Warning

You are reading the documentation related to the development version. Go here if you are looking for the documentation of the stable release.

Installation Guide for Mac OSX¶

Installation using Conda¶

The following steps have been checked only with OSX-Catalina but should work with previous versions as well and hopefully on the more recent OSX version.

As said before, we highly recommend that all new users install SpectroChemPy interface via Conda. You can install SpectroChemPy in a dedicated environment (recommended, steps 4. and 5. below). You can also use your base environment or an existing environment (then skip steps 4. and 5.)

Open a terminal and update conda:
```
(base)  ~ $ conda update conda
```
your exact prompt may be different depending on the shell you are using and its configuration
Add channels to the base configuration to simplify the installation of specific packages from different sources:
```
(base)  ~ $ conda config --add channels spectrocat
(base)  ~ $ conda config --add channels conda-forge
(base)  ~ $ conda config --add channels cantera
```
Note that the last line about cantera is only require if you intend to work the kinetics modules of SpectroChemPy .
Recommended: you should create a dedicated environment in order to isolate the changes made on the installed library from any other previous installation for another application.

We will name this new environment scpy in this example but of course you can use whatever name you want.
```
(base)  ~ $ conda create -n scpy
```
Switch to this environment. At this point, (scpy) should appear before the prompt instead of (base) .
```
(base)  ~ $ conda activate scpy
(scpy)  ~ $
```
Note

You can chose to make the scpy environment as a default

Edit the startup profile so that the last line is source activate environment_name.

In Mac OSX this is ~/.bash_profile. If you use Mac OSX Catalina, it may be ~/.zshrc.

In linux: this may be ~/.bashrc
```
(scpy)  ~ $ open ~/.bash_profile
```
Go to end of file and type the following:
```
(scpy)  ~ $ conda activate scpy
```
Save and exit File. Start a new terminal window. Type the following to see what environment is active
```
(scpy)  ~ $ conda info -e
```
The result shows that your are using your environment by default.
Install SpectroChemPy

The conda installer has to solve all packages dependencies and is definitely a bit slow. So we recommend to install mamba as a drop-in replacement via:
```
(scpy)  ~ $ conda install mamba
```
To install a stable version of spectrochempy, then you just have to do :
```
(scpy)  ~ $ mamba install spectrochempy
```
or if you rather prefer not to use mamba:
```
(scpy)  ~ $ conda install spectrochempy
```
This can take time, depending on your python installation and the number of missing packages.

If you prefer to deal with the latest development version, you must use the following command to install from the spectrocat/label/dev channel instead of the spectrocat channel:
```
(scpy)  ~ $ mamba install -c spectrocat/label/dev spectrochempy
```

Installation using pip¶

If you prefer to use pip, here are the installation steps. We assume that you have a working installation of python > 3.6.

Open a terminal and update pip:

$ python -m pip install --user --upgrade pip

Creating a virtual environment

$ python -m venv env
$ source env/bin/activate

Check that you in the correct environment

(env) $ which python

.../env/bin/python

Install all required packages

The easiest way to achieve this is to use the requirements.txt present on our github repository or in the present documentation (<link>)
```
(env) $ python -m pip install -r https://www.spectrochempy.fr/downloads/requirements.txt
```

Install spectrochempy from pypi

(env) $ python -m pip install spectrochempy

Check the Installation¶

Run a IPython session by issuing in the terminal the following command:

(scpy) ~ $ ipython

Then execute the following command:

In [1]: from spectrochempy import *

If this goes well, you should see the following output, indicating that Spectrochempy is likely functional !

SpectroChemPy's API - v.0.1.17
© Copyright 2014-2020 - A.Travert & C.Fernandez @ LCS

The recommended next step is to proceed to the User’s Guide & Tutorials .