Updated python libraries and intallation instructions.

README.md

@@ -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
 

environment.yml

@@ -1,4 +1,4 @@
-name: test_atmos_chem_env
+name: multiphase_chemistry_env
 channels:
   - conda-forge
   - defaults
@@ -9,11 +9,12 @@ dependencies:
   - pandas
   - matplotlib
   - plotly=5.18
-  - h5py=3.10
-  - pybis=1.35
-  - openssl
+#  - openssl
   - scipy
 # I installed openpyxl through anaconda manager from their default curated channels
   - openpyxl=3.0.10
+  - pip
   - pip:
-    - pygit2==1.14
+    - h5py==3.10
+    - pybis==1.35
+    - igor2