diff --git a/.dockerignore b/.dockerignore new file mode 100644 index 0000000000..2229b733da --- /dev/null +++ b/.dockerignore @@ -0,0 +1,2 @@ +.git/* +.github/* diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index da5ac7fb86..dc97804c72 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -10,7 +10,7 @@ jobs: pre-commit: runs-on: ubuntu-latest - timeout-minutes: 10 + timeout-minutes: 4 steps: - name: checkout code @@ -20,8 +20,40 @@ jobs: uses: actions/setup-python@v4 with: python-version: 3.8 + cache: 'pip' + + - name: install dependencies + run: | + python -m pip install --upgrade pip + + pip install fire jupytext pytest loguru - name: run pre-commit action uses: pre-commit/action@v3.0.0 with: extra_args: --all-files + + tests: + needs: pre-commit + runs-on: ubuntu-latest + timeout-minutes: 2 + + steps: + - name: checkout code + uses: actions/checkout@v3 + + - name: set up py3.8 + uses: actions/setup-python@v4 + with: + python-version: 3.8 + cache: 'pip' + + - name: install dependencies + run: | + python -m pip install --upgrade pip + + pip install fire jupytext pytest loguru + + - name: run tests + run: | + python -m pytest tests/ -vv diff --git a/.github/workflows/test-docker.yml b/.github/workflows/test-docker.yml new file mode 100644 index 0000000000..dc4aefd94b --- /dev/null +++ b/.github/workflows/test-docker.yml @@ -0,0 +1,36 @@ +# Test docker for dev and listner +name: test-docker + +on: + workflow_dispatch: + push: + branches: [ master ] + +jobs: + + deploy_book: + runs-on: ubuntu-latest + timeout-minutes: 60 + + steps: + - name: checkout branch for build + uses: actions/checkout@v2 + - name: set up docker + uses: actions/setup-docker@v1 + - name: build dev (qml-dev) docker + run: | + docker build . --tag qml-dev:latest --target dev + - name: test dev (qml-dev) docker + run: | + docker run -it qml-dev:latest /bin/bash + exit + - name: build listener (qmlcourse) docker + run: | + docker build . --tag qmlcourse:latest --target listener + docker run -it -p 8888:8888 qmlcourse:latest + - name: test listener (qmlcourse) docker + run: | + docker run -it -p 8888:8888 qmlcourse:latest + conda activate qmlcourse + jupyter --version + exit diff --git a/.github/workflows/test-installation.yml b/.github/workflows/test-installation.yml new file mode 100644 index 0000000000..16bc1b3425 --- /dev/null +++ b/.github/workflows/test-installation.yml @@ -0,0 +1,46 @@ +name: test-listener-os +# This repo testing instructions from lecture book/install/{ru/en}/intro.md + +on: + workflow_dispatch: + inputs: + os: + # TODO + description: 'Choose OS for test' + required: false + default: '"ubuntu-latest", "macos-latest", "windows-latest"' + +jobs: + + test-listener-all: + name: Listener miniconda (${{ matrix.python-version }}, ${{ matrix.os }}) + runs-on: ${{ matrix.os }} + strategy: + fail-fast: false + matrix: + os: ["ubuntu-latest", "macos-latest"] + python-version: ["3.8", "3.9"] + + steps: + - uses: conda-incubator/setup-miniconda@v2 + with: + auto-update-conda: true + python-version: ${{ matrix.python-version }} + + - name: conda create and activate env + shell: bash -l {0} + run: | + conda create -n qmlcourse python=3.8 --yes + conda activate qmlcourse + + - name: install psi-4 Non-Windows + shell: bash -l {0} + run: conda run -n qmlcourse conda install psi4 python=3.8 -c psi4 --yes + + - name: install all other packages + run: | + conda run -n qmlcourse python -m pip install -r requirements.txt + conda run -n qmlcourse conda install -c conda-forge jupyterlab --yes + + - name: test jupyter + run: conda run -n qmlcourse jupyter --version diff --git a/.gitignore b/.gitignore index 26121d53b0..a18e166961 100644 --- a/.gitignore +++ b/.gitignore @@ -511,6 +511,11 @@ _minted* # Jupyter Book _build* -# VSCode settings dir +# VSode settings dir .vscode -_tmp_notebooks + +# Notebooks dir +notebooks/ + +# some tests data +tests/data/lecture.ipynb diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 0000000000..2164197ca1 --- /dev/null +++ b/Dockerfile @@ -0,0 +1,56 @@ +#### +# Purpose of this stage is to get all packages from lectures and jupyter lab to interact with lectures. +#### + +FROM continuumio/miniconda3:latest as listener +WORKDIR qmlcourse +COPY . . +RUN conda create -n qmlcourse python=3.8 --yes +RUN conda run -n qmlcourse conda install psi4 python=3.8 -c psi4 --yes +RUN conda run -n qmlcourse python -m pip install -r requirements/requirements-listener.txt +RUN conda run -n qmlcourse conda install -c conda-forge jupyterlab --yes + +# Configure environment +ENV CONDA_DIR=/opt/conda \ + SHELL=/bin/bash +ENV PATH="${SHELL}:${PATH}" +ENV PATH="${CONDA_DIR}/bin:${PATH}" +EXPOSE 8888 +ENTRYPOINT ["bash"] + +# Starting jupyter lab in interactive docker shell: +# docker run -it -p 8888:8888 qmlcourse:latest +# conda activate qmlcourse +# jupyter lab --ip='0.0.0.0' --port=8888 --no-browser --allow-root + +#### +# Purpose of the builder is to make all lectures, convert them into ipython notebooks (.ipynb). This operation is time costly and take a lot of space on the drive. +# After that we could use lightweight environment +#### + +ARG GIT-BRANCH=master +FROM ubuntu:20.04 as dev +ENV DEBIAN_FRONTEND=noninteractive +ENV TZ=Europe/London +RUN ln -snf /usr/share/zoneinfo/$TZ /etc/localtime && echo $TZ > /etc/timezone +RUN apt update && apt install -y build-essential git wget tzdata +RUN apt update && apt install -y python3-pip +RUN python3 -m pip install poetry +RUN apt update && apt install -y + +# Needed if we pull from dockerhub without local repo. +# RUN git clone https://github.com/quantum-ods/qmlcourse.git + +WORKDIR qmlcourse +COPY . . +# RUN git checkout ${GIT-BRANCH} +RUN poetry install --no-interaction --no-root +RUN apt update && apt install -y texlive-latex-extra texlive-fonts-extra texlive-xetex latexmk +RUN poetry run python tools/convert.py md_to_ipynb +RUN poetry run jupyter-book toc migrate ./qmlcourse/_toc.yml -o ./qmlcourse/_toc.yml +RUN poetry run jupyter-book build ./qmlcourse --keep-going +# Get latex file +RUN poetry run jupyter-book build ./qmlcourse --builder latex --keep-going +# TODO: Building pdf +# xelatex -interaction nonstopmode qmlcourse.tex +ENTRYPOINT ["/bin/bash"] diff --git a/Makefile b/Makefile index 570d9f67c4..43b728c46c 100644 --- a/Makefile +++ b/Makefile @@ -13,8 +13,6 @@ install-python-poetry-ubuntu: sudo apt install python3-distutils -y curl -sSL https://raw.githubusercontent.com/python-poetry/poetry/master/get-poetry.py | python3 -# curl "http://vergil.chemistry.gatech.edu/psicode-download/Psi4conda-1.4rc3-py38-Linux-x86_64.sh" -o Psi4conda-1.4rc3-py38.sh --keepalive-time 2 - install-python-poetry-macos: brew update brew install zlib pyenv poetry @@ -22,13 +20,10 @@ install-python-poetry-macos: pyenv install 3.8.10 pyenv local 3.8.10 -# curl "http://vergil.chemistry.gatech.edu/psicode-download/Psi4conda-1.4rc3-py38-MacOSX-x86_64.sh" -o Psi4conda-1.4rc3-py38.sh --keepalive-time 2 - install-python-dependencies: # poetry env use python3.8 poetry env list poetry install --no-interaction --no-root build-linux-macos: -# cd $(HOME)/psi4conda/etc/profile.d/ && source conda.sh && conda activate && cd - && poetry run psi4 --test poetry run jupyter-book build ./qmlcourse diff --git a/pyproject.toml b/pyproject.toml index c26c0839e2..06b11f15e1 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -32,6 +32,10 @@ tensorflow-quantum = "0.6.0" Jinja2 = "3.0.3" # [tool.poetry.dev-dependencies] +jupytext = "^1.13.8" +fire = "^0.4.0" +loguru = "^0.6.0" +pre-commit = "^2.20.0" [build-system] diff --git a/qmlcourse/_toc.yml b/qmlcourse/_toc.yml index 2232f0845e..4ad89eb601 