| Port details on branch 2024Q4 |
- shelxle Graphical user interface for small-molecule structure refinement
- 1.0.1680_1 science
 =0      1.0.1680_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2024-12-14 13:48:04
- Last Update: 2024-12-14 13:45:32
- Commit Hash: d7d028c
- License: LGPL21
- WWW:
- https://www.shelxle.org/shelx/eingabe.php
- Description:
- ShelXle is a graphical user interface for SHELXL, currently the most widely used
program for small-molecule structure refinement. It combines an editor with
syntax highlighting for the SHELXL-associated .ins (input) and .res (output)
files with an interactive graphical display for visualization of a
three-dimensional structure including the electron density (Fo) and difference
density (Fo-Fc) maps. Special features of ShelXle include intuitive atom
(re-)naming, a strongly coupled editor, structure visualization in various mono
and stereo modes, and a novel way of displaying disorder extending over special
positions. ShelXle is completely compatible with all features of SHELXL and is
written entirely in C++ using the Qt and FFTW libraries. It is available at no
cost for Windows, Linux and Mac-OS X and as source code.
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- shelxle>0:science/shelxle
- To install the port:
- cd /usr/ports/science/shelxle/ && make install clean
- To add the package, run one of these commands:
- pkg install science/shelxle
- pkg install shelxle
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: shelxle
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1727411723
SHA256 (shelxle-1.0.1680.tar.bz2) = 9020a456f54f882a89caac35345fdfc335cd8d769c98713caba47cc7d3780310
SIZE (shelxle-1.0.1680.tar.bz2) = 3963739
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:
-
- xorgproto>=0 : x11/xorgproto
- lupdate : devel/qt6-tools
- Library dependencies:
-
- libGL.so : graphics/libglvnd
- libQt6Core.so : devel/qt6-base
- There are no ports dependent upon this port
Configuration Options:- No options to configure
- Options name:
- science_shelxle
- USES:
- compiler:c++11-lang dos2unix gl qmake qt:6 tar:bz2
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
Number of commits found: 1
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
1.0.1680_1
14 Dec 2024 13:45:32
 |
Yuri Victorovich (yuri) |
science/shelxle: Switch to Qt6 |
Number of commits found: 1
|
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