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tsoc
openmm
Commits
76be194c
Unverified
Commit
76be194c
authored
Sep 27, 2023
by
Peter Eastman
Committed by
GitHub
Sep 27, 2023
Browse files
Replace distutils with setuptools (#4245)
* Replace distutils with setuptools * Replace more uses of distutils
parent
b247e7d8
Changes
2
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2 changed files
with
5 additions
and
5 deletions
+5
-5
wrappers/python/openmm/app/gromacstopfile.py
wrappers/python/openmm/app/gromacstopfile.py
+3
-3
wrappers/python/setup.py
wrappers/python/setup.py
+2
-2
No files found.
wrappers/python/openmm/app/gromacstopfile.py
View file @
76be194c
...
...
@@ -42,7 +42,7 @@ import openmm as mm
import
math
import
os
import
re
import
distutils.spawn
import
shutil
from
collections
import
OrderedDict
,
defaultdict
from
itertools
import
combinations
,
combinations_with_replacement
from
copy
import
deepcopy
...
...
@@ -1327,11 +1327,11 @@ def _defaultGromacsIncludeDir():
if
'GMXBIN'
in
os
.
environ
:
return
os
.
path
.
abspath
(
os
.
path
.
join
(
os
.
environ
[
'GMXBIN'
],
'..'
,
'share'
,
'gromacs'
,
'top'
))
pdb2gmx_path
=
distutils
.
spawn
.
find_executable
(
'pdb2gmx'
)
pdb2gmx_path
=
shutil
.
which
(
'pdb2gmx'
)
if
pdb2gmx_path
is
not
None
:
return
os
.
path
.
abspath
(
os
.
path
.
join
(
os
.
path
.
dirname
(
pdb2gmx_path
),
'..'
,
'share'
,
'gromacs'
,
'top'
))
else
:
gmx_path
=
distutils
.
spawn
.
find_executable
(
'gmx'
)
gmx_path
=
shutil
.
which
(
'gmx'
)
if
gmx_path
is
not
None
:
return
os
.
path
.
abspath
(
os
.
path
.
join
(
os
.
path
.
dirname
(
gmx_path
),
'..'
,
'share'
,
'gromacs'
,
'top'
))
...
...
wrappers/python/setup.py
View file @
76be194c
...
...
@@ -7,7 +7,7 @@ import os
import
sys
import
platform
import
numpy
from
distutils.core
import
setup
from
setuptools
import
setup
from
Cython.Build
import
cythonize
MAJOR_VERSION_NUM
=
'@OPENMM_MAJOR_VERSION@'
...
...
@@ -125,7 +125,7 @@ if not release:
def
buildKeywordDictionary
(
major_version_num
=
MAJOR_VERSION_NUM
,
minor_version_num
=
MINOR_VERSION_NUM
,
build_info
=
BUILD_INFO
):
from
distutils.core
import
Extension
from
setuptools
import
Extension
setupKeywords
=
{}
setupKeywords
[
"name"
]
=
"OpenMM"
setupKeywords
[
"version"
]
=
"%s.%s.%s"
%
(
major_version_num
,
...
...
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