100644 --- a/qmlcourse/_toc.yml +++ b/qmlcourse/_toc.yml @@ -226,6 +226,15 @@ - file: book/intro/en/prerequisite.md title: ⬜ Prerequisite +- part: Installation + chapters: + - file: book/install/en/intro.md + title: 🟩 Basic installation + - file: book/install/en/docker.md + title: 🟩 Working with docker + - file: book/install/en/advanced.md + title: 🟧 Optimization environment for production or GPU use + - part: Linear Algebra and Numpy chapters: - file: book/linalg/en/linalg_intro.md diff --git a/qmlcourse/book/install/en/advanced.md b/qmlcourse/book/install/en/advanced.md new file mode 100644 index 0000000000..e3a8000c40 --- /dev/null +++ b/qmlcourse/book/install/en/advanced.md @@ -0,0 +1,53 @@ +# Advanced install of packages + +**NOTE** + +You could also install all packages from Intel optimized repositories, but for now, we don't test this approach. This could make sense in four cases: + +- if you are using a very old Intel/AMD processor (that does not have AVX2 instructions, for example). Then with high probability, you'll need to compile some packages by yourself. Intel® Distribution for Python contains many compilers and tools to help you with this non-trivial task. +- if you are using an extra modern Intel CPU with AVX-512 or new AMX instructions. Or your CPU has more than eight cores. +- if you are using cluster and don't want to install OpenMP and other libraries manually. + In the mean case scenario with 8 cores CPU, you probably get about a 10% increase in the speed of calculations that, in my opinion, do not cost additional efforts and space on your SSD/HDD. Some users review that this actually works with an AMD processor, so if you have an AMD CPU you could message @avpronkin in ODS.ai Slack about a successful installation or ask for help. + +### Intel® Distribution for Python + +First of all, update your conda: + +```shell +conda update conda +``` + +Secondly, add the Intel channel for packages: + +```shell +conda config --add channels intel +``` + +Finally, create intel based python environment and activate it: + +```shell +conda create -n qmlcourse intelpython3_core python=3.8 --yes +conda activate qmlcourse +``` + +After you could activate your environment and continue to install all other packages, conda automatically search all repositories with the preference of the intel repo. + +If you stack with problems, you could remove the Intel channel + +```shell +conda config --remove channels intel +``` + +And remove `qmlcourse` environment: +**WARNING** +_This cannot be undone, so you remove all packages that you install in `qmlcourse` environment_ + +```shell +conda deactivate +conda env remove -n qmlcourse +``` + +## GPU + +Before installation the main packages, you could install the GPU version of TensorFlow/JAX. +See instructions here [_tensorflow-gpu_](https://www.tensorflow.org/install/gpu), [_JAX GPU_](https://github.com/google/jax#pip-installation-gpu-cuda). diff --git a/qmlcourse/book/install/en/docker.md b/qmlcourse/book/install/en/docker.md new file mode 100644 index 0000000000..d67d673067 --- /dev/null +++ b/qmlcourse/book/install/en/docker.md @@ -0,0 +1,124 @@ +# Docker + +For installing a docker environment on your operating system, please read [_this official guide_](https://docs.docker.com/get-docker/). After the installation, if you are on a Linux system, please do the post-installation steps: [_Linux post-installation steps_](https://docs.docker.com/engine/install/linux-postinstall/). After that, you probably should restart your OS. You could test your installation with the following command: + +```shell +docker version +docker run hello-world +``` + +You need to see docker version and then short instructions and links to the documentation. If you see that command docker is not find, then you need to add docker to