Skip to content

Commit

Permalink
Merge remote-tracking branch 'upstream/develop' into bulk-methods
Browse files Browse the repository at this point in the history
  • Loading branch information
@chrisjsewell
chrisjsewell committed Oct 15, 2021
2 parents 0f80584 + 5acf437 commit c76d49c
Show file tree
Hide file tree
Showing 3 changed files with 112 additions and 91 deletions.
9 changes: 6 additions & 3 deletions aiida/common/lang.py
View file
Original file line number Diff line number Diff line change
Expand Up @@ -11,6 +11,7 @@
import functools
import inspect
import keyword
from typing import Any, Callable, Generic, TypeVar


def isidentifier(identifier):
Expand Down Expand Up @@ -75,8 +76,10 @@ def wrapped_fn(self, *args, **kwargs): # pylint: disable=missing-docstring

override = override_decorator(check=False) # pylint: disable=invalid-name

ReturnType = TypeVar('ReturnType')

class classproperty: # pylint: disable=invalid-name

class classproperty(Generic[ReturnType]): # pylint: disable=invalid-name
"""
A class that, when used as a decorator, works as if the
two decorators @property and @classmethod where applied together
Expand All @@ -85,8 +88,8 @@ class classproperty: # pylint: disable=invalid-name
instance as its first argument).
"""

def __init__(self, getter):
def __init__(self, getter: Callable[[Any], ReturnType]) -> None:
self.getter = getter

def __get__(self, instance, owner):
def __get__(self, instance: Any, owner: Any) -> ReturnType:
return self.getter(owner)
193 changes: 105 additions & 88 deletions docs/source/intro/install_system.rst
View file
Original file line number Diff line number Diff line change
Expand Up @@ -23,25 +23,23 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

Open a terminal and execute:

.. code-block:: console
.. code-block:: console
$ sudo apt install \
git python3-dev python3-pip \
postgresql postgresql-server-dev-all postgresql-client rabbitmq-server
$ sudo apt install git python3-dev python3-pip postgresql postgresql-server-dev-all postgresql-client rabbitmq-server
.. tabbed:: MacOS X (Homebrew)

The recommended installation method for Mac OS X is to use `Homebrew <https://brew.sh>`__.
The recommended installation method for Mac OS X is to use `Homebrew <https://brew.sh>`__.

#. Follow `this guide <https://docs.brew.sh/Installation>`__ to install Homebrew on your system if not installed yet.
#. Follow `this guide <https://docs.brew.sh/Installation>`__ to install Homebrew on your system if not installed yet.

#. Open a terminal and execute:
#. Open a terminal and execute:

.. code-block:: console
.. code-block:: console
$ brew install postgresql rabbitmq git python
$ brew services start postgresql
$ brew services start rabbitmq
$ brew install postgresql rabbitmq git python
$ brew services start postgresql
$ brew services start rabbitmq
.. tabbed:: Windows Subsystem for Linux

Expand All @@ -55,77 +53,85 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
$ sudo apt install rabbitmq-server
$ sudo service rabbitmq-server start
$ sudo apt install rabbitmq-server
then start the ``rabbitmq`` server:

.. code-block:: console
$ sudo service rabbitmq-server start
#. Install Python and PostgreSQL:

.. code-block:: console
$ sudo apt install \
postgresql postgresql-server-dev-all postgresql-client \
git python3-dev python-pip
$ sudo service postgresql start
$ sudo apt install postgresql postgresql-server-dev-all postgresql-client git python3-dev python-pip
then start the PostgreSQL server:

.. code-block:: console
$ sudo service postgresql start
.. dropdown:: How to setup WSL to automatically start services after system boot.

