qcengine 0.26.0-1 source package in Ubuntu
Changelog
qcengine (0.26.0-1) unstable; urgency=medium
* New upstream release.
[ Debian Janitor ]
* Remove constraints unnecessary since buster (oldstable):
+ Build-Depends: Drop versioned constraint on python3-all.
-- Michael Banck <email address hidden> Sat, 14 Jan 2023 11:24:07 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- all
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Mantic | release | universe | misc | |
| Lunar | release | universe | misc |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| qcengine_0.26.0-1.dsc | 2.1 KiB | 0f7c963329c17df83c23fa62fec670eb25b3dbda160569ea3474fb5c080f948b |
| qcengine_0.26.0.orig.tar.xz | 256.1 KiB | a4b7edea95229bde6c838863439d15145ec65fbaaa73d78de75d1ba858cfe15b |
| qcengine_0.26.0-1.debian.tar.xz | 2.5 KiB | ff24caa586619884074c727791a7dfdefb1bf5328870082e019d8f74c56ecdfe |
Available diffs
- diff from 0.23.0-1 to 0.26.0-1 (92.3 KiB)
No changes file available.
Binary packages built by this source
- python3-qcengine: Quantum chemistry program executor and IO standardizer
QCEngine provides a wrapper to ingest and produce QCSchema for a variety of
quantum chemistry programs, most notably Psi4, NWchem, RDKit and Mopac.
.
Other supported (possibly proprietary) packages include DFTD3, MOLPRO, MPD2,
OpenMM, Q-Chem, Turbomole, xtb, CFour, GAMESS, Terachem and TorchANI.