PATH, and if you see permitions issues, than you didn't do post-instalaltion steps and didn't reboot your system, see the documentation on the docker website. + +## Listener + +Build listener container: + +``` +docker build . --tag qmlcourse:latest --target listener +``` + +Run docker in interactive regime with port forwarding: + +```shell +docker run -it -p 8888:8888 qmlcourse:latest +``` + +### Starting jupyter + +In docker bash: + +```bash +conda activate qmlcourse +jupyter notebook --ip='0.0.0.0' --port=8888 --no-browser --allow-root +``` + +### Starting Jupyter Lab + +Run docker in interactive regime with port forwarding: + +```shell +docker run -it -p 8888:8888 qmlcourse:latest +``` + +In docker bash: + +```bash +conda activate qmlcourse +jupyter lab --ip='0.0.0.0' --port=8888 --no-browser --allow-root +``` + +## Contributor + +Firstly, you need to git clone repository and build docker image from qmlcourse folder with Dockerfile: + +``` +git clone --recursive https://github.com/SemyonSinchenko/qmlcourse.git +cd qmlcourse +docker build . --tag qml-dev:latest --target dev +``` + +after that you can see new docker image with + +```shell +docker images +``` + +you could run interactive shell of docker image with: + +```shell +docker run -it qml-dev:latest /bin/bash +``` + +in interactive shell you could: + +- build new ipynb +- build new latex +- build new pdf from latex + +### Build ipynb lecture notebooks + +and you could use jupyter to write lectures, and then convert them into .md files with jupyter text: + +```shell +pip install jupytext +``` + +```shell +python -m jupytext lecture.md --to ipynb +``` + +or use our script that creates notebook folder and get all lectures into it. + +```shell +python tools/convert.py md_to_ipynb +``` + +Or copy from docker folder to your machine folder all notebooks: + +```shell +docker cp qml-dev: notebooks ./notebooks/ +``` + +### Build book + +build the entire book into folder with following command: + +```shell +poetry run jupyter-book toc migrate ./qmlcourse/_toc.yml -o ./qmlcourse/_toc.yml +poetry run jupyter-book build ./qmlcourse --keep-going +``` + +### Build latex and pdf + +Firstly, you need to build latex from md files with + +```shell +poetry run jupyter-book toc migrate ./qmlcourse/_toc.yml -o ./qmlcourse/_toc.yml +poetry run jupyter-book build ./qmlcourse --builder latex --keep-going +``` + +Then change directory to `qmlcourse/\_build/latex` and use xelatex: + +```shell +xelatex -interaction nonstopmode qmlcourse.tex +``` diff --git a/qmlcourse/book/install/en/intro-windows.md b/qmlcourse/book/install/en/intro-windows.md new file mode 100644 index 0000000000..6d601f01eb --- /dev/null +++ b/qmlcourse/book/install/en/intro-windows.md @@ -0,0 +1,120 @@ +# Windows + +Main problems with windows - you need to install additional packages like compilator or git. + +- Firstly, install (git with git bash)[https://git-scm.com/download/win]: +- Secondly, install (miniconda)[https://docs.conda.io/en/latest/miniconda.html] in path that do not contains cyrillic symbols. + +You could choose between 3 compilators on windows: +- MinGW (git for windows already has it) +- Intel C++ +- Visual Code C++ +### MinGW +First of all open git cmd shell. In this shell promt + +```cmd +conda update conda +``` + +After that we create qmlcourse environment. + +```cmd +conda create -n qmlcourse python=3.8 --yes +``` +and activate it (we need to activate env after each reopen cmd shell): + +```cmd +conda activate qmlcourse +``` +install psi4 +```cmd +conda install psi4 python=3.8 -c psi4 -c conda-forge --yes +``` +For NetKet we need to install cmake +```cmd +conda install cmake --yes +``` +and export flags to C++ and G++ compilators: + +```cmd +cmake -DCMAKE_CXX_COMPILER= -DCMAKE_C_COMPILER=/pathto/gcc +``` + +tensorflow (cpu or