From a073dc15200c821923055ff809778c8d83ca9d1e Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Mon, 7 Mar 2022 16:26:19 +0100 Subject: [PATCH 1/3] Added INSTALL instructions. --- INSTALL.md | 45 +++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 45 insertions(+) create mode 100644 INSTALL.md diff --git a/INSTALL.md b/INSTALL.md new file mode 100644 index 0000000..46bc1db --- /dev/null +++ b/INSTALL.md @@ -0,0 +1,45 @@ +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 +``` From da10eed84edb764efa539a21117e16bf0fc2e8a0 Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Tue, 19 Apr 2022 16:23:52 +0200 Subject: [PATCH 2/3] Update install instructions --- INSTALL.md | 39 +++++++++++++++++++++++++++++++++++++++ 1 file changed, 39 insertions(+) diff --git a/INSTALL.md b/INSTALL.md index 46bc1db..3026022 100644 --- a/INSTALL.md +++ b/INSTALL.md @@ -43,3 +43,42 @@ 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 +``` + +Then, edit this input file according to your needs and compute + +``` +$ 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) From 549ec2ea7f4ae209035e6dbf0ec0ed54fd2ea01e Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Tue, 19 Apr 2022 16:31:03 +0200 Subject: [PATCH 3/3] Update README --- README => DESC | 0 INSTALL.md => README.md | 6 ++++-- 2 files changed, 4 insertions(+), 2 deletions(-) rename README => DESC (100%) rename INSTALL.md => README.md (84%) diff --git a/README b/DESC similarity index 100% rename from README rename to DESC diff --git a/INSTALL.md b/README.md similarity index 84% rename from INSTALL.md rename to README.md index 3026022..49129e2 100644 --- a/INSTALL.md +++ b/README.md @@ -32,7 +32,7 @@ $ make install ``` Every new Python packages and dependencies will be installed in the -Python user site packages (under $HOME/.local/ tree). +Python user site packages (under *$HOME/.local/* tree). You can also use a Python virtual environment @@ -66,7 +66,9 @@ Begin by generating an input file with default values: $ eps generate ``` -Then, edit this input file according to your needs and compute +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