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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2020-01-09 16:48:21 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2020-01-09 16:48:21 +0000 |
| commit | 34506c3888af23944c86ed23b40d1a7be42130f2 (patch) | |
| tree | 4e936f0dd822fc36e27fa2559cde60f4daac002a /science/cdk | |
| parent | 333c24d6103cdc88dd8a1448cd769938b846b80d (diff) | |
| download | ports-34506c3888af23944c86ed23b40d1a7be42130f2.tar.gz ports-34506c3888af23944c86ed23b40d1a7be42130f2.zip | |
New port: science/cdk: Chemistry Development Kit
Notes
Notes:
svn path=/head/; revision=522497
Diffstat (limited to 'science/cdk')
| -rw-r--r-- | science/cdk/Makefile | 54 | ||||
| -rw-r--r-- | science/cdk/distinfo | 5 | ||||
| -rw-r--r-- | science/cdk/pkg-descr | 13 |
3 files changed, 72 insertions, 0 deletions
diff --git a/science/cdk/Makefile b/science/cdk/Makefile new file mode 100644 index 000000000000..6aa6cdeb61fe --- /dev/null +++ b/science/cdk/Makefile @@ -0,0 +1,54 @@ +# $FreeBSD$ + +PORTNAME= cdk +DISTVERSIONPREFIX= cdk- +DISTVERSION= 2.3 +CATEGORIES= science java +PKGNAMESUFFIX= -chemistry + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Chemistry Development Kit + +LICENSE= LGPL21 +LICENSE_FILE= ${WRKSRC}/LICENSE.txt + +BUILD_DEPENDS= mvn:devel/maven + +USE_JAVA= yes +USE_GITHUB= yes + +NO_ARCH= yes + +PLIST_FILES= ${JAVAJARDIR}/${PORTNAME}-${PORTVERSION}.jar + +# to rebuild the deps archive: +# 1. set DEV_UPDATE_MODE=yes +# 2. make makesum build +# 3. upload the *-deps archive +# 4. set DEV_UPDATE_MODE=no +# 5. make clean makesum + +DEV_UPDATE_MODE= no + +.if (${DEV_UPDATE_MODE} == "yes") +post-build: + @cd ${WRKDIR} && ${TAR} czf ${DISTDIR}/${PORTNAME}-${DISTVERSION}-deps${EXTRACT_SUFX} .m2 + @${ECHO} "(!!!) Please upload the deps archive: ${DISTDIR}/${PORTNAME}-${DISTVERSION}-deps${EXTRACT_SUFX}" +.else +MASTER_SITES+= LOCAL/yuri/:deps +DISTFILES+= ${PORTNAME}-${DISTVERSION}-deps${EXTRACT_SUFX}:deps +MVN_ARGS= --offline +.endif + +do-build: + @cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} \ + ${LOCALBASE}/bin/mvn ${MVN_ARGS} \ + -fae install \ + -Dmaven.test.skip=true \ + -Duser.home=${WRKDIR} \ + install + +do-install: + ${INSTALL_DATA} ${WRKSRC}/bundle/target/${PORTNAME}-${PORTVERSION}.jar ${STAGEDIR}${JAVAJARDIR}/${PORTNAME}-${PORTVERSION}.jar + +.include <bsd.port.mk> diff --git a/science/cdk/distinfo b/science/cdk/distinfo new file mode 100644 index 000000000000..0b8d90bb182f --- /dev/null +++ b/science/cdk/distinfo @@ -0,0 +1,5 @@ +TIMESTAMP = 1578560238 +SHA256 (cdk-2.3-deps.tar.gz) = d3df87bc95d2302f92b60bc1e6fd5172c341aae2f831f263f6508de2f31bcf99 +SIZE (cdk-2.3-deps.tar.gz) = 63038171 +SHA256 (cdk-cdk-cdk-2.3_GH0.tar.gz) = 169772895f6d49c5a66e32da059e1d63f5cd77aa3ffdeed4942dcd76eb8d399d +SIZE (cdk-cdk-cdk-2.3_GH0.tar.gz) = 26499872 diff --git a/science/cdk/pkg-descr b/science/cdk/pkg-descr new file mode 100644 index 000000000000..91b69937c2d0 --- /dev/null +++ b/science/cdk/pkg-descr @@ -0,0 +1,13 @@ +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 + +WWW: https://cdk.github.io/ |