gpu). For CPU version: + +```shell +conda install tensorflow +``` + +Or for gpu version: + +```shell +conda install tensorflow-gpu +``` + +After that if you have intel cpu, you could use intel C++ compiler. If not you could alse use intel compiler, however, there is no any gurantiess that this will work (if did't work go to VC tools). + +## Intel compiler + +First of all, update your conda: + +```shell +conda update conda +``` + +Secondly, add the Intel channel for packages: + +```shell +conda config --add channels intel +``` + +Finally, create intel based python environment and activate it: + +```shell +conda create -n qmlcourse intelpython3_core python=3.8 --yes +conda activate qmlcourse +``` + +Now you could install psi4 +```shell +conda install psi4 python=3.8 -c psi4 -c conda-forge +``` +tensorflow (cpu or gpu). For CPU version: + +```shell +conda install tensorflow +``` + +Or for gpu version: + +```shell +conda install tensorflow-gpu +``` + +For netket is nessesary to install cmake and export C++ compiling parts. + +#### MinGW + + +VC C++ + + [Microsoft Build Tools](https://aka.ms/vs/17/release/vs_BuildTools.exe) и + +```shell +conda install -c conda-forge netket +``` + +and all other packages: + +```shell +conda install -c conda-forge netket +``` + +## VC tools + +# Known Issues + +For windows you need to compile tensorflow with [tensorflow quantum from sources](https://www.tensorflow.org/quantum/install). For netket you could download visual code build C++ tools and activate properly cmake + + + Or just use the docker. diff --git a/qmlcourse/book/install/en/intro.md b/qmlcourse/book/install/en/intro.md new file mode 100644 index 0000000000..6069f801e2 --- /dev/null +++ b/qmlcourse/book/install/en/intro.md @@ -0,0 +1,101 @@ +# Installation + +There are several ways to install this course: with your system installed poetry/anaconda3/miniconda3 or with docker. If you don't need to contribute or change the course, you could follow only listener instructions. The contributor environment additionally contains pre-commit hooks and the jupyter book libraries. Additionally, you could install GPU versions of the packages and use your modern Nvidia GPUs. + +## Before we start + +Clone this repository using git or manually download using GitHub web version and open folder qmlcourse: + +```shell +git clone https://github.com/SemyonSinchenko/qmlcourse.git +cd qmlcourse +``` + +## Poetry + +If you are using linux or macos, you could use poetry with all developer packages: + +```bash +pip install poetry +poetry install --no-interaction --no-root +``` + +## Conda + +First of all, install miniconda for your operating system https://docs.conda.io/en/latest/miniconda.html +Then you have to create an empty environment for the course, let's name it `qmlcourse`. For this course, we use some features of python 3.8, so you need at this version of python. + +**If you are Windows user go to [docker](docker.md) lecture or (hard way) [windows](intro-windows.md) lecture. +```shell +conda create -n qmlcourse python=3.8 --yes +``` + +after that, you need to activate this env by the following command (do this also after restart of the command line) + +```shell +conda activate qmlcourse +``` + +and install listener packages. On Linux and OSX you could install a stable version of psi4: + +```shell +conda install psi4 python=3.8 -c psi4 --yes +``` + +**Note** : If you don't want to activate env, you could use all following command with `conda run -n qmlcourse`, e.g.: + +```shell +conda run -n qmlcourse conda install psi4 python=3.8 -c psi4 --yes +``` + +Then install all other packages: + +```shell +python -m pip install -r requirements.txt +conda install -c conda-forge jupyterlab --yes +``` + +after that you could download lectures in jupyter notebooks from and start jupyter