| Port details |
- py-oddt Open Drug Discovery Toolkit
- 0.7_2 science
 =2      0.7_2Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2019-02-09 22:53:28
- Last Update: 2023-06-27 19:34:34
- Commit Hash: 3d9a815
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- Also Listed In: python
- License: BSD3CLAUSE
- WWW:
- https://github.com/oddt/oddt
- Description:
- Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use
in cheminformatics, molecular modeling etc. ODDT is written in Python, and make
extensive use of numpy/scipy.
  ¦  ¦  ¦  ¦ 
- 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:
-
- ${PYTHON_PKGNAMEPREFIX}oddt>0:science/py-oddt@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-oddt/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-oddt
- pkg install py39-oddt
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-oddt listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-oddt
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1577423268
SHA256 (oddt-oddt-0.7_GH0.tar.gz) = 297f35d8fa1a227e2c69c87cf6e9c44c2818956b2a4ce8ac8642313ba27ba071
SIZE (oddt-oddt-0.7_GH0.tar.gz) = 42248145
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<1.25,1 : math/py-numpy@py39
- py39-joblib>=0.9.4 : devel/py-joblib@py39
- py39-pandas>=0.19.2 : math/py-pandas@py39
- py39-scikit-learn>=0.18 : science/py-scikit-learn@py39
- py39-scipy>=0.17 : science/py-scipy@py39
- py39-six>0 : devel/py-six@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-numpy>=1.16,1<1.25,1 : math/py-numpy@py39
- py39-joblib>=0.9.4 : devel/py-joblib@py39
- py39-pandas>=0.19.2 : math/py-pandas@py39
- py39-scikit-learn>=0.18 : science/py-scikit-learn@py39
- py39-scipy>=0.17 : science/py-scipy@py39
- py39-six>0 : devel/py-six@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- There are no ports dependent upon this port
Configuration Options:- No options to configure
- Options name:
- science_py-oddt
- USES:
- python
- 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 |
|---|
0.7_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> |
0.7_2
23 Apr 2023 09:09:58
|
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
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) |
0.7_1
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  ) |
0.7_1
25 Mar 2022 17:28:34
|
Yuri Victorovich (yuri) |
science/py-oddt: Not install tests
PR: 262759
Reported by: se@ |
0.7
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
0.7
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
0.7
30 Jan 2021 13:29:58
 |
sunpoet |
Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+
PR: 250103 |
0.7
27 Dec 2019 05:12:21
|
yuri |
science/py-oddt: Update 0.6 -> 0.7
Reported by: portscout |
0.6_2
17 Dec 2019 13:33:40
|
antoine |
Unbreak bulk -a |
0.6_2
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 |
0.6_1
10 Apr 2019 06:18:32
|
antoine |
Bump a few PORTREVISIONs after r498529
With hat: portmgr |
0.6
09 Feb 2019 22:51:25
|
yuri |
New port: science/py-oddt: Open Drug Discovery Toolkit |
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