semvec/pypi-packages huggingface dataset:
throw-catch 0.2.0
RabbitMQ throw & catch messages
Requires Python: >=3.8

# RabbitMQ throw & catch messages

## Install
To install run:
```no-highlight
pip install throw-catch
```

Add the following line at the top of your *.py file:
```python
from throw_catch import throw, catch 
```
  
Now you can send messages to RabbitMQ queue `amq.direct`.`throw_catch` (by default):
```python
import os
AMQP_URI = os.getenv("AMQP_URI")

payload = {"hello": "world"}  
throw(payload=payload, uri=AMQP_URI) 
throw(payload=payload, uri=AMQP_URI, routing_key="some_routing_key") # custom routing key (direct)
for _ in range(10):
    throw(payload=payload, tag="some_tag", uri=AMQP_URI, routing_key="some_routing_key") # custom tag && custom routing key
``` 
   
Catch messages from RabbitMQ:
```python
import os
AMQP_URI = os.getenv("AMQP_URI")

catch(uri=AMQP_URI) # {"hello": "world"} 
catch(uri=AMQP_URI, queue="some_routing_key") # catch 10 messages from `some_routing_key` queue (direct) 
catch(tag="some_tag", uri=AMQP_URI, queue="some_routing_key", count=10) # catch 10 messages from `some_routing_key` queue (direct) with tag `some_tag`
```
  
### Test 
```sh
tox
```
pynof 1.4
Package for performing Piris Natural Orbital Functionals (PNOF)
Requires Python: >=3.8

# PyNOF

| **Citation** | [![DOI](https://zenodo.org/badge/346216950.svg)](https://zenodo.org/badge/latestdoi/346216950) |
| ------------ | ---------------------------------------------------------------------------------------------- |

Formally read as Python-Natural-Orbital-Functionals, PyNOF is based on the original [DoNOF](https://github.com/DoNOF/DoNOFsw/) software written in Fortran by Prof. Mario Piris, but it takes advantage of the Python capabilities such as optimizers, vectorization via numpy and gpu compatibility via cupy.

# <img src="https://github.com/felipelewyee/PyNOF/blob/master/PyNOF.png" height=150>

# Installation

We recommend to perform the installation inside an [Anaconda](https://www.anaconda.com/) enviroment:
~~~
conda create -y -n pynof
conda activate pynof
~~~

PyNOF uses [Psi4](https://psicode.org/installs/latest) for integrals, so it is necessary to install it first:
~~~
conda install -y psi4 -c conda-forge/label/libint_dev -c conda-forge
~~~
then, you can simply install PyNOF using pip
~~~
pip install pynof
~~~

[Optional] Integrals transformations can benefit from a GPU. If available, just install [cupy](https://cupy.dev/)
~~~
conda install -y -c conda-forge cupy
~~~

# Example

A pynof input has the following parts:
- Import pynof
- A declaration of the molecule geometry
- A parameter object
- The calculation instruction

~~~
import pynof

mol = pynof.molecule("""
0 1
  O  0.0000   0.000   0.116
  H  0.0000   0.749  -0.453
  H  0.0000  -0.749  -0.453
""")

p = pynof.param(mol,"cc-pvdz")
p.autozeros()

p.ipnof=8

p.RI = True
#p.gpu = True

E,C,gamma,fmiug0 = pynof.compute_energy(mol,p,hfidr=True)
~~~

If everything worked, the job may be executed by
~~~
python -u test_energy.py
~~~

*Note.* The first run may be slightly slow due to jit precompilation.

# For development

First, clone PyNOF from github and change to the project directory
~~~
git clone https://github.com/felipelewyee/PyNOF.git
cd PyNOF
~~~

In the PyNOF folder, execute the following code
~~~
conda create -y -n pynof
conda activate pynof
conda install -y psi4 -c conda-forge/label/libint_dev -c conda-forge
conda install -y -c conda-forge cupy # Optional
pip install build
python -m build && cd dist && pip install pynof*.whl && cd ..
~~~

# Authors

The PyNOF code has been built by Juan Felipe Huan Lew Yee, Lizeth Franco Nolasco and Iván Alejandro Rivera under supervision of Jorge Martín del Campo Ramírez and Mario Piris.

<meta name="google-site-verification" content="c8fIbSDge0oLPu2RxGxupxP2Gq0GlFawiFoX9M4QCGw" />
emonk 1.2.0
Command-line journal

# emonk

A journal app written in [Python]. Uses the [cryptography] package for security.

## How to install it

	pip3 install emonk

## How to use it

	emonk <words or tags to search for>

### Command line options

    -h --help               Show help.
    -e --edit               Edit entries.
    --from-date FROM_DATE   Get entries from this date.
    -n N                    Get last N entries.
    -t --tags               List tags.
    --to-date TO_DATE       Get entries to this date.
    -v --version            Show version number.

### Write a journal entry

    emonk

### Logical AND search

    emonk apples oranges

### Logical OR search
Enclose the OR with quotes.

    emonk "apples|oranges"

### Edit entries containing "apples"

    emonk -e apples

### Import journal entries from text file

    emonk < lastweek.txt

### Export journal entries to text file

    emonk > exported.txt

## Custom datetime format
Emonk stores journal entries using the ISO 8601 datetime format: yyyy-mm-dd hh-mm. To use another [datetime format] add it to the .emonk config file in your home directory:

    date_format: "%m/%d/%y %I:%M %p"

## Links

- [Project page](https://seagrape.us/emonk.html)
- [Changelog](https://seagrape.us/emonk-history.html)

## Contact me

Send bug reports and patches to <craig@seagrape.us>.

[Python]: https://www.python.org
[cryptography]: https://github.com/pyca/cryptography
[datetime format]: https://docs.python.org/3/library/datetime.html#format-codes