Skip to content

Commit

Permalink
customize css of 'console' code (#15)
Browse files Browse the repository at this point in the history
 * change background of 'console' code to distinguish
   it from 'python' code

 * remove contentui extension (not needed)
 * PRACE 2018:
    * add graph figure
    * add workflows figure
  • Loading branch information
ltalirz committed Apr 30, 2019
1 parent 583bf3b commit 331cd3f
Show file tree
Hide file tree
Showing 14 changed files with 1,241 additions and 780 deletions.
3 changes: 3 additions & 0 deletions docs/_static/css/custom.css
Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
div.highlight-console div.highlight {
background-color: aliceblue;
}
Binary file added docs/assets/2018_PRACE_MaX/graph/graph-full.png
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added docs/assets/2018_PRACE_MaX/workfunctions.png
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
9 changes: 6 additions & 3 deletions docs/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@

# Add any Sphinx extension module names here, as strings. They can be extensions
# coming with Sphinx (named 'sphinx.ext.*') or your custom ones.
extensions = ['sphinx.ext.autodoc', 'sphinx.ext.doctest', 'sphinx.ext.todo', 'sphinx.ext.imgmath', 'sphinx.ext.ifconfig', 'sphinx.ext.viewcode', 'IPython.sphinxext.ipython_console_highlighting', 'IPython.sphinxext.ipython_directive', 'sphinxcontrib.contentui', 'recommonmark']
extensions = ['sphinx.ext.autodoc', 'sphinx.ext.doctest', 'sphinx.ext.todo', 'sphinx.ext.imgmath', 'sphinx.ext.ifconfig', 'sphinx.ext.viewcode', 'IPython.sphinxext.ipython_console_highlighting', 'IPython.sphinxext.ipython_directive', 'recommonmark']
ipython_mplbackend = ""

todo_include_todos = True
Expand Down Expand Up @@ -130,8 +130,7 @@
# Add any paths that contain custom static files (such as style sheets) here,
# relative to this directory. They are copied after the builtin static files,
# so a file named "default.css" will overwrite the builtin "default.css".
# TEMPORARILY DISABLED
#html_static_path = ['_static']
html_static_path = ['_static']

# If not '', a 'Last updated on:' timestamp is inserted at every page bottom,
# using the given strftime format.
Expand Down Expand Up @@ -311,3 +310,7 @@
# nitpick_ignore.append((dtype, target))

suppress_warnings = [ 'misc.highlighting_failure' ]


def setup(app):
app.add_stylesheet('css/custom.css')
26 changes: 13 additions & 13 deletions docs/pages/2018_PRACE_MaX/sections/calculations.md
Original file line number Diff line number Diff line change
Expand Up @@ -8,13 +8,13 @@ The AiiDA daemon

First of all, check that the AiiDA daemon is actually running. The AiiDA daemon is a program running all the time in the background, checking if new calculations appear and need to be submitted to the scheduler. The daemon also takes care of all the necessary operations before the calculation submission, and after the calculation has completed on the cluster. Type in the terminal

``` bash
```console
verdi daemon status
```

If the daemon is running, the output should look like

``` bash
```console
Profile: default
Daemon is running as PID 1650 since 2018-05-16 16:26:04
Active workers [1]:
Expand All @@ -26,7 +26,7 @@ If the daemon is running, the output should look like

If this is not the case, type in the terminal

``` bash
```console
verdi daemon start
```

Expand All @@ -39,7 +39,7 @@ To launch a calculation, you will need to interact with AiiDA mainly in the `ver

**The best way to run python scripts using AiiDA functionalities is to run them in a terminal by means of the command**

``` bash
```console
verdi run <scriptname>
```

Expand All @@ -51,7 +51,7 @@ Every calculation sent to a cluster is linked to a code, which describes the exe

Here `Code` is the general AiiDA class handling all possible codes, and `code` is a class instance tagged as `<codename>` (see the first part of the tutorial for listing all codes installed in your AiiDA machine). You might also want to list only the codes that define a default calculation plugin for the pw.x code of Quantum ESPRESSO. You can do this with the following command:

``` bash
```console
verdi code list -p quantumespresso.pw
```

Expand Down Expand Up @@ -118,7 +118,7 @@ Moreover, PWscf also needs information on the pseudopotentials, specified by Upf

You can list the preconfigured families from the command line:

``` bash
```console
verdi data upf listfamilies
```

Expand Down Expand Up @@ -212,7 +212,7 @@ In the meantine, as soon as you submitted your calculation, the daemon picked it

You can check the calculation status from the command line:

``` bash
```console
verdi calculation list
```

Expand All @@ -222,21 +222,21 @@ By now, it is possible that the calculation you submitted has already finished,

To see also (your) calculations that have finished (and limit those only to the one created in the past day), use instead

``` bash
```console
verdi calculation list -a -p1
```

as explained in the first section.

To inspect the list of input files generated by the AiiDA (this can be done even when the calculation did not finish yet), type

``` bash
```console
verdi calculation inputls <pk_number> -c
```

with `pk_number` the pk number of your calculation. This will show the contents of the input directory (`-c` prints directories in colour). Then you can also check the content of the actual input file with

``` bash
```console
verdi calculation inputcat <pk_number> | less
```

Expand All @@ -247,13 +247,13 @@ After all this work the calculation should end up in a FAILED Job state (last co

A first way to proceed is the manual inspection of the output file of PWscf. You can visualize it with:

``` bash
```console
verdi calculation outputcat <pk_number> | less
```

This can be a good primer for problem inspection. For something more compact, you can also try to inspect the calculation log (from AiiDA):

``` bash
```console
verdi calculation logshow <pk_number>
```

Expand Down Expand Up @@ -281,7 +281,7 @@ parameters_dict = {

If you launch the modified script by typing

``` bash
```console
verdi run test_pw.py
```

Expand Down
9 changes: 6 additions & 3 deletions docs/pages/2018_PRACE_MaX/sections/preliminaries.md
Original file line number Diff line number Diff line change
@@ -1,3 +1,6 @@
Preliminaries
=============

Instructions to SSH to the Amazon EC2 instance
----------------------------------------------

Expand Down Expand Up @@ -30,7 +33,7 @@ You should have received an IP address from the instructors, and two files with

- You can then `ssh` to the Amazon EC2 instance from the terminal, using simply

``` bash
```console
ssh -X -C aiidatutorial
```
Expand Down Expand Up @@ -66,13 +69,13 @@ Before starting

Once connected to your machine, type in the remote terminal

``` bash
```console
workon aiida
```

This will enable the virtual environment in which AiiDA is installed, allowing you to use AiiDA. Now type in the same bash

``` bash
```console
jupyter notebook --no-browser
```

Expand Down
4 changes: 2 additions & 2 deletions docs/pages/2018_PRACE_MaX/sections/querybuilder.md
Original file line number Diff line number Diff line change
Expand Up @@ -3,13 +3,13 @@ Queries in AiiDA: The Querybuilder

This part of the tutorial is provided only in interactive mode through a Jupyter notebook, which you will be able to run in your browser. To accomplish this we first need to start the Jupyter server, if you didn’t do it already at the very beginning of the tutorial. First make sure you are connected to the virtual machine with local forwarding enabled, as described in section [sec:sshintro]. Then, on the virtual machine, first make sure your are in the `aiida` virtual environment:

``` bash
```console
workon aiida
```

If the virtual environment is successfully loaded, your prompt should be prefixed with `(aiida)`. To finally launch the Jupyter server, execute the following commands:

``` bash
```console
cd ~/examples/aiida-demos/tutorial/
jupyter notebook --no-browser
```
Expand Down

0 comments on commit 331cd3f

Please sign in to comment.