{ "info": { "author": "Vincent Elfving", "author_email": "quantumcode@quandco.com", "bugtrack_url": null, "classifiers": [ "License :: OSI Approved :: Apache Software License", "Operating System :: OS Independent", "Programming Language :: Python :: 3" ], "description": "=================\nQu & Co Chemistry\n=================\nQu & Co Quantum Code - Chemistry\n================================\n\nThe `Qu & Co Chemistry `__ package is an open source library (licensed under Apache 2) for compiling and running quantum chemistry algorithms on Rigetti's Forest quantum computing platform.\n\nInstallation\n------------\n\nTo start using Qu & Co Chemistry library, you need to first install the Rigetti's `Forest SDK `__ which contains both the Quantum Virtual Machine and the Rigetti's quantum compiler.\n\nYou can install the library in two different ways.\n\n**From PyPi or conda**\n\nUsing pip install the latest version from PyPi within a virtual environment:\n\n.. code-block:: bash\n\n python -m pip install qucochemistry\n\nAlternatively, the library can be installed within a conda environment:\n\n.. code-block:: bash\n\n conda install -c quco qucochemistry\n\n**From source**\n\nUsing pip, install the library within a virtual environment:\n\n.. code-block:: bash\n\n python -m pip install -r deploy/requirements.txt\n python -m pip install -e .\n\nAlternatively, install within a Conda environment using the provided environment:\n\n.. code-block:: bash\n\n conda env create -n -f deploy/environment.yml\n conda activate \n python -m pip install -e .\n\n\nUsage\n------------\n\nIn order to use this library within your program, Rigetti's quantum virtual machine and quantum compilers must be running in the background. \nIf you run on Linux or OSX and the Rigetti's `Forest SDK `__ is correctly installed, you can start them in the \nbackground with the following commands:\n\n.. code-block:: bash\n\n screen -dm -S qvm qvm -S\n screen -dm -S quilc quilc -S\n\nOn Windows just execute :code:`qvm -S` and :code:`quilc -S` commands in two separate cmd terminals. \n\nFor more details on how to use the library, several tutorials on Jupyter notebook are available `here `__.\nTo be able run end-to-end programs, you should install PySCF and OpenFermion-PySCF as additional dependencies with pip:\n\n.. code-block:: bash\n\n python -m pip install openfermionpyscf pyscf\n\nIf you created the Conda environment as described in the previous section, you should be able to install these dependencies within \nthe environment with the same command.\n\n\nDevelopment\n-----------------\n\nThe unit tests are built using the `pytest` framework. In order to run them, install the qucochemistry package using the previous instruction\nand add the following dependencies:\n\n.. code-block:: bash\n\n # for Conda environment\n conda install pytest pytest-cov \n # for standard virtual environment\n python -m pip install pytest pytest-cov \n\nThe tests can be executed in the root project directory as follows:\n\n.. code-block:: bash\n\n pytest -v --cov=qucochemistry\n\nAn automatic code coverage report will be generated after running the above command. In order to visualize \nthe details of the code coverage for each module, an HTML report can be generated and rendered with your favorite\nbrowser\n\n\n.. code-block:: bash\n\n pytest -v --cov=qucochemistry --cov-report html\n firefox htmlcov/index.html\n\n\nHow to contribute\n-----------------\n\nWe'd love to accept your contributions and patches to Qu & Co Chemistry.\nThere are a few guidelines you need to follow.\nContributions to Qu & Co Chemistry must be accompanied by a Contributor License Agreement.