Port details on branch 2022Q3 |
- q Molecular Dynamics (MD) tools
- 6.0_1 science =0 6.0_1Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2022-05-24 01:57:06
- Last Update: 2023-04-23 09:09:58
- Commit Hash: 8d3e020
- License: GPLv2+
- WWW:
- https://github.com/qusers/Q6
- Description:
- Q is a set of Molecular Dynamics (MD) tools tailored to the following
specific kinds of free energy calculations:
1. Free Energy Perturbation (FEP)
2. Empirical Valence Bond (EVB)
3. Linear Interaction Energies (LIE)
4. Quantum Classical Path (QCP)
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/science/q/ && make install clean
- To add the package, run one of these commands:
- pkg install science/q
- pkg install q
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: q
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1653355287
SHA256 (qusers-Q6-v6.0_GH0.tar.gz) = 7d83af06484eb85583620d0791bca7c14e7e34bf380ee1ce27ec7eeab6a01245
SIZE (qusers-Q6-v6.0_GH0.tar.gz) = 10608832
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- gfortran12 : lang/gcc12
- gmake>=4.3 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- gfortran12 : lang/gcc12
- There are no ports dependent upon this port
Configuration Options:
- No options to configure
- Options name:
- science_q
- USES:
- fortran gmake
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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