BSD Portsscience/cdk 2.13 FreeBSD
Chemistry Development Kit
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
3ef97ace98- License
- LGPL21
- Categories
- science, java
- Package size
- 24494.2 KiB, 26585.6 KiB installed
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
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/cdk | 2.13 |
| DragonFly | science/cdk | 2.7.1 |
Install
Binary package:
pkg install cdk-chemistryFrom the ports tree:
cd /usr/ports/science/cdk/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= cdk-chemistry>0:science/cdkPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 2.7.1_3 | 2.7.1_3 | - | - | 2.13 |
| FreeBSD:14:quarterly | 2.7.1_3 | 2.7.1_3 | n/a | - | 2.7.1_3 |
| FreeBSD:15:latest | 2.7.1_3 | 2.13 | n/a | - | 2.7.1 |
| FreeBSD:15:quarterly | 2.7.1_3 | 2.7.1_3 | n/a | n/a | n/a |
| FreeBSD:16:latest | 2.7.1_3 | 2.13 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Build 1
maven>0: devel/maven
The full lists below include those, and their dependencies in turn.
Build dependencies 56
- archivers/brotli
- archivers/libdeflate
- archivers/liblz4
- archivers/zstd
- audio/alsa-lib
- converters/libiconv
- devel/gettext-runtime
- devel/glib20
- devel/libffi
- devel/libinotify
- devel/maven
- devel/maven-wrapper
- devel/pcre2
- devel/py-packaging
- devel/readline
- graphics/giflib
- graphics/graphite2
- graphics/jbigkit
- graphics/jpeg-turbo
- graphics/lcms2
- graphics/lerc
- graphics/png
- graphics/tiff
- java/javavmwrapper
- java/openjdk17
- java/openjdk21
- lang/python312
- lang/python315
- math/mpdecimal
- print/freetype2
- print/harfbuzz
- print/indexinfo
- textproc/expat2
- x11-fonts/dejavu
- x11-fonts/encodings
- x11-fonts/font-bh-ttf
- x11-fonts/font-misc-ethiopic
- x11-fonts/font-misc-meltho
- x11-fonts/fontconfig
- x11-fonts/libfontenc
- x11-fonts/mkfontscale
- x11-fonts/xorg-fonts-truetype
- x11-toolkits/libXt
- x11/libICE
- x11/libSM
- x11/libX11
- x11/libXau
- x11/libXdmcp
- x11/libXext
- x11/libXfixes
- x11/libXi
- x11/libXrandr
- x11/libXrender
- x11/libXtst
- x11/libxcb
- x11/xorgproto
Run dependencies 53
- archivers/brotli
- archivers/libdeflate
- archivers/liblz4
- archivers/zstd
- audio/alsa-lib
- converters/libiconv
- devel/gettext-runtime
- devel/glib20
- devel/libffi
- devel/libinotify
- devel/pcre2
- devel/py-packaging
- devel/readline
- graphics/giflib
- graphics/graphite2
- graphics/jbigkit
- graphics/jpeg-turbo
- graphics/lcms2
- graphics/lerc
- graphics/png
- graphics/tiff
- java/javavmwrapper
- java/openjdk17
- lang/python312
- lang/python315
- math/mpdecimal
- print/freetype2
- print/harfbuzz
- print/indexinfo
- textproc/expat2
- x11-fonts/dejavu
- x11-fonts/encodings
- x11-fonts/font-bh-ttf
- x11-fonts/font-misc-ethiopic
- x11-fonts/font-misc-meltho
- x11-fonts/fontconfig
- x11-fonts/libfontenc
- x11-fonts/mkfontscale
- x11-fonts/xorg-fonts-truetype
- x11-toolkits/libXt
- x11/libICE
- x11/libSM
- x11/libX11
- x11/libXau
- x11/libXdmcp
- x11/libXext
- x11/libXfixes
- x11/libXi
- x11/libXrandr
- x11/libXrender
- x11/libXtst
- x11/libxcb
- x11/xorgproto
No port depends on this one.
Configuration
No options to configure.
- USES
- java
- Service scripts
- none
Files
distinfo 2
| File | Size | SHA256 |
|---|---|---|
| cdk-2.13-deps.tar.gz | 7.6995599e+07 | 21fcef660d724c84568baee0b26d5acb170c958f72d7dce692f188a7f34bbfb9 |
| cdk-cdk-cdk-2.13_GH0.tar.gz | 2.2994581e+07 | 670f85a678ad9d63449079d9abb961db6c5b24c05391fd2f4125e27dd64886c3 |