lab: + +```shell +jupyter lab +``` + +### Check the installation + +The following command prints your path to the `alias python` in the activated environment: + +```shell +python -c "import sys; print(sys.executable)" +``` + +The printed path should look like `/home/user/miniconda3/envs/qmlcourse/python` on Unix system and `C:\Users\USER\miniconda3\envs\qmlcourse\python.exe` on Windows. + +### Working with course + +I recommend you always use an explicit command like `python -m some_module` and work only inside the virtual environment. For example: + +```shell +conda activate qmlcourse.ai +python - m pip install pandas +python - m jupyter notebook +``` + +In other cases (python3, py3, pip3, poetry run, etc.), you need to know what you do, where you do, and why you do that. +You could always use aliases and macros for shortcuts like + +```bash +alias qml='conda activate qmlcourse && python -m jupyter notebook' +``` + +or for Windows: + +```bat +doskey qml=conda activate qmlcourse $T python -m jupyter notebook +``` + +And then printing `qml` in your terminal gives you the proper jupyter notebook kernel (do not forget to back up your ".dotfiles" somewhere. You could search on the Internet which files you need to back up to save all your aliases). + +```shell +qml +``` diff --git a/qmlcourse/book/install/en/trobleshooting.md b/qmlcourse/book/install/en/trobleshooting.md new file mode 100644 index 0000000000..3f78be732d --- /dev/null +++ b/qmlcourse/book/install/en/trobleshooting.md @@ -0,0 +1,23 @@ +#### Troubleshooting + +##### Known problems + +[_Jupyter book does not work with python 3.8+ on Windows_](https://github.com/jupyter/nbclient/issues/85). So, please use docker/WSL2 for the contributing instead. + +If packages conflict, then update conda: + +```shell +conda deactivate +conda update conda +``` + +And remove `qmlcourse` environment: +**WARNING** +_This cannot be undone, so you remove all packages that you install in `qmlcourse` environment_ + +```shell +conda deactivate +conda env remove -n qmlcourse.ai +``` + +Then try install packages by hands without "==" versions. diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000000..5261397bb1 --- /dev/null +++ b/requirements.txt @@ -0,0 +1,2250 @@ +absl-py==1.1.0; python_version >= "3.7" \ + --hash=sha256:3aa39f898329c2156ff525dfa69ce709e42d77aab18bf4917719d6f260aa6a08 \ + --hash=sha256:db97287655e30336938f8058d2c81ed2be6af1d9b6ebbcd8df1080a6c7fcd24e +alabaster==0.7.12; python_version >= "3.7" \ + --hash=sha256:446438bdcca0e05bd45ea2de1668c1d9b032e1a9154c2c259092d77031ddd359 \ + 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--hash=sha256:d52a25136894c63de15a35bc0bdc5adb4b0e173b9c0d07a2be9d3ca64a332735 \ + --hash=sha256:40e7bc81c9e2b2734ea4bc1aceb8a8f0ceaac7c5299bc5d69e37c44d9081d43b \ + --hash=sha256:b9b7a708dd92306328117d8c4b62e2194d00c365f18eff11a9b53c6f923b01e3 \ + --hash=sha256:6a9a25751acb379b466ff6be78a315e2b439d4c94c1e99cb7266d40a537995d3 \ + --hash=sha256:34aa51c45f28ba7f12accd624225e2b1e5a3a45206aa191f6f9aac931d9d56fe \ + --hash=sha256:dee0ce50c6a2dd9056c20db781e9c1cfd33e77d2d569f5d1d9321c641bb903d5 \ + --hash=sha256:dee60e1de1898bde3b238f18340eec6148986da0455d8ba7848d50470a7a32fb \ + --hash=sha256:380a85cf89e0e69b7cfbe2ea9f765f004ff419f34194018a6827ac0e3edfed4d +yfinance==0.1.70; python_version >= "3.6" \ + --hash=sha256:949d527544a88c09602753050d2e1fb08f7896f79198cd71b891af5e3cc49249 \ + --hash=sha256:a42190dd3b3fce1b00aec273db36392b8f100cc8c73dc7881bb558117cbf7c69 +zipp==3.8.0; python_full_version >= "3.6.1" and python_full_version < "4.0.0" and python_version >= "3.7" and python_version < "3.9" \ + --hash=sha256:c4f6e5bbf48e74f7a38e7cc5b0480ff42b0ae5178957d564d18932525d5cf099 \ + --hash=sha256:56bf8aadb83c24db6c4b577e13de374ccfb67da2078beba1d037c17980bf43ad diff --git