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.
science/rdkit: update 2025_09_2 → 2026.03.6
also:
- fixed many tests and upstreamed fixes (their testsuite is in a disarray,
we shouldn't really be fixing people's tests, but anyways)
- discovered and fixed wrong clang detection in the code, reported
upstream
- fixed wrongfully excluded code that caused plist issues
- fixed compiler crash on 16 (by using llvm:23)
*/*: switch dependency from devel/py-lxml5 to devel/py-lxml
Currently, there are two versions of python XML processing library
which conflict each other in the ports tree, namely:
- devel/py-lxml5 (now at version 5.4.0)
- devel/py-lxml (now at version 6.0.1)
To avoid the situation that some ports depend on py-lxml5 and some
others do on py-lxml (by switching dependencies individually), this
commit switches the dependencies from py-lxml5 to py-lxml at once.
Additional note: There are still two ports (textproc/py-rdflib and
www/py-draftjs-exporter) depending on py-lxml5 since they limit upper
version to less than 6.
PR: 289491
Approved by: Michiel van Baak Jansen <michiel@vanbaak.eu>, arrowd,
crees, madpilot, delphij, marcus, nivit, kai,
skreuzer, fluffy, bofh, thierry, stephen, sunpoet,
0mp, Eric Camachat <eric@camachat.org>
*/*: update dependency on devel/py-lxml to devel/py-lxml5 (2nd attempt)
This is a follow up to the commit 230fb2661c78, which updated some
ports' dependencies on devel/py-lxml to devel/py-lxml5. It was an
attempt to follow the dependency change of
www/py-beautifulsoup. However, the switch was incomplete and broke
some other ports.
It has turned out that the ports depending on devel/py-lxml (at
version 4.9.3) does not limit their dependencies' upper bound to 4.x
except for one (devel/py-pymaven-patch). So updating them to
devel/py-lxml5 (at version 5.4.0) should cause no harm.
This commit switch dependencies of all the ports (except
devel/py-pymaven-patch) to devel/py-lxml5 avoid potential conflicts.
Co-authored-by: Daniel Engberg <diizzy@FreeBSD.org>
PR: 287144, 288047
Reported by: makc (via ports-committers),
vvd (PR 288047),
diizzy (PR 287144)
Approved by: portmgr (chase dependency change, unbreak build)
Fixes: 230fb2661c78 (*/*: update dependency on devel/py-lxml to devel/py-lxml5)
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)
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 )
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>
*/*: 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
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.
- 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
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)
