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Merge pull request #2031 from jamesmkrieger/install_hpb
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Clean up hpb install and copying to install via conda-forge
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jamesmkrieger authored Jan 30, 2025
2 parents f76b421 + 48e6296 commit 577198f
Showing 1 changed file with 7 additions and 20 deletions.
27 changes: 7 additions & 20 deletions setup.py
Original file line number Diff line number Diff line change
@@ -1,13 +1,12 @@
import os
import sys
import platform
from os import sep as dirsep
from os.path import isfile, join
import platform

from setuptools import setup
from setuptools import Extension

import shutil
import sys

if sys.version_info[:2] < (2, 7):
sys.stderr.write('Python 2.6 and older is not supported\n')
Expand Down Expand Up @@ -102,10 +101,11 @@
sys.version_info[1]))
proteinsDir = join('prody', 'proteins')

try:
shutil.copy(hpbSoDir + "/hpb.so", proteinsDir)
except FileNotFoundError:
pass
if not os.path.exists(join(proteinsDir, 'hpb.so')):
try:
shutil.copy(hpbSoDir + "/hpb.so", proteinsDir)
except FileNotFoundError:
pass

EXTENSIONS = [
Extension('prody.dynamics.rtbtools',
Expand Down Expand Up @@ -136,13 +136,6 @@
os.environ['CXX'] = 'clang++'
#extra_compile_args.append('-stdlib=libc++')


# extra compilation of reg_tet.f (hpb):
# import subprocess
# subprocess.call(['gfortran', '-O3', '-fPIC', '-c',
# join('prody', 'proteins', 'hpbmodule', 'reg_tet.f'),
# '-o', join('prody', 'proteins', 'hpbmodule', 'reg_tet.o')])

CONTRIBUTED = [
Extension('prody.kdtree._CKDTree',
[join('prody', 'kdtree', 'KDTree.c'),
Expand All @@ -151,12 +144,6 @@
Extension('prody.proteins.ccealign',
[join('prody', 'proteins', 'ccealign', 'ccealignmodule.cpp')],
include_dirs=[tntDir], language='c++'),
#Extension('prody.proteins.hpb',
# [join('prody', 'proteins', 'hpbmodule', 'reg_tet.c')],
# include_dirs=[hpbDir], language='c++',
# extra_compile_args=['-O3', '-fPIC'],
# extra_objects=[join(hpbDir, 'libf2c', 'libf2c.a')]
# )
]

for ext in CONTRIBUTED:
Expand Down

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