a/requirements/requirements-dev.txt b/requirements/requirements-dev.txt new file mode 100644 index 0000000000..c38292341f --- /dev/null +++ b/requirements/requirements-dev.txt @@ -0,0 +1,26 @@ +Jinja2==3.0.3 +PennyLane==0.20.0 +cirq==0.11.0 +dwave-system==1.10.0 +dwavebinarycsp==0.1.3 +fire==0.4.0 +jupyter-book==0.13 +jupytext==1.13.8 +loguru==0.6.0 +matplotlib==3.3.4 +netket==3.2 +networkx==2.6.3 +numpy==1.19.2 +paramiko==2.10.1 +penaltymodel-maxgap==0.5.5 +pylatexenc==2.10 +pyppeteer==0.2.6 +pyyaml==5.4.1 +qiskit==0.31.0 +scikit-learn==0.24.1 +scp==0.14.1 +sphinx-jupyterbook-latex==0.4.6 +sphinx-sitemap==2.2.0 +sympy==1.8 +tensorflow-quantum==0.6.0 +tensorflow==2.7.2 diff --git a/requirements/requirements-listener.txt b/requirements/requirements-listener.txt new file mode 100644 index 0000000000..1fd7bd87d5 --- /dev/null +++ b/requirements/requirements-listener.txt @@ -0,0 +1,15 @@ +PennyLane==0.20.0 +cirq==0.11.0 +dwave-system==1.10.0 +dwavebinarycsp==0.1.3 +jupytext==1.13.8 +matplotlib==3.3.4 +netket==3.2 +networkx==2.6.3 +numpy==1.19.2 +penaltymodel-maxgap==0.5.5 +qiskit==0.31.0 +scikit-learn==0.24.1 +sympy==1.8 +tensorflow-quantum==0.6.0 +tensorflow==2.7.2 diff --git a/tests/__init__.py b/tests/__init__.py new file mode 100644 index 0000000000..e69de29bb2 diff --git a/tests/conftest.py b/tests/conftest.py new file mode 100644 index 0000000000..f50f72e745 --- /dev/null +++ b/tests/conftest.py @@ -0,0 +1,8 @@ +import pytest + + +@pytest.fixture() +def get_ipynb_file() -> (str): + ipynb_file = '{\n "cells": [\n {\n "cell_type": "markdown",\n "id": "9c9effa9",\n "metadata": {},\n "source": [\n "(test_lec)=\\n",\n "\\n",\n "# Test\\n",\n "\\n",\n "Some test text\\n",\n "\\n",\n "$$\\n",\n "E = mc^2\\n",\n "$$"\n ]\n },\n {\n "cell_type": "code",\n "execution_count": null,\n "id": "ca3a3229",\n "metadata": {},\n "outputs": [],\n "source": [\n "a = 2\\n",\n "b = 2\\n",\n "\\n",\n "a + b"\n ]\n },\n {\n "cell_type": "markdown",\n "id": "c4b7952a",\n "metadata": {},\n "source": [\n "Some test text"\n ]\n }\n ],\n "metadata": {\n "kernelspec": {\n "display_name": "Python 3",\n "language": "python",\n "name": "python3"\n }\n },\n "nbformat": 4,\n "nbformat_minor": 5\n}\n' # noqa: FS003 + + return ipynb_file diff --git a/tests/convert_test.py b/tests/convert_test.py new file mode 100644 index 0000000000..40fbfd3638 --- /dev/null +++ b/tests/convert_test.py @@ -0,0 +1,24 @@ +from pathlib import Path + +from loguru import logger + +from tools.convert import md_to_ipynb + + +# todo: add tests for exception +def test_md_to_ipynb(get_ipynb_file: str) -> (None): + + path_2_converted_lecture_to_ipynb = Path("./tests/data/lecture.ipynb") + + try: + md_to_ipynb(dir_2_toc="./tests/data", dir_2_ipynb="./tests", testing=True) + + with open(path_2_converted_lecture_to_ipynb, "r") as test_ipynb_file: + converted_lecture_to_ipynb = test_ipynb_file.read() + + assert len(get_ipynb_file) == len(converted_lecture_to_ipynb) + + except FileNotFoundError: + logger.error("file not found") + # finally: + # path_2_converted_lecture_to_ipynb.unlink() # pyright: ignore reportUnboundVariable diff --git a/tests/data/_toc.yml b/tests/data/_toc.yml new file mode 100644 index 0000000000..0d4f927a2e --- /dev/null +++ b/tests/data/_toc.yml @@ -0,0 +1,8 @@ +- file: book/index.md + +# :ru: + +- part: Test + chapters: + - file: lecture.md + title: 🟦 Just test diff --git a/tests/data/lecture.md b/tests/data/lecture.md new file mode 100644 index 0000000000..22f4ea60d9 --- /dev/null +++ b/tests/data/lecture.md @@ -0,0 +1,30 @@ +--- +jupytext: + formats: md:myst + text_representation: + extension: .md + format_name: myst +kernelspec: + display_name: Python 3 + language: python + name: python3 +--- + +(test_lec)= + +# Test + +Some test text + +$$ +E = mc^2 +$$ + +```{code-cell} ipython3 +a = 2 +b = 