semvec/pypi-packages huggingface dataset:
pymatgen-io-fleur 0.5.0
A pymatgen add-on for IO for the fleur code.
Requires Python: >=3.8
Keywords: pymatgen,fleur

|MIT license| |Github version| |PyPi version| |PyPi pyversion| |Build status| |Coverage status|

Pymatgen-io-fleur
=========================

This is a `pymatgen <https://pymatgen.org/>`_ IO addon for the LAPW code `fleur <https://www.flapw.de/>`_. This addon includes:

* Reading/writing input files for the the fleur input generator (inpgen)
* Reading of xml files used by the main fleur code

Installation
+++++++++++++

.. code-block::

  pip install pymatgen-io-fleur

Usage
++++++

This addon adds a class ``FleurInput`` to the pymatgen IO namespace, which can read in inpgen and inp.xml files and can write inpgen
input back out.

Initializing a ``FleurInput`` from a file

.. code-block:: python

  from pymatgen.io.fleur import FleurInput

  #From inpgen input (automatically detected by missing xml in extension)
  fleur_inp = FleurInput.from_file('inp_example')

  #From XML input
  fleur_inp = FleurInput.from_file('inp.xml')

  #The object has the following attributes
  print(fleur_inp.structure)        #Associated structure
  print(fleur_inp.title)            #Optional title string
  print(fleur_inp.lapw_parameters)  #dict with additional LAPW parameters

Writing inpgen input back out

.. code-block:: python

  fleur_inp.write_file('inp_new')

  #Adding some additional LAPW parameters
  fleur_inp.write_file('inp_new', parameters={'comp': {'kmax': 4.5}})

Usage from pymatgen ``Structure`` object

.. code-block:: python

  from pymatgen.core import Structure

  #inpgen input (filename starts with inp_)
  s = Structure.from_file('inp_test')

  #XML input (filename is of the form inp*.xml)
  s = Structure.from_file('inp.xml')

  s.to('inp_example',format='fleur-inpgen')


License
++++++++

*pymatgen-io-fleur* is distributed under the terms and conditions of the MIT license.

.. |MIT license| image:: https://img.shields.io/badge/license-MIT-blue.svg
   :target: LICENSE
.. |GitHub version| image:: https://img.shields.io/github/v/tag/JuDFTTeam/pymatgen-io-fleur?include_prereleases&label=GitHub%20version&logo=GitHub
   :target: https://github.com/JuDFTteam/pymatgen-io-fleur/releases
.. |PyPI version| image:: https://img.shields.io/pypi/v/pymatgen-io-fleur
   :target: https://pypi.org/project/pymatgen-io-fleur/
.. |PyPI pyversion| image:: https://img.shields.io/pypi/pyversions/pymatgen-io-fleur
   :target: https://pypi.org/project/pymatgen-io-fleur/
.. |Build status| image:: https://github.com/JuDFTteam/pymatgen-io-fleur/actions/workflows/testing.yml/badge.svg?branch=develop&event=push
   :target: https://github.com/JuDFTteam/pymatgen-io-fleur/actions
.. |Coverage Status| image:: https://codecov.io/gh/JuDFTteam/pymatgen-io-fleur/branch/develop/graph/badge.svg
   :target: https://codecov.io/gh/JuDFTteam/pymatgen-io-fleur
eurodb 1.0.1
A simple PYODBC/SQLAlchemy wrapper for connection handling
Requires Python: >=3.5

# EuroDB Lib

## TLDR
___
Generate/Fill your config file and use :

```python
import eurodb
import pandas as pd

db = connect()

data : pandas.Dataframe = db.query("select stuff from somewhere")
```

## Setup

Install it with :
> pip install eurodb

Input your credentials into a JSON file of your choosing with the given format (default name is `dblogs.json`) : 
```json
> dblogs.json
[{
    "name": "Thefirstone",
    "server": "tcp:somefunnyurl.windows.net",
    "username": "johndoofus",
    "database": "veryprivatedata",
    "password": "dontsharethisplz"
},
{
    "name": "thecorrectone",
    "server": "tcp:somefunnyurl.windows.net",
    "username": "notjohndoofus",
    "database": "notveryprivatedata",
    "password": "sharethisplz"
}]
```

> Yes it has to be an array even if it's only one entry.
___
Now you can connect to the DB and query stuff easily like so :

```python
import eurodb

db = eurodb.connect()

# If you don't have a file containing the login credentials ready, it will generate one for you
# else, you can specify it's name

db = eurodb.connect("connectionFile.json")

# By default, it will connect using the first entry but,
# If you have multiple connections in the file, you can specify which one to use.
# With the example file displayed above, you could use the second entry as so : 

db = eurodb.connect("dblogs.json", connName="thecorrectone")

# Carefull, the `.query` function will be using the last called/loaded entry :

data = db.query("SELECT * from stuff") #would be using "thecorrectone"
db.__loadConnection__("Thefirstone")
data = db.query("SELECT * from stuff") #would be using "Thefirstone"
```

The return variable will be a pandas dataframe with the desired output.

