Port details |
- py-pymol OpenGL-based molecular visualization system
- 2.5.0.97_2 science =2 2.5.0.97_2Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2017-12-19 19:49:25
- Last Update: 2023-10-29 20:37:06
- Commit Hash: 4731af6
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- Also Listed In: biology python
- License: PyMOL
- WWW:
- https://pymol.org/2/
- Description:
- PyMOL is a Python-enhanced molecular graphics tool. It excels at
3D visualization of proteins, small molecules, density, surfaces,
and trajectories. It also includes molecular editing, ray tracing,
and movies. Open Source PyMOL is free to everyone!
This version represents the community-supported open source distribution
of the closed source commercial product PyMOL.
- ¦ ¦ ¦ ¦
- 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:
-
- ${PYTHON_PKGNAMEPREFIX}pymol>0:science/py-pymol@${PY_FLAVOR}
- Conflicts:
- CONFLICTS_INSTALL:
- To install the port:
- cd /usr/ports/science/py-pymol/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-pymol
- pkg install py39-pymol
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-pymol listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-pymol
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1669581024
SHA256 (schrodinger-pymol-open-source-v2.5.0-97-gd24468af_GH0.tar.gz) = 801e8e71a02c56c07aacd241044e397586a435a4435b74845d779d9846c994af
SIZE (schrodinger-pymol-open-source-v2.5.0-97-gd24468af_GH0.tar.gz) = 10495556
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:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- glm.hpp : math/glm
- mmtf.hpp : science/mmtf-cpp
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- xorgproto>=0 : x11/xorgproto
- xorgproto>=0 : x11/xorgproto
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-msgpack>0 : devel/py-msgpack@py39
- py39-Pmw>0 : x11-toolkits/py-Pmw@py39
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- py39-qt5-pyqt>=5.15.10 : devel/py-qt5-pyqt@py39
- Library dependencies:
-
- libfreetype.so : print/freetype2
- libpng.so : graphics/png
- libmsgpackc.so : devel/msgpack-c
- libnetcdf.so : science/netcdf
- libGL.so : graphics/libglvnd
- libGLEW.so : graphics/glew
- libGLU.so : graphics/libGLU
- libglut.so : graphics/freeglut
- libxml2.so : textproc/libxml2
- There are no ports dependent upon this port
Configuration Options:
- ===> The following configuration options are available for py39-pymol-2.5.0.97_2:
====> GUI (Graphical User Interface) support: you have to select exactly one of them
QT5=on: Qt 5 toolkit support
TK=off: Tk GUI toolkit support
===> Use 'make config' to modify these settings
- Options name:
- science_py-pymol
- USES:
- compiler:c++11-lang gl gnome python tar:bz2 pyqt:5
- 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 |
2.5.0.97_2 29 Oct 2023 20:37:06 |
Jason E. Hale (jhale) |
Revert "science/py-pymol: Mark DEPRECATED"
This reverts commit c3da27075a6d38d1c3659a242245c519a6756165.
devel/py-qt5-pyqt is no longer marked DEPRECATED. This port does not
require python bindings for www/qt5-webkit. |
2.5.0.97_2 28 Oct 2023 14:39:52 |
Muhammad Moinur Rahman (bofh) |
science/py-pymol: Mark DEPRECATED
- Depends on deprecated devel/py-qt5-pyqt
- Set EXPIRATION_DATE 2023-11-28
Approved by: portmgr (blanket) |
2.5.0.97_2 19 Oct 2023 07:07:31 |
Robert Clausecker (fuz) |
science/py-pymol: fix build on targets without OpenMP
armv7 still doesn't have it, so disable OpenMP there to make the port
build. The previous problem from PR 262208 seems to no longer occur.
Approved by: portmgr (build fix blanket)
MFH: 2023Q4 |
2.5.0.97_2 27 Jun 2023 19:34:34 |
Rene Ladan (rene) |
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> |
2.5.0.97_2 25 Apr 2023 15:17:15 |
Christian Weisgerber (naddy) |
audio/opus: bump consumers after update to 1.4 |
2.5.0.97_1 23 Apr 2023 09:09:58 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
2.5.0.97 27 Nov 2022 21:03:05 |
Yuri Victorovich (yuri) |
science/py-pymol: Update 2.4.0 -> 2.5.0-97 |
2.4.0_7 16 Oct 2022 21:10:02 |
Adam Weinberger (adamw) |
devel/msgpack: Update and split into C and C++ versions
Upstream now provides msgpack as two separate distributions: a C version
with the traditional libmsgpackc.so library, and a header-only C++
version.
devel/msgpack is now devel/msgpack-c and devel/msgpack-cxx, and its
consumers now point to one or both. Note that it is entirely possible
for both to be required. PORTREVISION bump for all consumers.