Create a file ``start_aiida_services.sh`` containing the following lines:
Create a file ``start_aiida_services.sh`` containing the following lines:

.. code-block:: console
.. code-block:: console
service postgresql start
service rabbitmq-server start # Only for WSL 2!
$ service postgresql start
$ service rabbitmq-server start # Only for WSL 2!
and store it in your preferred location, e.g., the home directory.
Then make the file executeable, and editable only by root users with:
and store it in your preferred location, e.g., the home directory.
Then make the file executable, and editable only by root users with:

.. code-block:: console
.. code-block:: console
$ chmod a+x,go-w /path/to/start_aiida_services.sh
$ sudo chown root:root /path/to/start_aiida_services.sh
$ chmod a+x,go-w /path/to/start_aiida_services.sh
$ sudo chown root:root /path/to/start_aiida_services.sh
Next, run
Next, run

.. code-block:: console
.. code-block:: console
$ sudo visudo
$ sudo visudo
and add the line
and add the line

.. code-block:: sh
.. code-block:: sh
<username> ALL=(root) NOPASSWD: /path/to/start_aiida_services.sh
<username> ALL=(root) NOPASSWD: /path/to/start_aiida_services.sh
replacing ``<username>`` with your Ubuntu username.
This will allow you to run *only* this specific ``.sh`` file with ``root`` access (without password), without lowering security on the rest of your system.
replacing ``<username>`` with your Ubuntu username.
This will allow you to run *only* this specific ``.sh`` file with ``root`` access (without password), without lowering security on the rest of your system.

Now you can use the Windows Task Scheduler to automatically execute this file on startup:
Now you can use the Windows Task Scheduler to automatically execute this file on startup:

#. Open Task Scheduler.
#. Open Task Scheduler.

#. In the "Actions" menu, click "Create Task".
#. In the "Actions" menu, click "Create Task".

#. In "General/Security options", select "Run whether user is logged on or not".
#. In "General/Security options", select "Run whether user is logged on or not".

#. In the "Triggers" tab, click "New...".
#. In the "Triggers" tab, click "New...".

#. In the "Begin the task:" dropdown, select "At startup".
#. In the "Begin the task:" dropdown, select "At startup".

#. Click "OK" to confirm.
#. Click "OK" to confirm.

#. In the "Actions" tab, click "New...".
#. In the "Actions" tab, click "New...".

#. In the "Action" dropdown, select "Start a program".
#. In the "Action" dropdown, select "Start a program".

#. In the "Program/script" text field, add ``C:\Windows\System32\bash.exe``.
#. In the "Program/script" text field, add ``C:\Windows\System32\bash.exe``.

#. In the "Add arguments (optional)" text field, add ``-c "sudo /path/to/start_aiida_services.sh"``.
#. In the "Add arguments (optional)" text field, add ``-c "sudo /path/to/start_aiida_services.sh"``.

#. Click "OK" to confirm.
#. Click "OK" to confirm.

#. Click "OK" to confirm the task.
#. Click "OK" to confirm the task.

You can tweak other details of this task to fit your needs.
You can tweak other details of this task to fit your needs.

.. tabbed:: Other

Expand All @@ -134,7 +140,7 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. tip::

Alternatively use the :ref:`pure conda installation method <intro:get_started:conda-install>`.
Alternatively use the :ref:`pure conda installation method <intro:get_started:conda-install>`.

---

Expand All @@ -148,14 +154,25 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
$ python -m venv ~/envs/aiida
$ source ~/envs/aiida/bin/activate
(aiida) $ pip install aiida-core
$ python -m venv ~/envs/aiida
$ source ~/envs/aiida/bin/activate
(aiida) $ pip install aiida-core
.. important::

Make sure the ``python`` executable is for a Python version that is supported by AiiDA.
You can see the version using:

.. code-block:: console
$ python --version
You can find the supported Python versions for the latest version of AiiDA `on the PyPI page <https://pypi.org/project/aiida-core/>`__.

.. tip::

See the `venv documentation <https://docs.python.org/3/library/venv.html>`__ if the activation command fails.
The exact command for activating a virtual environment differs slightly based on the used shell.
See the `venv documentation <https://docs.python.org/3/library/venv.html>`__ if the activation command fails.
The exact command for activating a virtual environment differs slightly based on the used shell.

