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Tue, 18 Jan 2022 18:42:56 GMT (envelope-from git) Date: Tue, 18 Jan 2022 18:42:56 GMT Message-Id: <202201181842.20IIguJv031087@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: 499a8f4525f3 - main - science/chemicalfun: New port: C++ library for working with chemical reactions and formulas List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: 499a8f4525f35eb8ecbc02accb45f97d418fd15c Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; 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mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=499a8f4525f35eb8ecbc02accb45f97d418fd15c commit 499a8f4525f35eb8ecbc02accb45f97d418fd15c Author: Yuri Victorovich AuthorDate: 2022-01-18 18:35:33 +0000 Commit: Yuri Victorovich CommitDate: 2022-01-18 18:42:45 +0000 science/chemicalfun: New port: C++ library for working with chemical reactions and formulas --- science/Makefile | 1 + science/chemicalfun/Makefile | 22 ++++++++++++++++++++++ science/chemicalfun/distinfo | 3 +++ science/chemicalfun/pkg-descr | 5 +++++ science/chemicalfun/pkg-plist | 15 +++++++++++++++ 5 files changed, 46 insertions(+) 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 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