Base Package:
mingw-w64-python-optking

Description:
A Python version of the PSI4 geometry optimization program by R.A. King (mingw-w64)
Group(s):
-
Repo:
clangarm64
Homepage:
https://github.com/psi-rking/optking
License(s):
BSD-3-Clause
Version:
0.4.2-1
External:
Anitya
python-optking
AUR
0.3.0
Repology
python-optking

Installation:
pacman -S mingw-w64-clang-aarch64-python-optking
File:
https://mirror.msys2.org/mingw/clangarm64/mingw-w64-clang-aarch64-python-optking-0.4.2-1-any.pkg.tar.zst
SHA256:
131a24571d819f1bf5ac1a5aafc732fd3fc9c903246eefdc3b0d15006cc56e45
Last Packager:
CI (msys2/msys2-autobuild/cd5d4ff2/21090669364)
Build Date:
2026-01-17 07:41:28
Package Size:
0.41 MB
Installed Size:
2.50 MB
Source-Only Tarball:
https://mirror.msys2.org/mingw/sources/mingw-w64-python-optking-0.4.2-1.src.tar.zst

Dependencies:
Optional Dependencies:
-
Build Dependencies:
Check Dependencies:
-
Provides:
-
Conflicts:
-
Replaces:
-

Provided By:
-
Required By:
-

Files:
/clangarm64/lib/python3.13/site-packages/optking-0.4.2.dist-info/METADATA
/clangarm64/lib/python3.13/site-packages/optking-0.4.2.dist-info/RECORD
/clangarm64/lib/python3.13/site-packages/optking-0.4.2.dist-info/WHEEL
/clangarm64/lib/python3.13/site-packages/optking-0.4.2.dist-info/licenses/LICENSE
/clangarm64/lib/python3.13/site-packages/optking-0.4.2.dist-info/top_level.txt
/clangarm64/lib/python3.13/site-packages/optking/IRCdata.py
/clangarm64/lib/python3.13/site-packages/optking/IRCfollowing.py
/clangarm64/lib/python3.13/site-packages/optking/__init__.py
/clangarm64/lib/python3.13/site-packages/optking/__pycache__/IRCdata.cpython-313.opt-1.pyc
/clangarm64/lib/python3.13/site-packages/optking/__pycache__/IRCdata.cpython-313.pyc
/clangarm64/lib/python3.13/site-packages/optking/__pycache__/IRCfollowing.cpython-313.opt-1.pyc
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/clangarm64/lib/python3.13/site-packages/optking/cart.py
/clangarm64/lib/python3.13/site-packages/optking/caseInsensitiveDict.py
/clangarm64/lib/python3.13/site-packages/optking/compute_wrappers.py
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/clangarm64/lib/python3.13/site-packages/optking/dimerfrag.py
/clangarm64/lib/python3.13/site-packages/optking/displace.py
/clangarm64/lib/python3.13/site-packages/optking/exceptions.py
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Last Update: 2026-01-21 08:07:34 [Request update]