qcengine 0.29.0-1 source package in Ubuntu
Changelog
qcengine (0.29.0-1) unstable; urgency=medium * New upstream release (Closes: #1058251). * debian/control (Build-Depends): Added python3-msgpack. -- Michael Banck <email address hidden> Fri, 29 Dec 2023 20:03:47 +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 | |
|---|---|---|---|---|
| Oracular | release | universe | misc | |
| Noble | release | universe | misc |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| qcengine_0.29.0-1.dsc | 2.1 KiB | cb384aa1d2f8c0565d066739809bd69a802f8a14c3aa496a58c4b510f5dcb59f |
| qcengine_0.29.0.orig.tar.xz | 260.4 KiB | 4bda130aa8cab07870cf01aa53764b1082421dcb9f9f879fa30e8eee59a0444c |
| qcengine_0.29.0-1.debian.tar.xz | 2.6 KiB | d5b47ec583ccfc969ef394a4a6d6f36a9312cd196b9c003ca310e9bcb82cadeb |
Available diffs
- diff from 0.26.0-1 to 0.29.0-1 (26.8 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.
