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make python setup.py test work #39

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Mar 4, 2019
Merged

make python setup.py test work #39

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033d45a
make `python setup.py test` work
loriab Mar 4, 2019
633a8a6
conditional install
loriab Mar 4, 2019
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3 changes: 3 additions & 0 deletions setup.cfg
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Original file line number Diff line number Diff line change
Expand Up @@ -27,3 +27,6 @@ style = pep440
versionfile_source = qcelemental/_version.py
versionfile_build = qcelemental/_version.py
tag_prefix = ''

[aliases]
test=pytest
6 changes: 6 additions & 0 deletions setup.py
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@@ -1,10 +1,15 @@
import os
import sys
import setuptools
import versioneer

short_description = "QCElemental is a resource module for quantum chemistry containing physical"
"constants and periodic table data from NIST and molecule handlers."

# from https://github.com/pytest-dev/pytest-runner#conditional-requirement
needs_pytest = {'pytest', 'test', 'ptr'}.intersection(sys.argv)
pytest_runner = ['pytest-runner'] if needs_pytest else []

try:
with open("README.md", "r") as handle:
long_description = handle.read()
Expand All @@ -24,6 +29,7 @@
packages=setuptools.find_packages(exclude=['*checkup*']),
include_package_data=True,
package_data={'': [os.path.join('qcelemental', 'data', '*.json')]},
setup_requires=[] + pytest_runner,
install_requires=[
'numpy',
'pint',
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