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Port details
py-moltemplate Tool to prepare simulations of molecules, complex molecular assemblies
2.20.21 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 2.20.20Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2020-05-15 03:34:42
Last Update: 2024-02-12 07:56:24
Commit Hash: 6533b7e
Also Listed In: python
License: MIT
WWW:
https://www.moltemplate.org/
Description:
Moltemplate is a general cross-platform text-based molecule builder for LAMMPS, an extremely flexible and customizable molecular dynamics engine. Moltemplate was designed for inventing new kinds of complex coarse-grained toy models of molecules, molecular machines, and assemblies. However it is well suited for preparing realistic all-atom simulations as well. It supports a wide variety of existing force fields and models including: OPLS, AMBER(GAFF,GAFF2), COMPASS, LOPLS(2015), EFF, TraPPE(1998), MOLC, mW, ELBA(water), and oxDNA2. However it can be used to build molecules using any of the force fields (and atom styles) available in LAMMPS, including new force fields created by modifying the LAMMPS source code. Molecules can be copied, combined, and linked together as building-blocks to define new molecules (hierarchically). Once built, individual molecules and subunits can be customized (atoms, bonds, and subunits can be moved and deleted). Moltemplate is currently interoperable with: VMD , PACKMOL , OVITO , CellPACK , VIPSTER , and the ATB molecule server (by using the ltemplify.py converter).
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
There is no configure plist information for this port.
Dependency lines:
  • ${PYTHON_PKGNAMEPREFIX}moltemplate>0:science/py-moltemplate@${PY_FLAVOR}
To install the port:
cd /usr/ports/science/py-moltemplate/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-moltemplate
  • pkg install py39-moltemplate
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
NOTE: This is a Python port. Instead of py39-moltemplate listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py39-moltemplate
Package flavors (<flavor>: <package>)
  • py39: py39-moltemplate
distinfo:
TIMESTAMP = 1707717081 SHA256 (jewettaij-moltemplate-v2.20.21_GH0.tar.gz) = 531c722f556cb7d9acf74244ced9ee58d2d24d6c9873f24f58ae8e3b5d4ecb41 SIZE (jewettaij-moltemplate-v2.20.21_GH0.tar.gz) = 8554086

Packages (timestamps in pop-ups are UTC):
py39-moltemplate
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest2.20.212.20.21-2.20.212.20.21---
FreeBSD:13:quarterly2.20.202.20.20--2.20.20-2.20.20-
FreeBSD:14:latest2.20.212.20.21-2.20.212.20.21---
FreeBSD:14:quarterly2.20.202.20.20--2.20.20-2.20.20-
FreeBSD:15:latest2.20.212.20.21n/a2.20.21n/a-2.20.202.20.21
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py39-pytest-runner>0 : devel/py-pytest-runner@py39
  2. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  3. python3.9 : lang/python39
Test dependencies:
  1. shunit2>0 : devel/shunit2
  2. python3.9 : lang/python39
Runtime dependencies:
  1. py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
  2. bash : shells/bash
  3. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  4. python3.9 : lang/python39
There are no ports dependent upon this port

Configuration Options:
No options to configure
Options name:
science_py-moltemplate
USES:
python shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/jewettaij/moltemplate/tar.gz/v2.20.21?dummy=/
Collapse this list.

Number of commits found: 40

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
2.20.21
12 Feb 2024 07:56:24
commit hash: 6533b7ea4fc39ebf854c508c938a779337353040commit hash: 6533b7ea4fc39ebf854c508c938a779337353040commit hash: 6533b7ea4fc39ebf854c508c938a779337353040commit hash: 6533b7ea4fc39ebf854c508c938a779337353040 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: update 2.20.20 → 2.20.21

Reported by:	portscout
2.20.20
27 Jun 2023 19:34:34
commit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacbcommit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacbcommit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacbcommit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacb files touched by this commit
Rene Ladan (rene) search for other commits by this committer
all: remove explicit versions in USES=python for "3.x+"

The logic in USES=python will automatically convert this to 3.8+ by
itself.

Adjust two ports that only had Python 3.7 mentioned but build fine
on Python 3.8 too.

finance/quickfix: mark BROKEN with PYTHON

libtool: compile:  c++ -DHAVE_CONFIG_H -I. -I../.. -I -I. -I.. -I../.. -I../C++
-DLIBICONV_PLUG -DPYTHON_MAJOR_VERSION=3 -Wno-unused-variable
-Wno-maybe-uninitialized -O2 -pipe -DLIBICONV_PLUG -fstack-protector-strong
-fno-strict-aliasing -DLIBICONV_PLUG -Wall -ansi
-Wno-unused-command-line-argument -Wpointer-arith -Wwrite-strings
-Wno-overloaded-virtual -Wno-deprecated-declarations -Wno-deprecated -std=c++0x
-MT _quickfix_la-QuickfixPython.lo -MD -MP -MF
.deps/_quickfix_la-QuickfixPython.Tpo -c QuickfixPython.cpp  -fPIC -DPIC -o
.libs/_quickfix_la-QuickfixPython.o
warning: unknown warning option '-Wno-maybe-uninitialized'; did you mean
'-Wno-uninitialized'? [-Wunknown-warning-option]
QuickfixPython.cpp:175:11: fatal error: 'Python.h' file not found
          ^~~~~~~~~~
1 warning and 1 error generated.

