| Port details |
- 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:
|
Number of commits found: 4
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
6.0_1
23 Apr 2023 09:09:58
 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
07 Sep 2022 21:58:51
|
Stefan Eßer (se) |
Remove WWW entries moved into port Makefiles
Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.
This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.
Approved by: portmgr (tcberner) |
6.0
07 Sep 2022 21:10:59
|
Stefan Eßer (se) |
Add WWW entries to port Makefiles
It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.
Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.
There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above  ) |
6.0
24 May 2022 01:54:08
|
Yuri Victorovich (yuri) |
science/q: New port: Molecular Dynamics (MD) tools |
Number of commits found: 4
|
As an Amazon Associate I earn from qualifying purchases.