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README.md

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. 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 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