2 + +a + b +``` + +Some test text diff --git a/tools/__init__.py b/tools/__init__.py new file mode 100644 index 0000000000..e69de29bb2 diff --git a/tools/convert.py b/tools/convert.py new file mode 100644 index 0000000000..0161e694a9 --- /dev/null +++ b/tools/convert.py @@ -0,0 +1,55 @@ +from pathlib import Path +from subprocess import call +from typing import Dict +from typing import List + +import fire +import yaml # type: ignore +from loguru import logger + +# fire guide: https://github.com/google/python-fire/blob/master/docs/guide.md + + +# todo: add toml2requirements.py like seperate module + + +def md_to_ipynb(dir_2_toc: str = "./qmlcourse", dir_2_ipynb: str = "./notebooks", testing: bool = False) -> (None): + """ + Convert MyST files from toc to ipython notebooks. + toc: YAML list of the dicts with table of contents for jupyter book. + """ + + path_2_toc = Path(dir_2_toc) + path_2_ipynb = Path(dir_2_ipynb) + + # open table of contents + with open(f"{path_2_toc}/_toc.yml", "r", encoding="utf-8") as toc_file: + toc: List[Dict[str, List[Dict[str, str]]]] = yaml.safe_load(toc_file) + + for part in toc[1:]: + for chapter in part["chapters"]: + file_path = path_2_toc / Path(chapter["file"]) + logger.info(f"convert {file_path}") + + call(["poetry", "run", "jupytext", file_path.absolute(), "--to", "ipynb"]) + + Path.mkdir( + path_2_ipynb / "/".join(chapter["file"].split("/")[1:-1]), + parents=True, + exist_ok=True, + ) + + try: + if not testing: + Path.replace( + path_2_toc / Path(chapter["file"].split(".")[0] + ".ipynb"), + path_2_ipynb / Path("/".join(chapter["file"].split(".")[0].split("/")[1:]) + ".ipynb"), + ) + except FileNotFoundError: + logger.error("Problem with", Path(chapter["file"])) + + +if __name__ == "__main__": + + # python tools/convert.py md_to_ipynb + fire.Fire() diff --git a/tools/generate_requirements.py b/tools/generate_requirements.py new file mode 100644 index 0000000000..d3f4b4df63 --- /dev/null +++ b/tools/generate_requirements.py @@ -0,0 +1,68 @@ +from pathlib import Path +from typing import List +from typing import Set + + +prohibited_packages_listner = set( + [ + "python", + "pre-commit", + "jupyter-book", + "pyyaml", + "pylatexenc", + "pyppeteer", + "sphinx-jupyterbook-latex", + "sphinx-sitemap", + "paramiko", + "scp", + "Jinja2", + "fire", + "loguru", + "", + ], +) +prohibited_packages_dev = set(["python", ""]) + + +def get_packages(prohibited_packages: Set[str]) -> (List[str]): + """ + Remove prohibited packages and creates text for requirements.txt + prohibited_packages: set of prohibited packages + """ + packages = [] + packages_flag = False + with open("pyproject.toml", "r") as toml_file: + for line in toml_file: + line = line.strip() + if line in ["[tool.poetry.dependencies]", "# [tool.poetry.dev-dependencies]"]: + packages_flag = True + continue + elif line in ["[build-system]"]: + packages_flag = False + elif line == "": + continue + if packages_flag: + package, version = line.split(" = ") + package = package.strip() + version = version.strip()[1:-1] # remove brakets \"^version\" + if package not in prohibited_packages: + if version.startswith("^"): + if len(version.split(".")) == 3: + packages.append( + package + "==" + version[1:], # remove ^ + ) + else: + packages.append(package + "==" + version[1:]) # remove ^ + else: + packages.append(package + "==" + version) + return sorted(packages) + + +if __name__ == "__main__": + with open(Path("requirements/requirements-listener.txt"), "w") as req_file: + req_file.writelines("\n".join(get_packages(prohibited_packages=prohibited_packages_listner))) + req_file.writelines("\n") + + with open(Path("requirements/requirements-dev.txt"), "w") as req_file: + req_file.writelines("\n".join(get_packages(prohibited_packages=prohibited_packages_dev))) + req_file.writelines("\n")