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