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Package Details: openbabel-git 3.0.90.r5774.686ee22f2-1
| Git Clone URL: | https://aur.archlinux.org/openbabel-git.git (read-only, click to copy) |
|---|---|
| Package Base: | openbabel-git |
| Description: | A library designed to interconvert between many file formats used in molecular modeling and computational chemistry (git version, builds Python bindings) |
| Upstream URL: | https://github.com/openbabel/openbabel |
| Licenses: | GPL |
| Conflicts: | openbabel, python-openbabel |
| Provides: | openbabel, python-openbabel |
| Submitter: | berquist |
| Maintainer: | berquist |
| Last Packager: | berquist |
| Votes: | 2 |
| Popularity: | 0.000000 |
| First Submitted: | 2015-04-30 03:22 (UTC) |
| Last Updated: | 2020-03-22 18:02 (UTC) |
Dependencies (11)
- maeparser
- wxgtk3 (wxwidgets-gtk3)
- boost (boost-git) (make)
- cmake (cmake-git) (make)
- eigen (eigen-git) (make)
- git (git-vfs, git-run-command-patch-git, git-git, git-fc) (make)
- maeparser (make)
- python (python36, python32, python37, python39, python38, python310, python312) (make)
- rapidjson (rapidjson-git) (make)
- swig (swig-git) (make)
- wxgtk3 (wxwidgets-gtk3) (make)
Required by (19)
- avogadroapp (requires openbabel) (optional)
- bist-svn (requires openbabel)
- ghemical (requires openbabel)
- ghemical-mpqc (requires openbabel)
- gnome-chemistry-utils (requires openbabel)
- kalzium-git (requires openbabel)
- libghemical (requires openbabel) (make)
- molden (requires openbabel) (optional)
- molsketch (requires openbabel)
- python-cclib (requires python-openbabel) (optional)
- python-cclib-git (requires python-openbabel) (optional)
- python3-cactus (requires python-openbabel)
- r-chemmineob (requires openbabel)
- r-rmassbank (requires openbabel)
- supercell-git (requires openbabel)
- vmd (requires openbabel) (optional)
- vmd-src (requires openbabel) (optional)
- xac (requires openbabel) (optional)
- xdrawchem (requires openbabel)
Latest Comments
MarsSeed commented on 2023-06-13 16:29 (UTC)
Broken by Arch packaging change.
Needs to use
wx-config, notwx-config-gtk3, after wxgtk3 dependency got renamed in Arch repo to wxwidgets-gtk3.hmcezar commented on 2020-01-16 21:37 (UTC)
The package does not install due to errors in the Python checkings, resulting in: ***Failed Error regular expression found in output. Regex=[FAIL]
The following tests FAILED: 190 - pytest_roundtrip (Failed) 192 - pybindtest_bindings (Failed) 193 - pybindtest__pybel (Failed) 194 - pybindtest_example (Failed) 195 - pybindtest_cdjsonformat (Failed) 196 - pybindtest_pcjsonformat (Failed) Errors while running CTest