Update doc and README info.
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README.md
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README.md
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@ -8,6 +8,14 @@ This is the Python MsSpec version with support for Python 3.x and dynamic memory
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To work with the git repository
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To work with the git repository
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===============================
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===============================
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You can clone this repository onto your local computer using git
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```Bash
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git clone https://git.ipr.univ-rennes1.fr/epsi/msspec_python3.git
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```
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This will create a folder named "msspec_python3" with all the source code inside.
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It is higly recommended to work in a Python virtual environment.
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It is higly recommended to work in a Python virtual environment.
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To create one, you can use:
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To create one, you can use:
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@ -28,84 +36,29 @@ to activate the virtual environment (if you are in the folder where you created
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source ./msspec_venv/bin/activate
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source ./msspec_venv/bin/activate
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```
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```
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To get the python package dependencies, you can install the requirements with the provided requirements.txt file.
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Now you can build the program, go in the source folder
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```Bash
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```Bash
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pip install --upgrade -r requirements.txt
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cd msspec_python3/src
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```
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```
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You also need to export the path to the msspec package in the PYTHONPATH variable (replace the whereisthegitrepo part
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Install the python package dependencies.
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of the string with the actual absolute path of your repo.
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```Bash
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```Bash
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export PYTHONPATH=/whereisthegitrepo/src:$PYTHONPATH
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pip install -r setup_requirements.txt
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pip install -r requirements.txt
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```
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```
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Finally you need to compile the fortran libs:
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You need to compile the fortran libs. This is done by the scons (Software Construction) program
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```Bash
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```Bash
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make pybinding
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scons
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```
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```
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That's all. All you need to do each time you want to work with msspec is:
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Finally, install the package in develop mode:
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- To activate the virtual environment
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- Export the path to msspec package in the PYTHONPATH variable
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To create a self-extracible archive
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===================================
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If you want to create a setup program to install msspec:
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At the root of the repo, type in
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```Bash
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```Bash
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make selfex
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pip install -e .
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```
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```
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This will compile the code and create the results of unit tests, then it will create a self-extractible archive in the package folder
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That's all. All you need to do each time you want to work with msspec is activating the virtual environment
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To install the \*.setup file
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============================
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Just execute the file with a shell
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```Bash
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sh ./MsSpec-###.setup
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```
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Replace ### with the version number.
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To automatically accept the defaults you could type in
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```Bash
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sh ./MsSpec-###.setup --accept -- -y
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```
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and to make the install process verbose:
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```Bash
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sh ./MsSpec-###.setup -- -d
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```
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@ -211,7 +211,7 @@
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<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>
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</g>
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</g>
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<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>
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<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>
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<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>
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<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>
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</g>
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</g>
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</g>
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