1.7 KiB
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