___

The underlying library used for the SQL results is [PYODBC](https://github.com/mkleehammer/pyodbc/wiki/Getting-started). 
Running a query will create a new Connection and a Cursor, returning both objects at once.


If you wish to collect your results manually, use the engine method : 

```python
import eurodb

db = connect("dblogs.json", connName="reader")

eg = db.getEngine()

with eg.begin() as conn:
    cursor = conn.execute(stx("SELECT * from res.allRegions where country = 'FR' and geocode like '10%'"))

    data = cursor.fetchall()
    print(data)
```

> conn.execute requires special formatting provided by the `sqlalchemy.text()` function, shortened to `stx()`
timezone-handler 0.0.1
This Package designed to handle the DST(Day Light Savings)
Requires Python: >=3.7

This Package designed to handle the DST(Day Light Savings).

There is many functions that can help us to handle DST(Day Light Savings) in our code.

1- adjust_dst(zonename, date):-
						This Function used to convert the date with DST(Day Light Savings) 
						like- 2023-04-22 04:30:00 is the DST(Day Light Savings) date and we 
						want to auto handle the date accourding to normal date. 						

2- is_dst(zonename, date):-
						This Function is used to check the given date is DST or NOT 
						if DST retun True Else False. 

3- timezone_appender(zonename, date):-
						This Function is used to append the timezone in the date 
						like 2023-04-22 04:30:00 IST. 

4- timezone_appender_with_time_format(zonename, date):-
						This Function is used to append the timezone in the date with beautify date
						like April 05 2023 at 04:30 IST. 
						
5- timezone_appender_with_time_format(zonename, date):-
						This Function is used to append the timezone in the date with beautify date
						like April 05 2023 at 04:30 IST. 
						

6- adjust_zoneoffset(zonename, date):-
					This Function used to get the zone offset like -5:30 for UTC

7- adjust_zoneoffset_dst(zonename, date):-
					This Function used to get the zone offset like -5:00 for UTC
					with DST handled like in DST is will return -4:00 so this function
					convert -4:00 to -5:00 if the time period in DST.
					

values format for the function is-

zonename example- 'America/New_York'
date example- any date like '2023-04-22 04:30:00' this format
nyanlang 1.7.0
A Cutest Programming Language
Requires Python: >=3.10,<4.0

<p align="center">
<img width="300" height="300" src="https://user-images.githubusercontent.com/61446372/228822639-f126e6a3-5bcb-4e04-80ed-1cb6325314bf.png" />
</p>

<h1 align="center">냥랭</h1>
<h2 align="center">세상에서 가장 귀여운 언어</h2>
<p align="center">
냥렝은 2023년에 Brainfxxk으로부터 파생되어, 세상에서 가장 귀여운 언어를 목표로 작업중에 있다냥.  
</p>
<h3 align="center"><a href="https://nyanlang.org">공식 웹사이트</a>에서 문서를 확인해보라냥.</h3>
dst-handler 0.0.1
This Package designed to handle the DST(Day Light Savings)
Requires Python: >=3.7

This Package designed to handle the DST(Day Light Savings).

There is many functions that can help us to handle DST(Day Light Savings) in our code.

1- adjust_dst(zonename, date):-
						This Function used to convert the date with DST(Day Light Savings) 
						like- 2023-04-22 04:30:00 is the DST(Day Light Savings) date and we 
						want to auto handle the date accourding to normal date. 						

2- is_dst(zonename, date):-
						This Function is used to check the given date is DST or NOT 
						if DST retun True Else False. 

3- timezone_appender(zonename, date):-
						This Function is used to append the timezone in the date 
						like 2023-04-22 04:30:00 IST. 

4- timezone_appender_with_time_format(zonename, date):-
						This Function is used to append the timezone in the date with beautify date
						like April 05 2023 at 04:30 IST. 
						
5- timezone_appender_with_time_format(zonename, date):-
						This Function is used to append the timezone in the date with beautify date
						like April 05 2023 at 04:30 IST. 
						

6- adjust_zoneoffset(zonename, date):-
					This Function used to get the zone offset like -5:30 for UTC

7- adjust_zoneoffset_dst(zonename, date):-
					This Function used to get the zone offset like -5:00 for UTC
					with DST handled like in DST is will return -4:00 so this function
					convert -4:00 to -5:00 if the time period in DST.
					

values format for the function is-

zonename example- 'America/New_York'
date example- any date like '2023-04-22 04:30:00' this format