In my testing, it's not clear that the MSGPACK option in the mariadb
ports actually does anything. I don't think mariadb is actually linking
against msgpack, even before this commit. |
2.4.0_6 11 Sep 2022 10:20:14 |
Felix Palmen (zirias) |
Mk/Uses: always use colon for build/run suffix
Most USES use a colon for build/run(/test) suffixes. Change kde.mk,
qt.mk and pyqt.mk to do the same, and update all ports using that.
Document in CHANGES.
PR: 266034
Exp-run by: antoine
Approved by: tcberner (mentor)
Differential Revision: https://reviews.freebsd.org/D36349 |
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) |
2.4.0_6 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 ) |
2.4.0_6 20 Jul 2022 14:22:51 |
Tobias C. Berner (tcberner) |
science: remove 'Created by' lines
A big Thank You to the original contributors of these ports:
* Andreas Fehlner <fehlner@gmx.de>
* Brad Huntting <huntting@glarp.com>
* Chao Shin <quakelee@cn.FreeBSD.org>
* Cheng-Lung Sung <clsung@FreeBSD.org>
* Chia-Hsing Yu <me@davidyu.org>
* Chris Rees <utisoft@gmail.com>
* David Naylor <dbn@FreeBSD.org>
* Dmitry Sivachenko <demon@FreeBSD.org>
* Ed Schouten <ed@FreeBSD.org>
* Eric Freeman <freebsdports@chillibear.com>
* Erik B Knudsen (Only the first 15 lines of the commit message are shown above ) |
2.4.0_6 10 Apr 2022 19:11:41 |
Charlie Li (vishwin) |
textproc/libxml2: bump all LIB_DEPENDS consumers
This is a separate commit to facilitate easier cherry-picking for
quarterly.
PR: 262853, 262940, 262877, 263126
Approved by: fluffy (mentor) |
2.4.0_5 26 Mar 2022 08:27:27 |
Matthias Fechner (mfechner) |
textproc/libxml2: bump all dependencies
This should make sure that all dependent ports will pick
up the new version commited with a13ec21cd733f67a9fc0dc00ab45268bdc236246 |
2.4.0_4 07 Mar 2022 17:39:13 |
Loïc Bartoletti (lbartoletti) |
devel/py-qt5, devel/py-sip: Update versions
- Update sip to 6.5.1
- Update PyQt5 to 5.15.6
- Update PyQtChart, PyQtNetworkAuth and PyQtWebengine to 5.15.5
- Update PyQtSip to 12.9.1
- Update PyQtBuilder to 1.12.2
- Add ${_MAKE_JOBS} for pyqt.mk (reported by Tatsuki Makino)
PR: 261685
Exp-run by: antoine |
2.4.0_3 27 Jan 2022 06:12:26 |
Loïc Bartoletti (lbartoletti) |
PyQt: Update sip to 6.5.0, reintroduce sip4 and simplify PyQt framework.
SIP:
As mentioned in the update from sip to sip5, this is a transitional version
to remove what is deprecated in sip4.
Sip6 completely removes the deprecated parts.
Unfortunately, some ports — mostly cura things — can not use sip6, so we
reintroduce sip4.
PyQt:
At the same time, we took the opportunity to simplify PyQT and propose only one
package as for devel/pyside2. */py-qt5-* have been merged — excepted chart,
networkauth and webengine — into devel/py-qt5-pyqt.
This allows us to be in adequacy with the packages that the author of these (Only the first 15 lines of the commit message are shown above ) |
2.4.0_3 22 Jun 2021 18:53:08 |
Kevin Bowling (kbowling) |
graphics/mesa-libs: Bump reverse deps for libglvnd
Per discussion with bapt on helping pkg handle the changing of these
deps and avoiding impossible upgrade senarios.
