Installation from sources (master or develop versions)¶
Installing git¶
To install SpectroChemPy
from sources, you first need to install git
on your system if it is not already present.
Git is a free and open source distributed control system used in well-known software repositories, such as GitHub or Bitbucket. For this project, we use a GitHub repository: spectrochempy repository.
Depending on your operating system, you may refer to these pages for installation instructions:
Download Git for macOS (One trivial option is to install XCode which is shipped with the git system).
Download for Linux and Unix. For the common Debian/Ubuntu distribution, it is as simple as typing in the Terminal:
$ sudo apt-get install git
Alternatively, once miniconda or anaconda is installed (see Installation guide or below if it not yet done), one can use conda to install git:
$ conda install git
To check whether or not git is correctly installed, use this command in the terminal:
$ git --version
Cloning the repository locally¶
The fastest way is to type these commands in a terminal on your machine:
$ git clone --depth=50 https://github.com/spectrochempy/spectrochempy.git
$ cd spectrochempy
$ git remote add upstream https://github.com/spectrochempy/spectrochempy.git
These commands create the directory spectrochempy
and connects your repository to the upstream
(master branch) SpectroChemPy
repository.
Create a conda environment¶
Make sure your conda is up to date (
conda update conda
)cd
to theSpectroChemPy
source directory (i.e.,spectrochempy
created previously)Create and activate an environment using python v.3.x.
This will create a new environment and will not touch any of your other existing environments, nor any existing Python installation. (conda installer is somewhat very slow, this is why we prefer to replace it by mamba
$ conda update conda $ conda install -c conda-forge mamba $ mamba env create -n scpy -f environment.yml $ conda activate scpy
Of course, you can also name your environment differently by replacing
scpy
by the name of your choice.
Install SpectroChemPy
in this environment¶
(scpy) $ python -m pip install .
At this point you should be able to import spectrochempy
:
(scpy) $ python
This start an interpreter in which you can check your installation.
>>> print(scp.version)
SpectroChemPy's API ...
>>> exit()
To view your environments:
(scpy) $ conda env list
To return to the base environment:
(scpy) $ conda deactivate
Updating SpectroChemPy
¶
One definite advantage of installing for git sources is that you can update your version very easily.
To update your local master branch, you can do:
(scpy) $ git pull upstream master --ff-only
and if some changes are notified, run pip again:
(scpy) $ python -m pip install .
To go further and eventually contribute to the code on the upstream, you can consult the Developer’s Guide .