.. dropdown:: :fa:`plus-circle` Installation extras

Expand All @@ -173,7 +190,7 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
(aiida) $ pip install aiida-core[atomic_tools,docs]
(aiida) $ pip install aiida-core[atomic_tools,docs]
.. dropdown:: :fa:`wrench` Kerberos on Ubuntu

Expand All @@ -194,8 +211,8 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
$ conda create -n aiida -c conda-forge aiida-core
$ conda activate aiida
$ conda create -yn aiida -c conda-forge aiida-core
$ conda activate aiida
.. tabbed:: From source

Expand All @@ -205,11 +222,11 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
$ git clone https://github.com/aiidateam/aiida-core.git
$ cd aiida-core/
$ python -m pip venv ~/envs/aiida
$ source ~/envs/aiida/bin/activate
(aiida) $ pip install .
$ git clone https://github.com/aiidateam/aiida-core.git
$ cd aiida-core/
$ python -m venv ~/envs/aiida
$ source ~/envs/aiida/bin/activate
(aiida) $ pip install .
---

Expand All @@ -219,19 +236,19 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
(aiida) $ verdi quicksetup
Info: enter "?" for help
Info: enter "!" to ignore the default and set no value
Profile name: me
Email Address (for sharing data): me@user.com
First name: my
Last name: name
Institution: where-i-work
(aiida) $ verdi quicksetup
Info: enter "?" for help
Info: enter "!" to ignore the default and set no value
Profile name: me
Email Address (for sharing data): me@user.com
First name: my
Last name: name
Institution: where-i-work
.. admonition:: Is AiiDA unable to auto-detect the PostgreSQL setup?
:class: attention title-icon-troubleshoot
:class: attention title-icon-troubleshoot

If you get an error saying that AiiDA has trouble autodetecting the PostgreSQL setup, you will need to do the manual setup explained in the :ref:`troubleshooting section<intro:troubleshooting:installation:postgresql-autodetect-issues>`.
If you get an error saying that AiiDA has trouble autodetecting the PostgreSQL setup, you will need to do the manual setup explained in the :ref:`troubleshooting section<intro:troubleshooting:installation:postgresql-autodetect-issues>`.

---

Expand All @@ -241,15 +258,15 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
(aiida) $ verdi daemon start 2
(aiida) $ verdi daemon start 2
.. important::

The verdi daemon(s) must be restarted after a system reboot.
The verdi daemon(s) must be restarted after a system reboot.

.. tip::

Do not start more daemons then there are physical processors on your system.
Do not start more daemons then there are physical processors on your system.

---

Expand All @@ -259,22 +276,22 @@ This is the *recommended* installation method to setup AiiDA on a personal lapto

.. code-block:: console
(aiida) $ verdi status
✓ config dir: /home/ubuntu/.aiida
✓ profile: On profile me
✓ repository: /home/ubuntu/.aiida/repository/me
✓ postgres: Connected as aiida_qs_ubuntu_c6a4f69d255fbe9cdb7385dcdcf3c050@localhost:5432
✓ rabbitmq: Connected as amqp://127.0.0.1?heartbeat=600
✓ daemon: Daemon is running as PID 16430 since 2020-04-29 12:17:31
(aiida) $ verdi status
✓ config dir: /home/ubuntu/.aiida
✓ profile: On profile me
✓ repository: /home/ubuntu/.aiida/repository/me
✓ postgres: Connected as aiida_qs_ubuntu_c6a4f69d255fbe9cdb7385dcdcf3c050@localhost:5432
✓ rabbitmq: Connected as amqp://127.0.0.1?heartbeat=600
✓ daemon: Daemon is running as PID 16430 since 2020-04-29 12:17:31
At this point you should now have a working AiiDA environment, from which you can add and retrieve data.

.. admonition:: Missing a checkmark or ecountered some other issue?
:class: attention title-icon-troubleshoot
.. admonition:: Missing a checkmark or encountered some other issue?
:class: attention title-icon-troubleshoot

:ref:`See the troubleshooting section <intro:troubleshooting>`.
:ref:`See the troubleshooting section <intro:troubleshooting>`.

.. link-button:: intro:get_started:next
:type: ref
:text: What's next?
:classes: btn-outline-primary btn-block font-weight-bold
:type: ref
:text: What's next?
:classes: btn-outline-primary btn-block font-weight-bold
1 change: 1 addition & 0 deletions docs/source/nitpick-exceptions
View file
Original file line number Diff line number Diff line change
Expand Up @@ -25,6 +25,7 @@ py:class EntityType
py:class EntityTypes
py:class ModelType
py:class TransactionType
py:class ReturnType
py:class function
py:class IO
py:class traceback
Expand Down

0 comments on commit c76d49c

Please sign in to comment.