PR: 246767
Reviewed by: manu, bapt
Approved by: x11
Differential Revision: https://reviews.freebsd.org/D30824 |
2.4.0_2 06 Apr 2021 14:31:07 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
2.4.0_2 12 Mar 2021 15:55:03 |
amdmi3 |
- Update math/glm to 0.9.9.8 |
2.4.0_1 26 Jan 2021 14:04:01 |
sunpoet |
Bump PORTREVISION for science/netcdf shlib change |
2.4.0 24 Dec 2020 13:37:41 |
fluffy |
science/py-pymol: switch to PYTHON_EXT_SUFFIX |
2.4.0 29 May 2020 08:42:46 |
antoine |
pymol fails to build with python 2.7
Reported by: pkg-fallout |
2.4.0 21 May 2020 07:17:55 |
yuri |
Add CONFLICT between science/py-chempy and science/py-pymol |
2.4.0 21 May 2020 07:14:37 |
yuri |
science/py-pymol: Update 2.3.0 -> 2.4.0 |
2.3.0_1 23 Feb 2020 15:25:53 |
antoine |
Deprecate a few ports
With hat: portmgr |
2.3.0_1 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 |
2.3.0 16 Feb 2019 10:32:12 |
antoine |
Unbreak INDEX |
2.3.0 12 Feb 2019 06:52:57 |
yuri |
science/py-pymol: Update 2.2.0 -> 2.3.0
Reported by: portscout |
2.2.0_3 16 Jan 2019 11:13:45 |
tijl |
Fix Qt5 symbol version scripts to put the catch-all clause first. When
a symbol matches multiple clauses the last one takes precedence. If the
catch-all is last it captures everything. In the case of Qt5 libraries
this caused all symbols to have a Qt_5 label while some should have
Qt_5_PRIVATE_API. This only affects lld because GNU ld always gives the
catch-all lowest priority.
Older versions of Qt5Webengine exported some memory allocation symbols from
the bundled Chromium. Version 5.9 stopped exporting these [1] but the
symbols were kept as weak wrappers for the standard allocation functions to
maintain binary compatibility. [2][3] The problem is that the call to the
standard function in these weak wrappers is only resolved to the standard
function if there's a call to this standard function in other parts of
Qt5Webengine, because only then is there a non-weak symbol that takes
precedence over the weak one. If there's no such non-weak symbol the call (Only the first 15 lines of the commit message are shown above ) |
2.2.0_2 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 |
2.2.0_1 22 Nov 2018 20:18:37 |
tcberner |
pyqt: Change install directories for Python flavor support
* PyQt could not be installed for multiple Python versions at
the same time, as there were conflicting files.
This patch creates Python-version versioned directories for
all these, and further installs binaries with a version number.
* Note, there might be some hickups for software that depends on
on of the .so's provided by PyQt5, which might not be found
anymore autmotically, and maybe need some LD-flaggery.
* Update PyQt5 to 5.10.1
* Mark www/py-qt5-webengine broken. It is unforuntately no longer
compatible with the old qt5-webengine-5.9.4 we ship.
PR: 232745
Exp-run by: antoine
Differential Revision: https://reviews.freebsd.org/D8714 |
2.2.0 17 Sep 2018 20:48:45 |
yuri |
science/py-pymol: Update 2.1.0 -> 2.2.0
Moved to GitHub.
Also update WWW. |
2.1.0_3 29 Jul 2018 22:18:46 |
gerald |
Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.
This includes ports
- featuring USE_GCC=yes or USE_GCC=any,
- featuring USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and those
- with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.
PR: 222542 |
2.1.0_2 20 Jun 2018 17:05:44 |
mat |
Use PY_FLAVOR for dependencies.
FLAVOR is the current port's flavor, it should not be used outside of
this scope.
Sponsored by: Absolight |
2.1.0_2 22 Apr 2018 18:29:51 |
sunpoet |
Move devel/py-msgpack-python to devel/py-msgpack
- Update to 0.5.6
- Update pkg-descr
- Update WWW
Changes: https://github.com/msgpack/msgpack-python/blob/master/ChangeLog.rst |
2.1.0_1 22 Mar 2018 05:48:25 |
yuri |
science/py-pymol: Add GUI options QT5 and TK; Add missing dependency NUMPY
Now QT5 is the default, while Tk is still available as a second choice. |
2.1.0 20 Mar 2018 07:53:14 |
yuri |
science/py-pymol: Update to 2.1.0
Release notes:
https://pymol.org/dokuwiki/?id=media:new21
Port changes:
* Fixed shebang in bin/pymol
* Misc minor changes
Reported by: portscout |
1.8.6.0 19 Dec 2017 20:06:09 |
antoine |
- Canonicalize LIB_DEPENDS
- Limit to python 2.7, the dependencies and the plist are not compatible
with python3
- Cleanup plist
With hat: portmgr (poudriere bulk -a broken) |
1.8.6.0 19 Dec 2017 19:49:17 |
yuri |
Re-added port: science/py-pymol: OpenGL based molecular visualization system
(existed 2002/08/13-2014/09/01, deleted in r366862)
Approved by: adamw (mentor)
Differential Revision: https://reviews.freebsd.org/D12902 |