\nYou (or your employer) retain the copyright to your contribution,\nthis simply gives us permission to use and redistribute your contributions as part of the project.\n\nAll submissions, including submissions by project members, require review.\nWe use GitHub pull requests for this purpose. Consult\n`GitHub Help `__ for\nmore information on using pull requests.\nFurthermore, please make sure your new code comes with extensive tests!\nWe use automatic testing to make sure all pull requests pass tests and do not\ndecrease overall test coverage by too much. Make sure you adhere to our style\nguide. Just have a look at our code for clues. We mostly follow\n`PEP 8 `__ and use\nthe corresponding `linter `__ to check for it.\nCode should always come with documentation.\n\nAuthors\n----------\n\n`Vincent Elfving `__ (Qu & Co B.V.)\n\nWe are happy to include future contributors as authors on later Qu & Co Chemistry releases.\n\nDisclaimer\n----------\nCopyright 2019\n\n\n", "description_content_type": "text/x-rst", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "", "keywords": "", "license": "Apache 2", "maintainer": "", "maintainer_email": "", "name": "qucochemistry", "package_url": "https://pypi.org/project/qucochemistry/", "platform": "", "project_url": "https://pypi.org/project/qucochemistry/", "project_urls": null, "release_url": "https://pypi.org/project/qucochemistry/0.1/", "requires_dist": [ "numpy (==1.15.4)", "scipy (==1.2.0)", "openfermion (==0.9.0)", "pyquil (==2.7.2)" ], "requires_python": ">=3.6", "summary": "A VQE package which interfaces with Rigetti's QCS platform", "version": "0.1" }, "last_serial": 5568745, "releases": { "0.1": [ { "comment_text": "", "digests": { "md5": "db5f660f3d9e2aac117db6597770bb11", "sha256": "1cdd3b402e5a0f9e246032f1f39749ab6869a48a9ca1bccf549344b628e92fdc" }, "downloads": -1, "filename": "qucochemistry-0.1-py3-none-any.whl", "has_sig": false, "md5_digest": "db5f660f3d9e2aac117db6597770bb11", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": ">=3.6", "size": 24310, "upload_time": "2019-07-22T19:17:58", "url": "https://files.pythonhosted.org/packages/0b/51/d4e543496d75fa3f90648bd29d5ea7684c4b07779e82d9b55232f72f81eb/qucochemistry-0.1-py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "df09d4b297d46281224a0724a03dee23", "sha256": "614688a48e4fb294243362bc26f84b794ec6089e18de8d0721b1aa173af76a88" }, "downloads": -1, "filename": "qucochemistry-0.1.tar.gz", "has_sig": false, "md5_digest": "df09d4b297d46281224a0724a03dee23", "packagetype": "sdist", "python_version": "source", "requires_python": ">=3.6", "size": 20746, "upload_time": "2019-07-22T19:18:00", "url": "https://files.pythonhosted.org/packages/d2/20/3751875070b00ab43bcd41130ddc4579b99311ab1bcc805a11897706e4ec/qucochemistry-0.1.tar.gz" } ], "0.1.0.dev20190530": [ { "comment_text": "", "digests": { "md5": "926809ff235b25261fa6689856e0cb24", "sha256": "5dfd69c83888bdd563858f3d457eaf15a26eb8c4783313446687ddc843f74f8a" }, "downloads": -1, "filename": "qucochemistry-0.1.0.dev20190530-py3-none-any.whl", "has_sig": false, "md5_digest": "926809ff235b25261fa6689856e0cb24", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": null, "size": 21315, "upload_time": "2019-05-29T20:52:57", "url": "https://files.pythonhosted.org/packages/54/a3/148a4571a4d759ecc28a26501117e54a8a47193f804ff930d1c6a7a77bba/qucochemistry-0.1.0.dev20190530-py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "566a382c85f008aba410ea4d67d93387", "sha256": "3d9189240ec3d1246818e0f1c8ff1b231743223c1f380238fb74e66311b8d38b" }, "downloads": -1, "filename": "qucochemistry-0.1.0.dev20190530.tar.gz", "has_sig": false, "md5_digest": "566a382c85f008aba410ea4d67d93387", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 