Re: [Rdkit-discuss] install on macosx with Python 3.8

2021-06-25 Thread Michal Krompiec 
Thanks Maciek, Francois and Peter. A clean conda environment was all that
was needed…
Best,
Michal

On Fri, Jun 25, 2021 at 1:44 AM Francois Berenger  wrote:

> On 25/06/2021 02:57, Michal Krompiec wrote:
> > Hello,
> > Is it possible to install RDKit on MacOSX in a Python 3.8 environment?
> > There is no conda binary for 3.8, so I tried homebrew. But the
> > following gives me an error message (brew doesn't like the
> > --with-python3 argument):
> >
> > brew install rdkit --with-python3 --without-numpy
> >
> > So I did just "brew install rdkit", but then rdkit is unimportable in
> > Python ("No module named 'rdkit'"). What am I doing wrong?
>
> You are not using the python interpreter for which rdkit
> was installed by brew.
>
> Check what the brew installer of rdkit is doing, especially
> look which python version it installs rdkit for.
>
> Alternatively, fire up each and every python interpreter
> installed on your computer, and try 'import rdkit'
> until you find the one for which it works.
>
> Regards,
> F.
>
> > I'm using brew 3.2.0 on MacOS 11.4
> >
> > Thanks in advance,
> >
> > Michal Krompiec
> > ___
> > Rdkit-discuss mailing list
> > Rdkit-discuss@lists.sourceforge.net
> > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
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Re: [Rdkit-discuss] install on macosx with Python 3.8

2021-06-24 Thread Francois Berenger 

On 25/06/2021 02:57, Michal Krompiec wrote:

Hello,
Is it possible to install RDKit on MacOSX in a Python 3.8 environment?
There is no conda binary for 3.8, so I tried homebrew. But the
following gives me an error message (brew doesn't like the
--with-python3 argument):

brew install rdkit --with-python3 --without-numpy

So I did just "brew install rdkit", but then rdkit is unimportable in
Python ("No module named 'rdkit'"). What am I doing wrong?


You are not using the python interpreter for which rdkit
was installed by brew.

Check what the brew installer of rdkit is doing, especially
look which python version it installs rdkit for.

Alternatively, fire up each and every python interpreter
installed on your computer, and try 'import rdkit'
until you find the one for which it works.

Regards,
F.


I'm using brew 3.2.0 on MacOS 11.4

Thanks in advance,

Michal Krompiec
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Re: [Rdkit-discuss] install on macosx with Python 3.8

2021-06-24 Thread Maciek Wójcikowski 
Hi Michał,

Conda-forge is your solution - you probably checked legacy rdkit channel.

Best,
Maciek

czw., 24 cze 2021, 19:59 użytkownik Michal Krompiec <
michal.kromp...@gmail.com> napisał:

> Hello,
> Is it possible to install RDKit on MacOSX in a Python 3.8 environment?
> There is no conda binary for 3.8, so I tried homebrew. But the following
> gives me an error message (brew doesn't like the --with-python3 argument):
>
> brew install rdkit --with-python3 --without-numpy
>
> So I did just "brew install rdkit", but then rdkit is unimportable in
> Python ("No module named 'rdkit'"). What am I doing wrong?
>
> I'm using brew 3.2.0 on MacOS 11.4
>
>
> Thanks in advance,
>
>
> Michal Krompiec
> ___
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
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Re: [Rdkit-discuss] install on macosx with Python 3.8

2021-06-24 Thread Peter St. John 
There should be a conda binary for mac / python 3.8 with conda-forge, just
follow the first command listed here:
https://www.rdkit.org/docs/Install.html#how-to-install-rdkit-with-conda

On Thu, Jun 24, 2021 at 11:59 AM Michal Krompiec 
wrote:

> Hello,
> Is it possible to install RDKit on MacOSX in a Python 3.8 environment?
> There is no conda binary for 3.8, so I tried homebrew. But the following
> gives me an error message (brew doesn't like the --with-python3 argument):
>
> brew install rdkit --with-python3 --without-numpy
>
> So I did just "brew install rdkit", but then rdkit is unimportable in
> Python ("No module named 'rdkit'"). What am I doing wrong?
>
> I'm using brew 3.2.0 on MacOS 11.4
>
>
> Thanks in advance,
>
>
> Michal Krompiec
> ___
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
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[Rdkit-discuss] install on macosx with Python 3.8

2021-06-24 Thread Michal Krompiec 
Hello,
Is it possible to install RDKit on MacOSX in a Python 3.8 environment?
There is no conda binary for 3.8, so I tried homebrew. But the following
gives me an error message (brew doesn't like the --with-python3 argument):

brew install rdkit --with-python3 --without-numpy

So I did just "brew install rdkit", but then rdkit is unimportable in
Python ("No module named 'rdkit'"). What am I doing wrong?

I'm using brew 3.2.0 on MacOS 11.4


Thanks in advance,


Michal Krompiec
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