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meta.yaml
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meta.yaml
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{% set version = "0.2.0" %}
package:
name: enspara
version: {{ version }}
source:
path: .
build:
noarch: python
number: 0
script: |
pip install --progress-bar off .[dev]
python setup.py build_ext --inplace
python -m pip install . -vv
requirements:
channels:
- defaults
- conda-forge
host:
- python
- pip
- nose
- numpy>=1.13
- mdtraj>=1.7
- cython>=0.24
- pytables>=3.2
- matplotlib>=1.5.1
- psutil>=5.2.2
- pandas
- scikit-learn>=0.21.0
run:
- python>=3.7
- numpy>=1.13
- mdtraj>=1.7
- cython>=0.24
- pytables>=3.2
- matplotlib>=1.5.1
- psutil>=5.2.2
- pandas
- scikit-learn>=0.21.0
test:
requires:
- python
- pip
- nose
- numpy>=1.13
- mdtraj>=1.7
- cython>=0.24
- pytables>=3.2
- matplotlib>=1.5.1
- psutil>=5.2.2
- pandas
- scikit-learn>=0.21.0
- enspara
imports:
- enspara
about:
home: https://github.com/bowman-lab/enspara
license: GPLv3
summary: 'MSMs at Scale'
description: |
Enspara is primarily a python library, but it also contains a few applications for very common Markov-state model related tasks.
MSM estimation and manipulation
Turn-key applications for clustering and analysis
Transition path theory
Information theory
Ragged ndarrays
dev_url: https://github.com/bowman-lab/enspara
doc_url: https://enspara.readthedocs.io/en/latest/
doc_source_url: https://github.com/bowman-lab/enspara/tree/master/docs