16943, "upload_time": "2019-05-29T20:53:00", "url": "https://files.pythonhosted.org/packages/a8/b6/60ad6fed4270a08de86510e23191e11b6dd63c9c2f8b66c569cc98d11007/qucochemistry-0.1.0.dev20190530.tar.gz" } ], "0.1.0.dev20190531": [ { "comment_text": "", "digests": { "md5": "57f7014a5152144489cdef8b4656877d", "sha256": "7204f5f0bc7cb62b502aab31062b6c6d85fe423dddfd29369bc24480351ef987" }, "downloads": -1, "filename": "qucochemistry-0.1.0.dev20190531-py3-none-any.whl", "has_sig": false, "md5_digest": "57f7014a5152144489cdef8b4656877d", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": ">=3.6", "size": 21314, "upload_time": "2019-05-30T15:19:33", "url": "https://files.pythonhosted.org/packages/1c/2f/30ae32b31e2507c625c97b1374d5adfee10393b126081fd79ef1c1012b9d/qucochemistry-0.1.0.dev20190531-py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "bdfcbc94ef9b9231a70d735b82530078", "sha256": "768986d59707e014eaa7732629626cd7033e291f9320d57106d93c89362e87cb" }, "downloads": -1, "filename": "qucochemistry-0.1.0.dev20190531.tar.gz", "has_sig": false, "md5_digest": "bdfcbc94ef9b9231a70d735b82530078", "packagetype": "sdist", "python_version": "source", "requires_python": ">=3.6", "size": 17051, "upload_time": "2019-05-30T15:19:36", "url": "https://files.pythonhosted.org/packages/b0/e1/880cab8e937cb3a566cf431a58e41c059d7bfb0a047dd438ed77d7930353/qucochemistry-0.1.0.dev20190531.tar.gz" } ], "0.1.0.dev20190601": [ { "comment_text": "", "digests": { "md5": "3d92d9b4da644145dccb4dc7961f521e", "sha256": "108cb663abbc7b542cabb7ecabbb2480274d8bf203f89ff7e169a19095823498" }, "downloads": -1, "filename": "qucochemistry-0.1.0.dev20190601-py3-none-any.whl", "has_sig": false, "md5_digest": "3d92d9b4da644145dccb4dc7961f521e", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": ">=3.6", "size": 21323, "upload_time": "2019-05-30T15:50:41", "url": "https://files.pythonhosted.org/packages/c0/49/9db92828c7cab778a9ec007016b65062c67bb936feecd237ef78bd3bab40/qucochemistry-0.1.0.dev20190601-py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "782bb277dfd34ae46e122ee88cf36b65", "sha256": "039fa642c6933a8ca1c5b738b887520a050b28565c57ba6e50150a9e504a9305" }, "downloads": -1, "filename": "qucochemistry-0.1.0.dev20190601.tar.gz", "has_sig": false, "md5_digest": "782bb277dfd34ae46e122ee88cf36b65", "packagetype": "sdist", "python_version": "source", "requires_python": ">=3.6", "size": 17052, "upload_time": "2019-05-30T15:50:43", "url": "https://files.pythonhosted.org/packages/85/c6/78b7fe9c525adbece6f79aff3f1c3d6f837370f858ec06e77d97b2742f12/qucochemistry-0.1.0.dev20190601.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "db5f660f3d9e2aac117db6597770bb11", "sha256": "1cdd3b402e5a0f9e246032f1f39749ab6869a48a9ca1bccf549344b628e92fdc" }, "downloads": -1, "filename": "qucochemistry-0.1-py3-none-any.whl", "has_sig": false, "md5_digest": "db5f660f3d9e2aac117db6597770bb11", "packagetype": "bdist_wheel", "python_version": "py3", "requires_python": ">=3.6", "size": 24310, "upload_time": "2019-07-22T19:17:58", "url": "https://files.pythonhosted.org/packages/0b/51/d4e543496d75fa3f90648bd29d5ea7684c4b07779e82d9b55232f72f81eb/qucochemistry-0.1-py3-none-any.whl" }, { "comment_text": "", "digests": { "md5": "df09d4b297d46281224a0724a03dee23", "sha256": "614688a48e4fb294243362bc26f84b794ec6089e18de8d0721b1aa173af76a88" }, "downloads": -1, "filename": "qucochemistry-0.1.tar.gz", "has_sig": false, "md5_digest": "df09d4b297d46281224a0724a03dee23", "packagetype": "sdist", "python_version": "source", "requires_python": ">=3.6", "size": 20746, "upload_time": "2019-07-22T19:18:00", "url": "https://files.pythonhosted.org/packages/d2/20/3751875070b00ab43bcd41130ddc4579b99311ab1bcc805a11897706e4ec/qucochemistry-0.1.tar.gz" } ] }