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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-18 18:35:33 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-18 18:42:45 +0000 |
| commit | 499a8f4525f35eb8ecbc02accb45f97d418fd15c (patch) | |
| tree | dd765370193af672ac8c08ec3d57f5b293c157fd | |
| parent | b2d30443ea2020da0f6b5d4178332027e7b6a553 (diff) | |
| download | ports-499a8f4525f35eb8ecbc02accb45f97d418fd15c.tar.gz ports-499a8f4525f35eb8ecbc02accb45f97d418fd15c.zip | |
science/chemicalfun: New port: C++ library for working with chemical reactions and formulas
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/chemicalfun/Makefile | 22 | ||||
| -rw-r--r-- | science/chemicalfun/distinfo | 3 | ||||
| -rw-r--r-- | science/chemicalfun/pkg-descr | 5 | ||||
| -rw-r--r-- | science/chemicalfun/pkg-plist | 15 |
5 files changed, 46 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 7544e8b3641e..ba1d4a70bcf9 100644 --- a/science/Makefile +++ b/science/Makefile @@ -44,6 +44,7 @@ SUBDIR += cgribex SUBDIR += checkmol SUBDIR += chemical-mime-data + SUBDIR += chemicalfun SUBDIR += chemps2 SUBDIR += chemtool SUBDIR += chemtool-devel diff --git a/science/chemicalfun/Makefile b/science/chemicalfun/Makefile new file mode 100644 index 000000000000..82cf71740a37 --- /dev/null +++ b/science/chemicalfun/Makefile @@ -0,0 +1,22 @@ +PORTNAME= chemicalfun +DISTVERSION= g20220104 +CATEGORIES= science # chemistry +MASTER_SITES= https://bitbucket.org/${BB_ACCOUNT}/${PORTNAME}/get/${BB_COMMIT}${EXTRACT_SUFX}?dummy=/:src +DISTFILES= ${PORTNAME}-${DISTVERSION}${EXTRACT_SUFX}:src + +MAINTAINER= yuri@FreeBSD.org +COMMENT= C++ library for working with chemical reactions and formulas + +BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json + +USES= cmake:testing eigen:3 + +BB_ACCOUNT= gems4 +BB_COMMIT= dd673f906517 + +WRKSRC= ${WRKDIR}/${BB_ACCOUNT}-${PORTNAME}-${BB_COMMIT} + +CMAKE_OFF= CHEMICALFUN_BUILD_PYTHON +CMAKE_TESTING_ON= CHEMICALFUN_BUILD_TESTS # tests fail to compile, BitBucket offers no easy way to report this + +.include <bsd.port.mk> diff --git a/science/chemicalfun/distinfo b/science/chemicalfun/distinfo new file mode 100644 index 000000000000..00b9fb8a00e8 --- /dev/null +++ b/science/chemicalfun/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1642530020 +SHA256 (chemicalfun-g20220104.tar.gz) = 2944e24ceda906511f7837ae29298d10aee47a0a9440f6955ff4be39899233c8 +SIZE (chemicalfun-g20220104.tar.gz) = 931249 diff --git a/science/chemicalfun/pkg-descr b/science/chemicalfun/pkg-descr new file mode 100644 index 000000000000..7fcf96a2a48a --- /dev/null +++ b/science/chemicalfun/pkg-descr @@ -0,0 +1,5 @@ +ChemicalFun is a C++ library (Python and C++ API) for generating +balanced chemical reactions and for parsing and calculating properties +of chemical formulas. + +WWW: https://bitbucket.org/gems4/chemicalfun/src/master/ diff --git a/science/chemicalfun/pkg-plist b/science/chemicalfun/pkg-plist new file mode 100644 index 000000000000..9423b34945f4 --- /dev/null +++ b/science/chemicalfun/pkg-plist @@ -0,0 +1,15 @@ +include/ChemicalFun/FormulaParser.h +include/ChemicalFun/FormulaParser/ChemicalData.h +include/ChemicalFun/FormulaParser/ChemicalFormulaParser.h +include/ChemicalFun/FormulaParser/MoietyParser.h +include/ChemicalFun/ReactionsGenerator.h +include/ChemicalFun/ReactionsGenerator/ChemicalReactions.h +include/ChemicalFun/ReactionsGenerator/Combiner.h +include/ChemicalFun/ReactionsGenerator/Generator.h +include/ChemicalFun/ReactionsGenerator/MatrixUtils.h +include/ChemicalFun/ReactionsGenerator/Reaction.h +lib/cmake/ChemicalFun/ChemicalFunConfig.cmake +lib/cmake/ChemicalFun/ChemicalFunConfigVersion.cmake +lib/cmake/ChemicalFun/ChemicalFunTargets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/ChemicalFun/ChemicalFunTargets.cmake +lib/libChemicalFun.so |