| Port details |
- votca CSG and XTP: libraries for atomistic simulations
- 2023 science
 =0      2022.1_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2020-05-05 01:19:35
- Last Update: 2023-11-19 09:36:25
- Commit Hash: 423db3f
- License: APACHE20
- WWW:
- https://github.com/votca/votca
- Description:
- The Votca package contains two libraries:
* VOTCA-CSG, a library which provides tools to develop coarse-grained potentials
from atomistic simulation data
* VOTCA-XTP, a library designed to determine electronic properties of organic
materials from atomistic MD-trajectories.
  ¦  ¦  ¦  ¦ 
- 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/votca/ && make install clean
- To add the package, run one of these commands:
- pkg install science/votca
- pkg install votca
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: votca
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1700276734
SHA256 (votca-votca-v2023_GH0.tar.gz) = ac78d2eb5a6694b76878d2ab1ec86bb161765143a447cc23905cdcb2bb6743be
SIZE (votca-votca-v2023_GH0.tar.gz) = 38975119
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:
-
- bash : shells/bash
- lmp : science/lammps
- py39-ase>0 : science/py-ase@py39
- py39-h5py>0 : science/py-h5py@py39
- py39-lxml>0 : devel/py-lxml@py39
- py39-xmltodict>0 : devel/py-xmltodict@py39
- rdkit>0 : science/rdkit
- cmake : devel/cmake-core
- ninja : devel/ninja
- eigen3.pc : math/eigen3
- pkgconf>=1.3.0_1 : devel/pkgconf
- perl5>=5.36<5.37 : lang/perl5.36
- Test dependencies:
-
- py39-pytest>0 : devel/py-pytest@py39
- Runtime dependencies:
-
- bash : shells/bash
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-ase>0 : science/py-ase@py39
- py39-h5py>0 : science/py-h5py@py39
- py39-lxml>0 : devel/py-lxml@py39
- py39-xmltodict>0 : devel/py-xmltodict@py39
- rdkit>0 : science/rdkit
- python3.9 : lang/python39
- perl5>=5.36<5.37 : lang/perl5.36
- Library dependencies:
-
- libboost_program_options.so : devel/boost-libs
- libecpint.so : science/libecpint
- libexpat.so : textproc/expat2
- libfftw3.so : math/fftw3
- libgromacs_d.so : science/gromacs
- libhdf5.so : science/hdf5
- libint2.so : science/libint2
- libsz.so : science/libaec
- libxc.so : science/libxc
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for votca-2023:
APPS=on: Build applications
===> Use 'make config' to modify these settings
- Options name:
- science_votca
- USES:
- cmake compiler:c++14-lang eigen:3 perl5 pkgconfig python:run shebangfix
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
2023
19 Nov 2023 09:36:25
 |
Yuri Victorovich (yuri) |
science/votca: update 2022.1 → 2023
Reported by: portscout |
2022.1_1
14 Oct 2023 17:38:19
|
Daniel Engberg (diizzy) |
science/votca: Partially fix build
Define BOOST_TIMER_ENABLE_DEPRECATED in CXXFLAGS to avoid build failure
with newer versions of Boost library
Poudriere reports filesystem violations in usr/local/share/libint
PR: 274437
Reviewed by: yuri (maintainer) |
2022.1_1
27 Sep 2023 14:36:30
|
Dima Panov (fluffy) |
devel/boost*: bump all consumers after 1.83.0 |
2022.1
07 Jun 2023 04:45:25
|
Yuri Victorovich (yuri) |
science/votca: Update 2022 → 2022.1
Reported by: portscout |
2022_8
27 Apr 2023 18:25:55
|
Dima Panov (fluffy) |
*/*: bump all direct Boost cunsumers |
2022_7
23 Apr 2023 09:09:58
|
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
2022_6
16 Jan 2023 19:32:07
|
Dima Panov (fluffy) |
*/*: bump libboost*.so libraries consumert after Boost upgrade |
2022_5
05 Nov 2022 14:47:18
|
Thierry Thomas (thierry) |
science/*: bump PORTREVISION in consumers of libXC |
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) |
2022_4
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  ) |
2022_4
12 Aug 2022 14:46:53
|
Dima Panov (fluffy) |
*/*: bump all consumers after recent boost upgrade |
2022_3
20 Jul 2022 14:35:24
|
Tobias C. Berner (tcberner) |
science/hdf5: bump PORTREVISION of consumers
The SO-version increased in the update to 1.12.2 in
a43418b81530f7e897abfbe18dd59f44265a1a0f .
