@@ -31,6 +20,8 @@ The other modules produced by Mark Driver required for this work to function are
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@@ -31,6 +20,8 @@ The other modules produced by Mark Driver required for this work to function are
If you have not already set up ssh access to the gitlab server please look through the instructions on the gitlab help page [https://gitlab.developers.cam.ac.uk/help/ssh/README](https://gitlab.developers.cam.ac.uk/help/ssh/README).
If you have not already set up ssh access to the gitlab server please look through the instructions on the gitlab help page [https://gitlab.developers.cam.ac.uk/help/ssh/README](https://gitlab.developers.cam.ac.uk/help/ssh/README).
### Setting up the python environment ###
### Setting up the python environment ###
Change to the repository:
Change to the repository:
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@@ -47,20 +38,34 @@ This creates and environment callled 'resultsanalysis' which can be loaded using
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@@ -47,20 +38,34 @@ This creates and environment callled 'resultsanalysis' which can be loaded using
### Install dependencies ###
### Install dependencies ###
Before installing this module please make sure that the required modules listed previously are installed in the current python environment. Before cloning the dependent repositories please change up a directory and follow install instructions to install in this environment.
Before installing this module please make sure that the required modules listed below are installed in the current python environment (resultsanalysis).
Before cloning the dependent repositories please change up a directory and follow install instructions to install within the readme files for the repository.
Do not follow the instructions to create a python environment.
For the SSIP phasetransfer module please compile a jar with dependencies as detailed in the repository documentation (This requires version 6.0.0 or greater). A pre-compiled jar with dependencies may be available on the repository \_\_\_ page.
#### Required modules ####
The other modules produced by Mark Driver required for this work to function are listed below. Please install them in the below order.
For the SSIP phasetransfer module please compile a jar with dependencies as detailed in the repository documentation (This requires version 6.0.0 or greater).
### Using pip to install module ###
### Using pip to install module ###
To install in your environment using pip run:
In the top level phasecalculator folder (where environment.yml and README.md files are located) using pip run the following command in your chosen python environment:
pip install .
pip install .
This installs it in your current python environment.
This installs it in your current python environment.
### Expected usage ###
### Expected usage ###
This module contains methods for the running of FGIP, similarity and VLE calculations for solvent mixtures at specified temperatures.
This module contains methods for the running of FGIP, similarity and VLE calculations for solvent mixtures at specified temperatures.
