Commit 928262f0 authored by Heller, William T.'s avatar Heller, William T.
Browse files

Merge branch 'create_bin' into 'master' 

Create executable script

Closes #13

See merge request !8
parents f48a510e b0939540

.gitignore

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*.pyd

*.pyc

/build/

/dist/

README.md

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sas_temper 

**sas_temper**



SAS data analysis package that uses simulated annealing to fit data using the sasmodels package.

The program automatically performs multiple runs of the fitting to check the reproducibility of the result.
@@ -7,13 +7,7 @@ The program is written in python3. 


The code began as sa_fitter, which was developed as part of ORNL LDRD project 8235.



pip install --upgrade git+https://code.ornl.gov/wt3/sas_temper.git



or, if you want a specific branch



pip install --upgrade git+https://code.ornl.gov/wt3/sas_temper.git@<branch_name>





**System Requirements**

If your system does not presently have python 3 and the required libraries,

you can create a specific environment using conda and the sas_temper_env.yaml file here.
@@ -27,3 +21,17 @@ To activate the environment so you can run sas_temper, type the following. 
conda activate sas_temper_env

```



**Installation**

pip install --upgrade git+https://code.ornl.gov/wt3/sas_temper.git



or, if you want a specific branch



pip install --upgrade git+https://code.ornl.gov/wt3/sas_temper.git@<branch_name>



**Usage**

An example is available in the `tests` directory:



```

cd tests

sas_temper test_sphere_nz.yaml

```

sas_temper/__main__.py→scripts/sas_temper

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#!/usr/bin/env python

r"""

sas_temper

setup.py

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@@ -24,6 +24,7 @@ setup( 
	version='0.1',

	description='SAS data analysis using simulated annealing and reproducibility characterization.  Uses sasmodels package',

	packages=['sas_temper'],

    scripts=['scripts/sas_temper'],

	instal_requires=required_packages(),

	dependency_link=external_dependency_links(),

	package_data={'': [REQUIREMENTS_DOT_TXT]}