BSD Portsscience/py-mrchem 1.1.4 DragonFly
MultiResolution Chemistry
- System
- DragonFly
- Repository
- DPorts
- Maintainer
- [email protected] (as in FreeBSD)
- License
- GPLv3
- Categories
- python, science
- Package size
- 106.7 KiB, 554.7 KiB installed
Description
MRChem is a numerical real-space code for molecular electronic structure calculations within the self-consistent field (SCF) approximations of quantum chemistry (Hartree-Fock and Density Functional Theory).
The code is being developed at the Hylleraas Centre for Quantum Molecular Sciences at UiT - The Arctic University of Norway.
In the other systems
| System | Port | Version |
|---|---|---|
| DragonFly | science/py-mrchem | 1.1.4 |
| FreeBSD | science/py-mrchem | 1.1.4 |
| GhostBSD | science/py-mrchem | 1.1.4 |
Install
Binary package:
pkg install py311-mrchemFrom DPorts:
cd /usr/dports/science/py-mrchem && make install cleanDependencies
Run dependencies 2
No port depends on this one.