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Building MsSpec_DFM
===================
To build MsSpec_DFM, you need a fortran compiler (gfortran), python > 3.6 and pip
Getting the source code
-----------------------
To download the source code, you can clone the git repo of the project
```
$ git clone https://git.ipr.univ-rennes1.fr/epsi/MsSpec-DFM.git
```
If git is not avilable on your system, you can download a compressed archive
on the [repo website](https://git.ipr.univ-rennes1.fr/epsi/MsSpec-DFM).
Once downloaded, this archive should be uncompressed.
Building and installing
-----------------------
```
# Change to the src folder
$ cd MsSpec-DFM/src
# Type in 'make' or 'make all'
$ make
# This will install the commandline utility and python bindings
$ make install
```
Every new Python packages and dependencies will be installed in the
Python user site packages (under *$HOME/.local/* tree).
You can also use a Python virtual environment
Uninstalling
------------
```
$ pip uninstall msspec_dfm
```
Running the code
================
The program can be run either from the command line or from a Python script.
Command-line
------------
The executable is called 'eps'. Type in 'man eps' to get more help. It has 3 main sub-commands:
- generate
- compute
- plot
Begin by generating an input file with default values:
```
$ eps generate
```
It will create a default input file (Data/epsilon.dat).
Then, edit this input file according to your needs. You can find some details
about the allowed values of input parameters [here](./DESC) and launch a calculation.
```
$ eps compute Data/epsilon.dat
```
Finally you can plot the results
```
$ eps plot diel_func
```
Python bindings
---------------
Have a look to [this example](./examples/example00.py)