Dear all,
I strongly advise current users of the previous rdkit brew formula to
try installing this new one.
So that we can detect and correct potential problems.
If it works at least as well as the previous formula (which was
accessible after brew tap rdkit/rdkit),
then we might stop maintaining the old brew formula.
Regards,
F.
On 20/03/2021 01:28, Yoshitaka Moriwaki wrote:
Dear RDKit users,
I'm pleased to inform macOS and Linux users that the latest stable
rdkit (2020.09.5) is now available on homebrew-core and
linuxbrew-core.
The biggest change is that the rdkit formula has been moved to the
official and default repository to make use of the test bot, which
verifies the compatibility of formula for macOS and Linux OS and
generate binary packages as 'bottle'. This allows us to install RDKit
quickly and safely.
The install procedure is simple if you've already installed
Homebrew/Linuxbrew:
```
# brew untap rdkit/rdkit # if required
brew install rdkit
```
The latest formula includes several options such as avalon, cairo,
inchi, freesasa, yaehmop, and PgSQL. See also
https://github.com/Homebrew/homebrew-core/blob/master/Formula/rdkit.rb
.
Since homebrew/linuxbrewed-rdkit may conflict with conda-rdkit, please
decide which one to use at your own risk.
I thank Francois Berenger, Eddie Cao, and the contributors who
maintained the rdkit formula.
Sincerely,
Yoshitaka Moriwaki
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