Reported by: VVD <vvd@unislabs.com> |
2022_2
18 Jul 2022 12:51:29
|
Po-Chuan Hsieh (sunpoet) |
science/votca: Fix build with HDF5 1.12.0+ |
2022_2
16 Jun 2022 15:13:01
|
Po-Chuan Hsieh (sunpoet) |
*/*: Replace science/szip with science/libaec
- Bump PORTREVISION of dependent ports for dependency change
szip does not allow redistribution in binary form without proper commercial
license. Its LICENSE_PERMS should be set to no-auto-accept which blocks building
this port, therefore building dependent ports are also blocked. Switch all
dependent ports to science/libaec to avoid conflicts and license issue.
PR: 228743, 246097, 250165 |
2022_1
22 May 2022 20:17:16
|
Dima Panov (fluffy) |
devel/boost-all: bump all library consumers after boost upgrade
PR: 246106 |
2022
16 May 2022 06:49:43
|
Loïc Bartoletti (lbartoletti) |
devel/cmake: Update to 3.23.0
Update to 3.23.0.
Fix pkg-plist: using the default share/man location
Release Notes:
https://cmake.org/cmake/help/v3.23/release/3.23.html
PR: 262886
Exp-run by: antoine |
2022
25 Jan 2022 07:52:16
|
Yuri Victorovich (yuri) |
science/votca: Fix tests |
2022
24 Jan 2022 21:28:00
|
Yuri Victorovich (yuri) |
science/votca: Update 2021.2-18560 -> 2022
Reported by: portscout |
2021.2.18560
29 Sep 2021 00:49:03
|
Yuri Victorovich (yuri) |
science/votca: Update 2021.2 -> 2021.2-18560
This fixed 6 failing testcases. The patch fixing these testcases
doesn't apply to 2021.2, so the port is updated to the latest
commit. |
2021.2
24 Sep 2021 02:04:20
|
Yuri Victorovich (yuri) |
science/votca: Update 2021.1 -> 2021.2
Reported by: portscout |
2021.1
19 Jul 2021 00:49:20
|
Yuri Victorovich (yuri) |
science/votca: Update 2021 -> 2021.1
Reported by: portscout |
2021
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
2021
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
2021
14 Mar 2021 07:38:07
 |
yuri |
science/votca: Update 1.6.3 -> 2021
Reported by: portscout |
1.6.3
18 Dec 2020 05:40:58
|
yuri |
science/votca: Update 1.6.2 -> 1.6.3 |
1.6.2_1
12 Dec 2020 17:04:37
|
thierry |
- Upgrade math/eigen3 to 3.3.8;
- Add some dependencies which might be detected by Find_Package but not
registered;
- Bump PORTREVISION of consumers.
PR: 250833
Submitted by: /me
Approved by: tcberner@ (KDE / maintainer) + exp-run |
1.6.2
29 Aug 2020 18:44:12
|
yuri |
science/votca: Update 1.6.1 -> 1.6.2
Reported by: portscout |
1.6.1
24 Jun 2020 02:07:29
|
yuri |
science/votca: Update 1.6 -> 1.6.1
Reported by: portscout |
1.6_1
17 Jun 2020 01:57:30
|
yuri |
science/votca: Revert unintended changes |
1.6_1
17 Jun 2020 01:54:26
|
yuri |
science/votca: Broken on i386
Reported by: fallout |
1.6_1
06 May 2020 12:04:05
|
linimon |
Add compiler:c++14-lang to USES to fix build on GCC-based systems:
Target "cmTC_057ba" requires the language dialect "CXX14" , but CMake does
not know the compile flags to use to enable it.
Approved by: portmgr (tier-2 blanket) |
1.6_1
05 May 2020 05:13:52
|
yuri |
science/votca: Enable the XTP library |
1.6
05 May 2020 01:19:23
|
yuri |
New port: science/votca: CSG and XTP: libraries for atomistic simulations |
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