From 990222c37262496190e66d797eddb1c166ccd45e Mon Sep 17 00:00:00 2001 From: wjm41 Date: Tue, 14 Mar 2023 21:02:09 +0000 Subject: [PATCH] added rdkit-pypi dependency --- README.md | 1 - setup.py | 3 +++ setup_pip.py | 3 ++- 3 files changed, 5 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index e9b4930..46bcd47 100644 --- a/README.md +++ b/README.md @@ -17,7 +17,6 @@ A readable walkthrough of how to use the package together with some useful examp ```sh pip install molplotly -conda install rdkit ``` ## Usage diff --git a/setup.py b/setup.py index 24ddc84..97b6696 100644 --- a/setup.py +++ b/setup.py @@ -15,6 +15,7 @@ "werkzeug>=2.0.0", "jupyter-dash>=0.4.2", "plotly>=5.0.0", + "rdkit-pypi>=2021.9.4", "pandas", "ipykernel", "nbformat", @@ -29,3 +30,5 @@ "Programming Language :: Python :: 3", ], ) + +# TODO - change link in blog \ No newline at end of file diff --git a/setup_pip.py b/setup_pip.py index 82e4f5a..b30163a 100644 --- a/setup_pip.py +++ b/setup_pip.py @@ -18,12 +18,13 @@ author="William McCorkindale", author_email="wjm41@cam.ac.uk", url="https://github.com/wjm41/molplotly", - download_url="https://github.com/wjm41/molplotly/archive/refs/tags/v1.1.5.tar.gz", + download_url="https://github.com/wjm41/molplotly/archive/refs/tags/v1.1.6.tar.gz", install_requires=[ "dash>=2.0.0", "werkzeug>=2.0.0", "jupyter-dash>=0.4.2", "plotly>=5.0.0", + "rdkit-pypi>=2021.9.4", "pandas", "ipykernel", "nbformat",