRun.config + + # Get configuration values for the language + input_encoding = 'utf8' #config.get(language+'_input_encoding','ascii') + output_encoding = 'utf8' #config.get(language+'_output_encoding','ascii') + show_source = True + + # Build the code text + code = ''.join(lines).strip() + filename_clean = filename.rsplit('.',1)[0] + if filename_clean.startswith('./') : filename_clean = filename_clean[2:] + #print "Running the example ....",filename_clean + #print "Root ?", env.doc2path(env.docname, base=None) + + import subprocess as S + error = True + try : + stdout ='' + #resout = S.check_output("./example_bin/doc_%s"%(filename_clean) ,stderr=S.STDOUT,shell=True) + resout = S.check_output("./%s/doc_%s"%(docdir,filename_clean) ,stderr=S.STDOUT,shell=True) + if resout : + stdout = '---------- Result is -------\n' + resout.strip() + error = False + except S.CalledProcessError as E : + stdout ='---------- RunTime error -------\n' + stdout += E.output + + # Process output + if stdout: + stdout = stdout.decode(output_encoding,'ignore') + out = ''.join(stdout).decode(output_encoding) + else: + out = '' #.join(stderr).decode(output_encoding) + + # Get the original code with prefixes + code_out = '\n'.join((code,out)) + + if error : # report on console + print(" Error in processing ") + print(code_out) + + literal = nodes.literal_block(code_out,code_out) + literal['language'] = 'c' + literal['linenos'] = 'linenos' in self.options + return [literal] + +def setup(app): + app.add_directive('triqs_example', TriqsExample) + app.connect('builder-inited',TriqsExampleRun.builder_init) + diff --git a/doc/themes/triqs/layout.html b/doc/themes/triqs/layout.html new file mode 100644 index 00000000..0275e11a --- /dev/null +++ b/doc/themes/triqs/layout.html @@ -0,0 +1,52 @@ +{# + layout.html + ~~~~~~~~~~~ + + TRIQS layout template heavily based on the sphinxdoc theme. + + :copyright: Copyright 2013 by the TRIQS team. + :copyright: Copyright 2007-2013 by the Sphinx team. + :license: BSD, see LICENSE for details. +#} +{%- extends "basic/layout.html" %} + +{# put the sidebar before the body #} +{% block sidebar1 %}{{ sidebar() }}{% endblock %} +{% block sidebar2 %}{% endblock %} + +{% block extrahead %} + + + + +{{ super() }} +{%- if not embedded %} + +{%- endif %} +{% endblock %} + +{% block rootrellink %} +

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