Reviewed by:	portmgr, vishwin, yuri
Differential Revision:	<https://reviews.freebsd.org/D40568>
2.20.20
30 Apr 2023 18:26:53
commit hash: 7fec89010f310edd98d07cd724242d910458ebb6commit hash: 7fec89010f310edd98d07cd724242d910458ebb6commit hash: 7fec89010f310edd98d07cd724242d910458ebb6commit hash: 7fec89010f310edd98d07cd724242d910458ebb6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.17 → 2.20.20

Reported by:	portscout
2.20.17_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
2.20.17
04 Dec 2022 21:17:44
commit hash: 0cb6dbcaabf162d2a8eb4b7f35c6170199dec67ccommit hash: 0cb6dbcaabf162d2a8eb4b7f35c6170199dec67ccommit hash: 0cb6dbcaabf162d2a8eb4b7f35c6170199dec67ccommit hash: 0cb6dbcaabf162d2a8eb4b7f35c6170199dec67c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.15 -> 2.20.17

Reported by:	portscout
2.20.15
08 Nov 2022 05:22:00
commit hash: 9ee9a0ef65c8375ffdec31071e4bb080ae80977bcommit hash: 9ee9a0ef65c8375ffdec31071e4bb080ae80977bcommit hash: 9ee9a0ef65c8375ffdec31071e4bb080ae80977bcommit hash: 9ee9a0ef65c8375ffdec31071e4bb080ae80977b files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.14 -> 2.20.15

Reported by:	portscout
2.20.14
27 Sep 2022 02:48:59
commit hash: 6836582615c905606df406190bc443351d5bb35ccommit hash: 6836582615c905606df406190bc443351d5bb35ccommit hash: 6836582615c905606df406190bc443351d5bb35ccommit hash: 6836582615c905606df406190bc443351d5bb35c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.6 -> 2.20.14

Reported by:	portscout
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)
2.20.6
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)
2.20.6
01 Jul 2022 22:41:38
commit hash: b0b901c7f8793c71e1a727b27eb3e9c75e418452commit hash: b0b901c7f8793c71e1a727b27eb3e9c75e418452commit hash: b0b901c7f8793c71e1a727b27eb3e9c75e418452commit hash: b0b901c7f8793c71e1a727b27eb3e9c75e418452 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.5 -> 2.20.6

Reported by:	portscout
2.20.5
10 May 2022 06:37:51
commit hash: c10d7e30a8be75a59069472ebc60b7730ec3c2eecommit hash: c10d7e30a8be75a59069472ebc60b7730ec3c2eecommit hash: c10d7e30a8be75a59069472ebc60b7730ec3c2eecommit hash: c10d7e30a8be75a59069472ebc60b7730ec3c2ee files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.3 -> 2.20.5

Reported by:	portscout
2.20.3
28 Feb 2022 04:08:09
commit hash: 05e4b0f238cefbe7a31e744571802d16502cbc2fcommit hash: 05e4b0f238cefbe7a31e744571802d16502cbc2fcommit hash: 05e4b0f238cefbe7a31e744571802d16502cbc2fcommit hash: 05e4b0f238cefbe7a31e744571802d16502cbc2f files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.2 -> 2.20.3

Reported by:	portscout
2.20.2
26 Jan 2022 17:44:07
commit hash: 127799b4623b828991c65826c8cc2880e1e08eadcommit hash: 127799b4623b828991c65826c8cc2880e1e08eadcommit hash: 127799b4623b828991c65826c8cc2880e1e08eadcommit hash: 127799b4623b828991c65826c8cc2880e1e08ead files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.20.1 -> 2.20.2

Reported by:	portscout
2.20.1
25 Jan 2022 05:44:22
commit hash: f46dfe837c6cf21cb669d60df72d057aa10bb2c6commit hash: f46dfe837c6cf21cb669d60df72d057aa10bb2c6commit hash: f46dfe837c6cf21cb669d60df72d057aa10bb2c6commit hash: f46dfe837c6cf21cb669d60df72d057aa10bb2c6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.19.14 -> 2.20.1
2.19.14
30 Dec 2021 05:15:50
commit hash: ba939ac81bdeb5e57a3cac6ba4968bfa60c405e3commit hash: ba939ac81bdeb5e57a3cac6ba4968bfa60c405e3commit hash: ba939ac81bdeb5e57a3cac6ba4968bfa60c405e3commit hash: ba939ac81bdeb5e57a3cac6ba4968bfa60c405e3 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.19.12 -> 2.19.14

