diff --git a/README.rst b/README.rst index ade396c6c..71f7e196f 100644 --- a/README.rst +++ b/README.rst @@ -1,8 +1,8 @@ -.. raw:: html +|tangelo_logo| - tangelo_logo - -| +.. |tangelo_logo| image:: ./docs/source/_static/img/tangelo_logo_gradient.png + :width: 600 + :alt: tangelo_logo |maintainer| |licence| |systems| |dev_branch| @@ -36,18 +36,20 @@ help. This package provides a growing collection of algorithms and toolboxes, including problem decomposition, to support the development of and the design of successful experiments on quantum devices. Tangelo is backend-agnostic, so that users can write code once and experiment with current and future platforms with minimal changes. -.. raw:: html - - curve - Tangelo was used to perform quantum experiments that led to `peer-reviewed work `_ published in scientific journals, co-authored by professionals from the chemical industry and quantum hardware manufacturers. +|curve| + +.. |curve| image:: ./docs/source/_static/img/curve_dmet_qcc.png + :width: 400 + :alt: curve + We hope to grow a healthy community around Tangelo, collaborate, and together leverage the best of what the field has to offer. - Our paper on arXiv (link updated as soon as available) -- `Sphinx documentation `_. +- Our `Sphinx documentation `_. What will you do with Tangelo ? @@ -60,27 +62,15 @@ This package requires a Python 3 environment. We recommend: * installing the "dev" version of Python3 if you encounter missing header errors, such as ``python.h file not found``. * having good C/C++ compilers and BLAS libraries to ensure good overall performance of computation-intensive code. -Quick note for Windows users -^^^^^^^^^^^^^^^^^^^^^^^^^^^^ - -Our installation instructions will work on Linux and MacOS systems. If you are using Windows, we recommend -you install the `Windows Linux Subsystem `_, which allows you -to run Ubuntu as an application. Once it has been installed, you can type ``explorer.exe`` in your Ubuntu terminal to -drag and drop files between your Windows and Linux environment. +Using pip +^^^^^^^^^ -Here are a few essentials to install inside a brand new Ubuntu environment, before trying to install Tangelo: +The easiest way to install Tangelo in your environment. We recommend upgrading pip first: .. code-block:: - sudo apt update && sudo apt upgrade - sudo apt-get install python3-dev - sudo apt-get install python3-venv - sudo apt-get install cmake unzip - -Using pip -^^^^^^^^^ - -TODO: once this package is available on pypi, give the command. + python -m pip install -–upgrade pip. + pip install tangelo-gc From source, using setuptools ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -99,7 +89,7 @@ separately with ``pip``\ , before trying again. Optional dependencies ^^^^^^^^^^^^^^^^^^^^^ -Tangelo enables users to target various backends. In particular, it integrates quantum circuit simulators such as +Tangelo enables users to target various backends. In particular, it integrates quantum circuit simulators such as ``qulacs``\ , ``qiskit``\ , ``cirq`` or ``qdk``. We leave it to you to install the packages of your choice. Most packages can be installed through pip in a straightforward way: @@ -110,9 +100,28 @@ Most packages can be installed through pip in a straightforward way: pip install cirq ... -Depending on your OS and environment, some of these packages may be more challenging to install. For installing Microsoft's QDK +Depending on your OS and environment, some of these packages may be more challenging to install. For installing Microsoft's QDK or any issue regarding the above packages, please check their respective documentation. + +Quick note for Windows users +^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Our installation instructions will work on Linux and MacOS systems. If you are using Windows, we recommend +you install the `Windows Linux Subsystem `_, which allows you +to run Ubuntu as an application. Once it has been installed, you can type ``explorer.exe`` in your Ubuntu terminal to +drag and drop files between your Windows and Linux environment. + +Here are a few essentials to install inside a brand new Ubuntu environment, before trying to install Tangelo: + +.. code-block:: + + sudo apt update && sudo apt upgrade + sudo apt-get