From c9eb4d2e4dcf2759b0268716de61bb3e4adb26f4 Mon Sep 17 00:00:00 2001 From: Kobi Felton Date: Wed, 10 Jun 2020 07:54:05 +0100 Subject: [PATCH] Bump version to 0.4.0 --- README.rst | 58 ++++++++++++++++++++++++++++++++++++++------------ pyproject.toml | 2 +- setup.py | 20 ++++++----------- 3 files changed, 51 insertions(+), 29 deletions(-) diff --git a/README.rst b/README.rst index c6af937c..0611470d 100644 --- a/README.rst +++ b/README.rst @@ -1,3 +1,6 @@ +.. role:: raw-html-m2r(raw) + :format: html + Summit ====== @@ -7,11 +10,11 @@ Summit is a set of tools for optimizing chemical processes. Installation ------------ -If you want to use summit immediately without installing python on your computer, go to our `Jupyterhub `_\ , which already has it installed. You can find a description of it `here `_. +If you want to use summit immediately without installing python on your computer, go to our `Jupyterhub `_\ , which already has it installed. You can find a description of Jupyterhub `here `_. To install locally: -``pip install git+https://github.com/sustainable-processes/summit.git@0.2.2#egg=summit`` +``pip install git+https://github.com/sustainable-processes/summit_private.git@0.3.0#egg=summit`` You might need to enter your username and password for Github. @@ -19,25 +22,52 @@ Documentation ------------- The documentation for summit can be found on the `wiki `_. +:raw-html-m2r:`` -Case Studies ------------- - -In addition to the documentation, we are prepareing several case studies. These contain jupyter notebooks with practical examples to follow. +Development +----------- +Downloading the code +^^^^^^^^^^^^^^^^^^^^ -* `Formulation `_ -* `Nanosilica `_ -* `Photo Amination `_ -* `Borrowing Hydrogen `_ -Develpment ----------- +#. Clone the repository: + ``git clone https://github.com/sustainable-processes/summit_private.git`` +#. Intall poetry by following the instructions `here `_. We use poetry for dependency management. +#. Install all dependencies: + ``poetry install`` +#. To run tests: + ``poetry run pytest --doctest-modules --ignore=case_studies`` -Build a release +Commit Worfklow ^^^^^^^^^^^^^^^ -Below is the old process. + +* Use the `project board `_ to keep track of issues. Issues will automatically be moved along in the board when they are closed in Github. +* Write tests in the tests/ folder +* Documentation follows the `numpy docstring format `_ + + * Please include examples when possible that can be tested using `doctest `_ + * All publicly available classes and methods should have a docstring + +* Commit to a branch off master and submit pull requests to merge. + + * To create a branch locally and push it: + .. code-block:: bash + + $ git checkout -b BRANCH_NAME + # Once you've made some changes + $ git commit -am "commit message" + $ git push -u origin BRANCH_NAME + #Now if you come back to Github, your branch should exist + + * All pull requests need one review. + * Tests will be run automatically when a pull request is created, and all tests need to pass before the pull request is merged. + +Releases +^^^^^^^^ + +Below is the old process for building a release. In the future, we will have this automated using Github actions. #. Install `s3pypi `_ and `dephell `_ diff --git a/pyproject.toml b/pyproject.toml index 47c67c2e..843594d5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "summit" -version = "0.3.0" +version = "0.4.0" description = "Tools for optimizing chemical processes" authors = ["Kobi Felton "] license = "" diff --git a/setup.py b/setup.py index cdeee4a1..46442421 100644 --- a/setup.py +++ b/setup.py @@ -21,7 +21,7 @@ setup( long_description=readme, name='summit', - version='0.3.0', + version='0.4.0', description='Tools for optimizing chemical processes', python_requires='==3.*,>=3.6.0', project_urls={ @@ -35,22 +35,14 @@ ], package_data={}, install_requires=[ - 'gpy==1.*,>=1.9.0', 'matplotlib==3.*,>=3.0.0', 'numpy==1.16.0', - 'pandas==0.*,>=0.24.1', 'platypus-opt==1.*,>=1.0.0', - 'sklearn==0.*,>=0.0.0' + 'gpy==1.*,>=1.9.0', 'gpyopt==1.*,>=1.2.6', 'numpy==1.16.0', + 'pandas==0.25.3', 'platypus-opt==1.*,>=1.0.0', 'sklearn==0.*,>=0.0.0', + 'sqsnobfit==0.*,>=0.4.3' ], extras_require={ 'dev': [ - 'anvil-uplink==0.*,>=0.3.22', 'black==18.*,>=18.3.0', - 'cheminventory==0.*,>=0.2.1', 'inspyred==1.*,>=1.0.0', - 'ipdb==0.*,>=0.12.0', 'ipywidgets==7.*,>=7.5.0', - 'jupyter==1.*,>=1.0.0', 'jupyterlab==1.*,>=1.1.3', - 'lxml==4.*,>=4.3.0', 'notify-run==0.*,>=0.0.11', - 'panel==0.*,>=0.6.2', 'papermill==1.*,>=1.0.0', - 'plotly==4.*,>=4.1.0', 'pubchempy==1.*,>=1.0.0', - 'pytest==3.*,>=3.0.0', 'pytest-mock==1.*,>=1.10.0', - 'python-dotenv==0.*,>=0.10.1', 'statsmodels==0.*,>=0.9.0', - 'tqdm==4.*,>=4.31.0', 'voila==0.*,>=0.1.10', 'xlrd==1.*,>=1.2.0' + 'ipdb==0.*,>=0.13.2', 'jupyterlab==2.*,>=2.1.1', + 'pytest==3.*,>=3.0.0' ] }, )