| Port details |
- cdk Chemistry Development Kit
- 2.7.1 science
 =2      2.7.1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2020-01-09 16:48:26
- Last Update: 2024-12-31 08:57:55
- Commit Hash: 0835676
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- Also Listed In: java
- License: LGPL21
- WWW:
- https://cdk.github.io/
- Description:
- The CDK is an open-source Java software for cheminformatics and bioinformatics.
Key Features:
* Molecule and reaction valence bond representation.
* Read and write file formats: SMILES, SDF, InChI, Mol2, CML, and others.
* Efficient molecule processing algorithms: Ring Finding, Kekulisation, Aromaticity.
* Coordinate generation and rendering.
* Canonical identifiers for fast exact searching.
* Substructure and SMARTS pattern searching.
* ECFP, Daylight, MACCS, and other fingerprint methods for similarity searching.
* QSAR descriptor calculations
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- cdk-chemistry>0:science/cdk
- To install the port:
- cd /usr/ports/science/cdk/ && make install clean
- To add the package, run one of these commands:
- pkg install science/cdk
- pkg install cdk-chemistry
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: cdk-chemistry
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1654274712
SHA256 (cdk-2.7.1-deps.tar.gz) = 14e0bd12dcb6fd9d7eb4c663618f37757d141bd97dc682cff76e383769d3072b
SIZE (cdk-2.7.1-deps.tar.gz) = 50172048
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:
-
- maven>0 : devel/maven
- java : java/openjdk17
- Runtime dependencies:
-
- java : java/openjdk17
- There are no ports dependent upon this port
Configuration Options:- No options to configure
- Options name:
- science_cdk
- USES:
- java
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
Number of commits found: 8
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
2.7.1
31 Dec 2024 08:57:55
 |
Muhammad Moinur Rahman (bofh) |
Mk/**java.mk: Convert bsd.java.mk to USES
The following features have been added or changed:
- Instead of USE_JAVA use USES=java. This defaults to
USES=java:build,run if NO_BUILD is undefined. Else it defaults to
USES=java:run
- Instead of USE_ANT=yes use USES=java:ant which also implies
USES=java:build
- Instead of JAVA_BUILD=yes use USES=java:build. Does not imply run or
extract
- Instead of JAVA_EXTRACT=yes use USES=java:extract does not imply
build or run
- Instead of JAVA_RUN=yes use USES=java:run does not imply extract or
build
- Instead of USE_JAVA=<version> use USES=java and JAVA_VERSION=<version>
Approved by: mat (portmgr), glewis
Differential Revision: https://reviews.freebsd.org/D48201 |
2.7.1
11 Mar 2024 09:09:45
|
Michael Osipov (michaelo) |
*/*: properly depend on Maven package
devel/maven and devel/maven39 do not provide mvn(1) from LOCALBASE that
one comes from devel/maven-wrapper instead. Therefore, one should depend
on the package rather than a non-existing executable/script.
Approved by: jrm (mentor), otis (mentor), vvd
Differential Revision: https://reviews.freebsd.org/D44229 |
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) |
2.7.1
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  ) |
2.7.1
03 Jun 2022 16:49:16
|
Yuri Victorovich (yuri) |
science/cdk: Update 2.3 -> 2.7.1
Also change to Java-17 to prevent Java crash on aarch64.
Reported by: fallout (Java crash on aarch64) |
2.3
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
2.3
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
2.3
09 Jan 2020 16:48:21
 |
yuri |
New port: science/cdk: Chemistry Development Kit |
Number of commits found: 8
|
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