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Fixes #1812 (#5373)

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* Add insturction to install RDKit from pypi using pip

* Add wheels at PyPi repo
This commit is contained in:
Chris Kuenneth
2022-06-18 04:50:07 +02:00
committed by GitHub
parent 7ee0eecd29
commit 3d2d6f6e79
2 changed files with 15 additions and 2 deletions
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16
Docs/Book/Install.md
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@@ -2,9 +2,9 @@
Below a number of installation recipes is presented, with varying degree of complexity.
## Cross-platform under anaconda python (fastest install)
## Cross-platform using Conda
### Introduction to anaconda
### Introduction to Conda
Conda is an open-source, cross-platform, software package manager. It supports the packaging and distribution of software components, and manages their installation inside isolated execution environments. It has several analogies with pip and virtualenv, but it is designed to be more "python-agnostic" and more suitable for the distribution of binary packages and their dependencies.
@@ -161,6 +161,18 @@ psql my_rdkit_db
If you are trying to use multiple installations of PostgreSQL in different environments, you will need to setup different pid files, unix sockets and ports by [editing the PostgreSQL config files](https://opensourcedbms.com/dbms/running-multiple-postgresql-9-2-instances-on-one-server-in-centos-6rhel-6fedora/). With the above configurations these files can be found in /folder/where/data/should/be/stored.
## Cross-platform using PIP
Linux, Windows, and macOS RDKit platform wheels are available at the [rdkit ](https://pypi.org/project/rdkit/) PyPi repository for all major Python versions. You can install RDKit using pip.
```sh
pip install rdkit
```
Build information and details can be found at the [https://github.com/kuelumbus/rdkit-pypi](https://github.com/kuelumbus/rdkit-pypi) GitHub page. Please open an issue directly at this Github page if you find something not working as expected.
Note: Older versions of RDKit might be available at the [`rdkit-pypi`](https://pypi.org/project/rdkit-pypi/) PyPi repository. `rdkit-pypi` is the old name of RDKit at PyPi.
## Linux and OS X
### Installation from repositories

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README.md
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@@ -60,6 +60,7 @@ Installation instructions are available in [Docs/Book/Install.md](https://github
* [homebrew](https://github.com/rdkit/homebrew-rdkit) formula for building on the Mac. Contributed by Eddie Cao.
* [recipes](https://github.com/rdkit/conda-rdkit) for building using the excellent conda package manager. Contributed by Riccardo Vianello.
* [APKs](https://github.com/daverona/alpine-rdkit) for Alpine Linux. Contributed by da Verona
* [Wheels](https://pypi.org/project/rdkit/) at PyPi for all major platforms and python versions. Contributed by Christopher Kuenneth
## Projects using RDKit