Port details |
- namd Computer software for molecular dynamics simulation
- 2.12_4 science
=2 2.12_4Version of this port present on the latest quarterly branch. IGNORE: please download the release tarball of the version 2.12 (NAMD_2.12_Source.tar.gz) from https://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD, put it into /usr/ports/distfiles, and run 'make' again
- Maintainer: yuri@FreeBSD.org
 - Port Added: 2018-09-08 23:28:35
- Last Update: 2023-04-23 09:09:58
- Commit Hash: 8d3e020
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: NAMD_MOLECULAR_DYNAMICS_LICENSE
- WWW:
- https://www.ks.uiuc.edu/Research/namd/
- Description:
- NAMD is computer software for molecular dynamics simulation, written using the
Charm++ parallel programming model. It is noted for its parallel efficiency and
is often used to simulate large systems (millions of atoms). It has been
developed by the collaboration of the Theoretical and Computational Biophysics
Group (TCB) and the Parallel Programming Laboratory (PPL) at the University of
Illinois at Urbana-Champaign.
¦ ¦ ¦ ¦ 
- 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/namd/ && make install clean
- We doubt a package is available for this port because we see it marked as as:
- Ignore
- Package not available
Packages are normally not provided for ports that are marked as above.- To add the package, run one of these commands:
- pkg install science/namd
- pkg install namd
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: there is no package for this port: _LICENSE_RESTRICTED = delete-package delete-distfiles
- Flavors: there is no flavor information for this port.
- ONLY_FOR_ARCHS: amd64 i386
- distinfo:
- TIMESTAMP = 1536472466
SHA256 (NAMD_2.12_Source.tar.gz) = 436d11e4ff78136c7463d448d2eee92509a39b4c03cab8d07176bb20ddcb675a
SIZE (NAMD_2.12_Source.tar.gz) = 9706667
No package information for this port in our database- Sometimes this happens. Not all ports have packages. Perhaps there is a build error. Check the fallout link:

- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- bash : shells/bash
- fftw3.h : math/fftw3
- gfortran12 : lang/gcc12
- gmake>=4.3 : devel/gmake
- python3.9 : lang/python39
- as : devel/binutils
- Runtime dependencies:
-
- gfortran12 : lang/gcc12
- Library dependencies:
-
- libck.so : net/charm
- libfftw3f.so : math/fftw3-float
- libtcl86.so : lang/tcl86
- There are no ports dependent upon this port
Configuration Options:
- No options to configure
- Options name:
- science_namd
- USES:
- fortran gmake localbase:ldflags python:build shebangfix tcl
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
- There is no master site for this port.
|
Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
Commit | Credits | Log message |
2.12_4 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) |
2.12_3 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 ) |
2.12_3 25 Oct 2021 12:58:29
    |
Alexey Dokuchaev (danfe)  |
Style: improve ONLY_FOR_ARCHS_REASON (grammar, markup, etc.)
ONLY_FOR_ARCHS_REASON is used as part of the sentence and thus should
start with lower-case letter and not end with a period which is added
by the framework, similar to other knobs like BROKEN, IGNORE, et al.
While here, remove needless quoting, add missing Oxford comma, expand
contractions and jargonisms, use correct spelling for proper names. |
2.12_3 07 Apr 2021 08:09:01
    |
Mathieu Arnold (mat)  |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
2.12_3 06 Apr 2021 14:31:07
    |
Mathieu Arnold (mat)  |
Remove # $FreeBSD$ from Makefiles. |
2.12_3 26 Jul 2019 20:46:57
  |
gerald  |
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.
This includes ports
- with USE_GCC=yes or USE_GCC=any,
- with USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and
- with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.
PR: 238330 |
2.12_2 22 Apr 2019 13:16:34
  |
gerald  |
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.
Suggested by: tijl |
2.12_1 12 Dec 2018 01:35:36
  |
gerald  |
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.
This includes ports
- with USE_GCC=yes or USE_GCC=any,
- with USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and
- with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.
PR: 231590 |
2.12 10 Sep 2018 06:59:36
  |
yuri  |
science/namd: Remove RESTRICTED because LICENSE_PERMS is restrictive
Reported by: mat |
2.12 09 Sep 2018 17:06:49
  |
yuri  |
science/namd: Add IGNORE clause instead of the custom do-fetch clause for the
licensing warning
Also add RESTRICTED, and remove GIT_URL.
Reported by: mat |
2.12 09 Sep 2018 06:18:02
  |
yuri  |
science/namd: Downgrade 2-12-211 -> 2.12
Direct fetch from the git server might be a license violation.
Will try to get an agreement from UIUC that the previous fetch can be returned.
Not adding PORTEPOCH, because it was nothing wrong technically with 2.12.211.
Suggested by: linimon, adamw |
2.12.211 09 Sep 2018 00:57:45
  |
yuri  |
science/namd: Change LICENSE_PERMS: no redistribution is allowed. |
2.12.211 08 Sep 2018 23:28:21
  |
yuri  |
New port: science/namd: Computer software for molecular dynamics simulation |