Merge pull request #35 from Kvieta1990/master

add conda recipe, closes #30

.travis.yml

@@ -1,15 +1,15 @@
 language: python
 python:
-  - '2.7'
-  - '3.5'
   - '3.6'
   - '3.7'
+  - '3.8'
+  - '3.9'
 install:
   - pip install -r requirements.txt
+  - pip install -r requirements-dev.txt
   - python setup.py install
-  - pip install tox-travis
 script:
-  - tox
+  - flake8 . --count 
 after_success:
   - codecov
 deploy:

conda.recipe/meta.yaml

@@ -0,0 +1,42 @@
+{% set data = load_setup_py() %}
+
+package:
+  name: pystog
+  version: "{{ data['version'] }}"
+
+source:
+  path: ..
+
+build:
+  noarch: python
+  string: py{{py}}
+  script: python setup.py install --single-version-externally-managed --record=record.txt
+
+requirements:
+  build:
+    - matplotlib
+    - numpy
+    - pandas
+  run:
+    - matplotlib
+    - numpy
+    - pandas
+
+test:
+  imports:
+    - pystog
+    - pystog.converter.Converter
+    - pystog.transformer.Transformer
+    - pystog.fourier_filter.FourierFilter
+
+about:
+  home: https://github.com/neutrons/pystog
+  license: GPL (version 3)
+  license_family: GPL3
+  license_file:
+  summary: "Transforms reciprocal and real space total scattering functions"
+
+extra:
+  recipe-maintainers:
+    - Kvieta1990
+    - marshallmcdonnell

requirements-dev.txt

@@ -0,0 +1,3 @@
+mock
+pytest
+flake8

requirements.txt

@@ -1,6 +1,3 @@
-matplotlib==2.2.3
-mock==2.0.0
-numpy==1.15.4
-pandas==0.23.4
-pytest==4.2.1
-six==1.11.0
+matplotlib==3.3.3
+numpy==1.19.4
+pandas>=1.1

setup.py

@@ -1,35 +1,66 @@
+import os
 import setuptools
 import versioneer
 
+# Constants
+THIS_DIR = os.path.dirname(__file__)
+
+# Package description
 with open("README.md", "r") as fh:
     long_description = fh.read()
 
+
+# Package requirements helper
+def read_requirements_from_file(filepath):
+    '''Read a list of requirements from the given file and split into a
+    list of strings. It is assumed that the file is a flat
+    list with one requirement per line.
+    :param filepath: Path to the file to read
+    :return: A list of strings containing the requirements
+    '''
+    with open(filepath, 'rU') as req_file:
+        return req_file.readlines()
+
+
+setup_args = dict(
+    install_requires=read_requirements_from_file(
+        os.path.join(
+            THIS_DIR,
+            'requirements.txt')),
+    tests_require=read_requirements_from_file(
+        os.path.join(
+            THIS_DIR,
+            'requirements-dev.txt')))
+
+authors = [
+    'Marshall McDonnell (marshallmcdonnell)',
+    'Mathieu Doucet (mdoucet)',
+    'Ross Whitfield (rosswhitfield)',
+    'Pete Peterson (peterfpeterson)',
+    'Yuanpeng Zhang (Kvieta1990)',
+]
+
 setuptools.setup(
     name="pystog",
     version=versioneer.get_version(),
     cmdclass=versioneer.get_cmdclass(),
-    author="Marshall McDonnell",
+    author=",".join(authors),
     author_email="mcdonnellmt@ornl.gov",
-    description="Transforms reciprocal and real space function",
+    url="https://github.com/neutrons/pystog",
+    description="Transforms reciprocal and real space total scattering functions",
     long_description_content_type="text/markdown",
-    url="https://github.com/marshallmcdonnell/pystog",
+    license="GPL License (version 3)",
     packages=setuptools.find_packages(exclude=["fortran"]),
     package_data={'': ['*.dat', '*.gr']},
+    setup_requires=[],
+    install_requires=setup_args['install_requires'],
+    tests_require=setup_args['install_requires'] + setup_args['tests_require'],
+    test_suite='tests',
     classifiers=[
         "Programming Language :: Python :: 3",
         "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
         "Operating System :: OS Independent",
     ],
-    setup_requires=[
-        "matplotlib",
-        "numpy",
-        "pandas"
-    ],
-    install_requires=[
-        "matplotlib",
-        "numpy",
-        "pandas"
-    ],
     entry_points={
         'console_scripts': [
             "pystog_cli = pystog.cli:pystog_cli",

tests/utils.py

@@ -16,8 +16,8 @@
 # General utility functions
 
 
-def multiplied_template(l):
-    return ('%f ' * len(l))[:-1] % tuple(l)
+def multiplied_template(num):
+    return ('%f ' * len(num))[:-1] % tuple(num)
 
 # Test data utility functions