{ "info": { "author": "Pablo Baudin", "author_email": "pablo.baudin@epfl.ch", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Natural Language :: English", "Operating System :: POSIX :: Linux", "Operating System :: Unix", "Programming Language :: Python", "Programming Language :: Unix Shell", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics" ], "description": "|Documentation Status|\n|MIT license| \n\n.. |Documentation Status| image:: https://readthedocs.org/projects/comp_chem_py/badge/?version=latest\n :target: http://comp_chem_py.readthedocs.io/?badge=latest\n \n.. |MIT license| image:: https://img.shields.io/badge/License-MIT-blue.svg\n :target: LICENSE\n \n\nSet up and installation\n=======================\n\nIn order to use the library, first clone it::\n\n git clone --recursive https://gitlab.com/pablobaudin/comp_chem_py.git\n\nThen export the PATH in your ``~/.bashrc``::\n\n COMP_CHEM_PATH=/path/to/comp_chem_py/root/dir\n export PATH=${COMP_CHEM_PATH}/bin:$PATH\n export PYTHONPATH=${COMP_CHEM_PATH}/external:$PYTHONPATH\n export PYTHONPATH=${COMP_CHEM_PATH}/src:$PYTHONPATH\n\n\nDocumentation\n=============\n\n* Please take a look at the code `documentation `_ for more details. \n\n\n.. todo::\n #. Keep improving documentation.\n #. Remove old_comp_chem_py repository/group and all subrepositories or archive it.\n #. Add tests. Maybe with doctest. They should also be included in the setup.py. See,\n https://python-packaging.readthedocs.io/en/latest/testing.html\n #. Consider making comp_chem_utils an external submodule.\n #. Add section about requirements and dependencies on documentation.\n #. Add the ebsel package into setup.py using the git repo as,\n dependency_links=['http://github.com/user/repo/tarball/master#egg=package-1.0']", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://comp-chem-py.readthedocs.io/en/latest/", "keywords": "", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "comp-chem-py", "package_url": "https://pypi.org/project/comp-chem-py/", "platform": "", "project_url": "https://pypi.org/project/comp-chem-py/", "project_urls": { "Homepage": "https://comp-chem-py.readthedocs.io/en/latest/" }, "release_url": "https://pypi.org/project/comp-chem-py/1.0/", "requires_dist": null, "requires_python": "", "summary": "Computational chemistry library in python", "version": "1.0" }, "last_serial": 4300141, "releases": { "1.0": [ { "comment_text": "", "digests": { "md5": "42cc4be38352d6afe67d852b582d2b03", "sha256": "40fb0c5ca4c4f72b140a7e926a36a2a09700d59a603de53e7c8050c3da9c5e4f" }, "downloads": -1, "filename": "comp_chem_py-1.0.tar.gz", "has_sig": false, "md5_digest": "42cc4be38352d6afe67d852b582d2b03", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 53020, "upload_time": "2018-09-22T17:39:50", "url": "https://files.pythonhosted.org/packages/98/3c/0b317a2890b7bc5bdfc8f1dc69714490f108b1dc50dd6bb14382904ad713/comp_chem_py-1.0.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "42cc4be38352d6afe67d852b582d2b03", "sha256": "40fb0c5ca4c4f72b140a7e926a36a2a09700d59a603de53e7c8050c3da9c5e4f" }, "downloads": -1, "filename": "comp_chem_py-1.0.tar.gz", "has_sig": false, "md5_digest": "42cc4be38352d6afe67d852b582d2b03", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 53020, "upload_time": "2018-09-22T17:39:50", "url": "https://files.pythonhosted.org/packages/98/3c/0b317a2890b7bc5bdfc8f1dc69714490f108b1dc50dd6bb14382904ad713/comp_chem_py-1.0.tar.gz" } ] }