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science/chemicalfun: New port: C++ library for working with chemical reactions and formulas

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This commit is contained in:
Yuri Victorovich 2022-01-18 10:35:33 -08:00
parent b2d30443ea
commit 499a8f4525
5 changed files with 46 additions and 0 deletions
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1
science/Makefile
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@ -44,6 +44,7 @@
SUBDIR += cgribex
SUBDIR += checkmol
SUBDIR += chemical-mime-data
SUBDIR += chemicalfun
SUBDIR += chemps2
SUBDIR += chemtool
SUBDIR += chemtool-devel

22
science/chemicalfun/Makefile Normal file
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@ -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>

3
science/chemicalfun/distinfo Normal file
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@ -0,0 +1,3 @@
TIMESTAMP = 1642530020
SHA256 (chemicalfun-g20220104.tar.gz) = 2944e24ceda906511f7837ae29298d10aee47a0a9440f6955ff4be39899233c8
SIZE (chemicalfun-g20220104.tar.gz) = 931249

5
science/chemicalfun/pkg-descr Normal file
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@ -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/

15
science/chemicalfun/pkg-plist Normal file
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@ -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