Reported by:	portscout
2.19.12
05 Aug 2021 22:16:23
commit hash: 535196fcf21fecac3ab6a48fad03db410c32a0b6commit hash: 535196fcf21fecac3ab6a48fad03db410c32a0b6commit hash: 535196fcf21fecac3ab6a48fad03db410c32a0b6commit hash: 535196fcf21fecac3ab6a48fad03db410c32a0b6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.19.11 -> 2.19.12

Reported by:	portscout
2.19.11
22 Jun 2021 21:54:17
commit hash: f552fb4b536ff6d5f16ee639d9bf3c9935739427commit hash: f552fb4b536ff6d5f16ee639d9bf3c9935739427commit hash: f552fb4b536ff6d5f16ee639d9bf3c9935739427commit hash: f552fb4b536ff6d5f16ee639d9bf3c9935739427 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.19.10 -> 2.19.11

Reported by:	portscout
2.19.10
05 May 2021 05:01:52
commit hash: 3ac2cd4c791e86bf2efdef511ed26153f4a9c7e3commit hash: 3ac2cd4c791e86bf2efdef511ed26153f4a9c7e3commit hash: 3ac2cd4c791e86bf2efdef511ed26153f4a9c7e3commit hash: 3ac2cd4c791e86bf2efdef511ed26153f4a9c7e3 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.19.9 -> 2.19.10

Reported by:	portscout
2.19.9
28 Apr 2021 17:44:29
commit hash: 4d3b24466b1c4273ca6debf957487e3ada053fc7commit hash: 4d3b24466b1c4273ca6debf957487e3ada053fc7commit hash: 4d3b24466b1c4273ca6debf957487e3ada053fc7commit hash: 4d3b24466b1c4273ca6debf957487e3ada053fc7 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.19.8 -> 2.19.9

Reported by:	portscout
2.19.8
09 Apr 2021 20:42:48
commit hash: 9b0ab740bd150a34a20e4b94ba401f05a649976fcommit hash: 9b0ab740bd150a34a20e4b94ba401f05a649976fcommit hash: 9b0ab740bd150a34a20e4b94ba401f05a649976fcommit hash: 9b0ab740bd150a34a20e4b94ba401f05a649976f files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-moltemplate: Update 2.19.7 -> 2.19.8
2.19.7
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
2.19.7
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
2.19.7
11 Mar 2021 17:16:05
Revision:568109Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.19.6 -> 2.19.7

Reported by:	portscout
2.19.6
19 Feb 2021 09:50:39
Revision:566043Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.19.5 -> 2.19.6
2.19.5
07 Feb 2021 23:14:39
Revision:564663Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.19.4 -> 2.19.5

Reported by:	portscout
2.19.4
28 Dec 2020 23:02:15
Revision:559531Original commit files touched by this commit
antoine search for other commits by this committer
Drop python 2.7 support from a few ports

With hat:	portmgr
2.19.4
24 Dec 2020 23:16:42
Revision:559201Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.19.3 -> 2.19.4
2.19.3
21 Dec 2020 08:42:27
Revision:558806Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.19.1 -> 2.19.3

Reported by:	portscout
2.19.1
05 Nov 2020 21:56:15
Revision:554160Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.19.0 -> 2.19.1

Reported by:	portscout
2.19.0
26 Oct 2020 04:57:24
Revision:553314Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.18.9 -> 2.19.0

Reported by:	portscout
2.18.9
17 Oct 2020 01:31:12
Revision:552541Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.18.8 -> 2.18.9

Reported by:	portscout
2.18.8
15 Oct 2020 22:39:50
Revision:552485Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplat: Update 2.18.7 -> 2.18.8

Reported by:	portscout
2.18.7
12 Oct 2020 01:07:02
Revision:552088Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.18.6 -> 2.18.7

Reported by:	portscout
2.18.6
29 Sep 2020 08:19:33
Revision:550479Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.18.3 -> 2.18.6

Reported by:	portscout
2.18.3
20 Aug 2020 03:20:53
Revision:545491Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.18.2 -> 2.18.3

Reported by:	portscout
2.18.2
30 Jul 2020 17:22:42
Revision:543810Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.18.1 -> 2.18.2

Reported by:	portscout
2.18.1
21 Jul 2020 02:03:06
Revision:542705Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.17.8 -> 2.18.1

Reported by:	portscout
2.17.8
29 May 2020 05:30:36
Revision:536943Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.17.7 -> 2.17.8

Reported by:	portscout
2.17.7
25 May 2020 07:50:46
Revision:536444Original commit files touched by this commit
yuri search for other commits by this committer
science/py-moltemplate: Update 2.17.6 -> 2.17.7

Reported by:	portacout
2.17.6
15 May 2020 03:33:39
Revision:535261Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/py-moltemplate: Tool to prepare simulations of molecules,
complex molecular assemblies

Number of commits found: 40