epsi
/
msspec_python3
3
0
Fork 0
Code Issues 6 Pull Requests Releases Wiki Activity

Update doc and README info.

This commit is contained in:
Sylvain Tricot 2020-03-31 18:29:41 +02:00
parent 4702d0cb0c
commit 81459cfcfc
2 changed files with 19 additions and 66 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

83
README.md
View File

@ -8,6 +8,14 @@ This is the Python MsSpec version with support for Python 3.x and dynamic memory
To work with the git repository
===============================
You can clone this repository onto your local computer using git
```Bash
git clone https://git.ipr.univ-rennes1.fr/epsi/msspec_python3.git
```
This will create a folder named "msspec_python3" with all the source code inside.
It is higly recommended to work in a Python virtual environment.
To create one, you can use:
@ -28,84 +36,29 @@ to activate the virtual environment (if you are in the folder where you created
source ./msspec_venv/bin/activate
```
To get the python package dependencies, you can install the requirements with the provided requirements.txt file.
Now you can build the program, go in the source folder
```Bash
pip install --upgrade -r requirements.txt
cd msspec_python3/src
```
You also need to export the path to the msspec package in the PYTHONPATH variable (replace the whereisthegitrepo part
of the string with the actual absolute path of your repo.
Install the python package dependencies.
```Bash
export PYTHONPATH=/whereisthegitrepo/src:$PYTHONPATH
pip install -r setup_requirements.txt
pip install -r requirements.txt
```
Finally you need to compile the fortran libs:
You need to compile the fortran libs. This is done by the scons (Software Construction) program
```Bash
make pybinding
scons
```
That's all. All you need to do each time you want to work with msspec is:
- To activate the virtual environment
- Export the path to msspec package in the PYTHONPATH variable
To create a self-extracible archive
===================================
If you want to create a setup program to install msspec:
At the root of the repo, type in
Finally, install the package in develop mode:
```Bash
make selfex
pip install -e .
```
This will compile the code and create the results of unit tests, then it will create a self-extractible archive in the package folder
To install the \*.setup file
============================
Just execute the file with a shell
```Bash
sh ./MsSpec-###.setup
```
Replace ### with the version number.
To automatically accept the defaults you could type in
```Bash
sh ./MsSpec-###.setup --accept -- -y
```
and to make the install process verbose:
```Bash
sh ./MsSpec-###.setup -- -d
```
That's all. All you need to do each time you want to work with msspec is activating the virtual environment

2
doc/source/title.svg
View File

@ -211,7 +211,7 @@
<text xml:space="preserve" style="font-style:normal;font-weight:normal;font-size:10.58333302px;line-height:1.25;font-family:sans-serif;letter-spacing:0px;word-spacing:0px;opacity:1;fill:url(#linearGradient4514);fill-opacity:1;stroke:#000000;stroke-width:0.80000001;stroke-miterlimit:4;stroke-dasharray:none;stroke-opacity:1" x="25.348156" y="124.76579" id="text3701"><tspan sodipodi:role="line" id="tspan3699" x="25.348156" y="124.76579" style="font-style:normal;font-variant:normal;font-weight:bold;font-stretch:normal;font-size:22.57777786px;font-family:sans-serif;-inkscape-font-specification:'sans-serif Bold';fill:url(#linearGradient4514);fill-opacity:1;stroke:#000000;stroke-width:0.80000001;stroke-miterlimit:4;stroke-dasharray:none;stroke-opacity:1">MsSpec</tspan></text>
</g>
<text id="text5853" y="137.12766" x="133.93088" style="font-style:normal;font-weight:normal;font-size:10.58333302px;line-height:0.5;font-family:sans-serif;text-align:end;letter-spacing:0px;word-spacing:0px;text-anchor:end;fill:#000000;fill-opacity:1;stroke:none;stroke-width:0.26458332" xml:space="preserve"><tspan id="tspan5859" style="font-size:4.93888903px;line-height:0.5;text-align:end;text-anchor:end;fill:#ffffff;stroke-width:0.26458332" y="137.12766" x="133.93088" sodipodi:role="line">A multiple scattering package for spectroscopies</tspan><tspan id="tspan5863" style="font-size:4.93888903px;line-height:0.5;text-align:end;text-anchor:end;fill:#ffffff;stroke-width:0.26458332" y="142.47444" x="133.93088" sodipodi:role="line">using electrons to probe materials</tspan></text>
<text xml:space="preserve" style="font-style:normal;font-weight:normal;font-size:10.53155231px;line-height:1.25;font-family:sans-serif;letter-spacing:0px;word-spacing:0px;fill:#626262;fill-opacity:1;stroke:none;stroke-width:0.2632888;" x="10.515821" y="52.373512" id="____dev_version" inkscape:label="#text995"><tspan sodipodi:role="line" id="dev_version" x="10.515821" y="52.373512" style="font-style:normal;font-variant:normal;font-weight:normal;font-stretch:normal;font-size:5.64444447px;font-family:sans-serif;-inkscape-font-specification:sans-serif;fill:#626262;stroke-width:0.2632888;fill-opacity:1;">post release: 11</tspan></text>
<text xml:space="preserve" style="font-style:normal;font-weight:normal;font-size:10.53155231px;line-height:1.25;font-family:sans-serif;letter-spacing:0px;word-spacing:0px;fill:#626262;fill-opacity:1;stroke:none;stroke-width:0.2632888;" x="10.515821" y="52.373512" id="____dev_version" inkscape:label="#text995"><tspan sodipodi:role="line" id="dev_version" x="10.515821" y="52.373512" style="font-style:normal;font-variant:normal;font-weight:normal;font-stretch:normal;font-size:5.64444447px;font-family:sans-serif;-inkscape-font-specification:sans-serif;fill:#626262;stroke-width:0.2632888;fill-opacity:1;">post release: 51</tspan></text>
</g>
</g>
</g>

Side by Side Swipe Overlay

Before

Width:  |  Height:  |  Size: 61 KiB

After

Width:  |  Height:  |  Size: 61 KiB