Updated python libraries and intallation instructions.

This commit is contained in:
2024-04-23 13:20:42 +02:00
parent 8876d5af4f
commit 129443d6d9
2 changed files with 35 additions and 5 deletions

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@ -5,6 +5,28 @@ Python library to work with XPS data campaigns, encoded in HDF5 files.
## TODO
* Talk to Thorsten about rga txt files. Example folder contains incosistent rga txt files, there is no unique column separator (, or )
## Installation
Follow these steps to install and set up the project:
1. Download our GitLab repository, or type the following commands
```
cd ~/Documents/GitLab
git clone https://gitlab.psi.ch/5505/functionspython.git
conda env create -f environment.yml
```
2. Open an Anaconda Prompt (Anaconda3) as administrator, and set the current directory to the path of the project's folder.
3. Create the project's environment `multiphase_chemistry_env` by running the following command:
```
conda env create -f environment.yml
```
4. Activate the created environment by running the appropriate command based on your preferred Python IDE or terminal:
* Jupyter Notebook/Lab: When starting a new notebook, select the `multiphase_chemistry_env` environment from the kernel options.
* Visual Studio Code (VS Code): After opening your project in VS Code, click on the Python interpreter in the status bar and choose the `multiphase_chemistry_env` environment.
## Getting started
@ -23,6 +45,13 @@ git remote add origin https://gitlab.psi.ch/5505/functionspython.git
git branch -M main
git push -uf origin main
```
## Data integration workflow
## Metadata review workflow
- review through branches
- updating files with metadata in Openbis
## Integrate with your tools
## Integrate with your tools