install python3-dev + sudo apt-get install python3-venv + sudo apt-get install cmake unzip + + Optional: environment variables ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -171,4 +180,4 @@ If you use Tangelo in your research, please cite: [TODO: Placeholder Tangelo for arXiv paper] -© Good Chemistry Company 2021. This software is released under the Apache Software License version 2.0. +© Good Chemistry Company 2022. This software is released under the Apache Software License version 2.0. diff --git a/docs/source/_static/img/tangelo_logo_white.png b/docs/source/_static/img/tangelo_logo_white.png new file mode 100644 index 000000000..c9fd63951 Binary files /dev/null and b/docs/source/_static/img/tangelo_logo_white.png differ diff --git a/docs/source/conf.py b/docs/source/conf.py index 810935456..2d4d6fc13 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -58,6 +58,6 @@ # so a file named "default.css" will overwrite the builtin "default.css". html_static_path = ['_static'] html_css_files = ['css/custom.css'] # works (path relative to html_static_path) -html_logo = './_static/img/tangelo_name_white.png' # works (path relative to conf.py) +html_logo = './_static/img/tangelo_logo_white.png' # works (path relative to conf.py) autodoc_mock_imports = ['qemist-client', 'PIL', 'Pillow', 'qsharp'] diff --git a/docs/source/docs/source/_static/img/curve_dmet_qcc.png b/docs/source/docs/source/_static/img/curve_dmet_qcc.png new file mode 120000 index 000000000..be2797194 --- /dev/null +++ b/docs/source/docs/source/_static/img/curve_dmet_qcc.png @@ -0,0 +1 @@ +../../../../_static/img/curve_dmet_qcc.png \ No newline at end of file diff --git a/docs/source/docs/source/_static/img/quantum_workflow.png b/docs/source/docs/source/_static/img/quantum_workflow.png new file mode 120000 index 000000000..497d595dc --- /dev/null +++ b/docs/source/docs/source/_static/img/quantum_workflow.png @@ -0,0 +1 @@ +../../../../_static/img/quantum_workflow.png \ No newline at end of file diff --git a/docs/source/docs/source/_static/img/tangelo_logo_gradient.png b/docs/source/docs/source/_static/img/tangelo_logo_gradient.png new file mode 120000 index 000000000..f5e7a4e66 --- /dev/null +++ b/docs/source/docs/source/_static/img/tangelo_logo_gradient.png @@ -0,0 +1 @@ +../../../../_static/img/tangelo_logo_gradient.png \ No newline at end of file diff --git a/docs/source/index.rst b/docs/source/index.rst index 79c6ad37a..7d1426478 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -3,14 +3,14 @@ You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. -Welcome to tangelo's documentation! -================================ +Welcome to Tangelo's documentation! +=================================== .. toctree:: :maxdepth: 2 :caption: Contents: - README + overview tangelo Indices and tables diff --git a/docs/source/overview.rst b/docs/source/overview.rst new file mode 100644 index 000000000..c19b25a00 --- /dev/null +++ b/docs/source/overview.rst @@ -0,0 +1,4 @@ +Overview +======== + +.. include:: README.rst diff --git a/setup.py b/setup.py index d5ef02243..788395212 100755 --- a/setup.py +++ b/setup.py @@ -6,9 +6,7 @@ def install(package): subprocess.check_call([sys.executable, "-m", "pip", "install", package]) - -with open("tangelo/_version.py") as f: - version = f.readlines()[-1].split()[-1].strip("\"'") +version = '0.3.0' with open('README.rst', 'r') as f: long_description = f.read() @@ -17,14 +15,15 @@ def install(package): install('pyscf') install('git+https://github.com/pyscf/semiempirical') +description = "Maintained by Good Chemistry Company, focusing on the development of end-to-end materials simulation workflows on quantum computers." + setuptools.setup( - name="tangelo", + name="tangelo-gc", author="The Tangelo developers", version=version, - description="Tangelo is a python package developed by Good Chemistry Company, focusing on the development " - "of end-to-end materials simulation workflows on quantum computers.", - long_description=long_description, - long_description_content_type="text/x-rst", + description=description, + long_description=description, + #long_description_content_type=description, url="https://github.com/goodchemistryco/Tangelo", packages=setuptools.find_packages(), test_suite="tangelo",