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Port details
q Molecular Dynamics (MD) tools
6.0_1 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 6.0_1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
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)
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (9 items)
Collapse this list.
  1. bin/Qcalc6
  2. bin/Qdum6
  3. bin/Qdyn6
  4. bin/Qfep6
  5. bin/Qpi6
  6. bin/Qprep6
  7. /usr/local/share/licenses/q-6.0_1/catalog.mk
  8. /usr/local/share/licenses/q-6.0_1/LICENSE
  9. /usr/local/share/licenses/q-6.0_1/GPLv2+
Collapse this list.
Dependency lines:
  • q>0:science/q
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):
q
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest6.0_16.0_1-6.0_16.0_1---
FreeBSD:13:quarterly6.0_16.0_1-6.0_16.0_1-6.0_16.0_1
FreeBSD:14:latest6.0_16.0_1-6.0_16.0_1---
FreeBSD:14:quarterly6.0_16.0_1-6.0_16.0_1-6.0_16.0_1
FreeBSD:15:latest6.0_16.0_1n/a6.0_1n/a-6.0_16.0_1
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran12 : lang/gcc12
  2. gmake>=4.3 : devel/gmake
  3. as : devel/binutils
Runtime dependencies:
  1. 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:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/qusers/Q6/tar.gz/v6.0?dummy=/
Collapse this list.

Number of commits found: 4

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
6.0_1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
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
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
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 View all of this commit message)
6.0
24 May 2022 01:54:08
commit hash: 861dc058cbf22c8ed2bd0b69bb8492428b6566adcommit hash: 861dc058cbf22c8ed2bd0b69bb8492428b6566adcommit hash: 861dc058cbf22c8ed2bd0b69bb8492428b6566adcommit hash: 861dc058cbf22c8ed2bd0b69bb8492428b6566ad files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/q: New port: Molecular Dynamics (MD) tools

Number of commits found: 4