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Made repo pip installable #19

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Made repo pip installable #19

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bb5ac77
made the repo pip installable
Aug 9, 2022
9defa02
modified setup.py to make it ppip install
Aug 9, 2022
9d3ff60
added back find packages import
Aug 9, 2022
154dcd3
removed pandas flavor dependency
Aug 9, 2022
960e886
working descriptastorus on pip
Aug 9, 2022
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3 changes: 3 additions & 0 deletions .gitignore
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Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
dist
descriptastorus.egg-info
**/__pycache__
2 changes: 0 additions & 2 deletions requirements.txt
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40 changes: 5 additions & 35 deletions setup.py
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Original file line number Diff line number Diff line change
Expand Up @@ -29,54 +29,24 @@
# (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
# OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
#
import sys
try:
import rdkit
except:
print("Descriptastorus requires rkdit to function, this is not installable by pip", file=sys.stderr)
print(" see https://rdkit.org for more information", file=sys.stderr)
sys.exit(1)

from setuptools import setup, find_packages
try:
from commands import getstatusoutput
except ImportError:
from subprocess import getstatusoutput

import logging

status, output = getstatusoutput("git describe --tags")

if not status:
try:
data = output.split("-")
if len(data) == 1:
VERSION = data[0]
elif data and data[0].lower() == "release":
VERSION = "%s.%s"%(data[1], data[2])
else:
VERSION = "%s.%s"%(data[0], data[1])
except:
raise RunTimeError("git tags must be in the form release-x.y.z or simply x.y.z")
else:
VERSION="2.2.0" # hardcode version
from setuptools import setup, find_packages

setup(name='descriptastorus',
version=VERSION,
version="2.4.2",
description='Descriptor storage and molecular file indexing',
author='Brian Kelley',
author_email='[email protected]',
url='https://bitbucket.org/novartisnibr/rdkit-descriptastorus/',
install_requires=['pandas_flavor'],
install_requires=['pandas', 'rdkit', 'scikit-learn', "pandas-flavor"],
test_suite='nose.collector',
tests_require=['nose', 'pandas_flavor'],
tests_require=['nose', 'pandas', "pandas-flavor"],
include_package_data=True,
entry_points={
'console_scripts': [
'storus = descriptastorus.cli.storus:main',
'storus-validate = descriptastorus.cli.validate:main',
]
},

packages = find_packages())

packages = find_packages())