Merge branch 'release/0.1.3'
This commit is contained in:
commit
9166b8d3ef
|
@ -0,0 +1,86 @@
|
|||
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)
|
Loading…
Reference in New Issue