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(8.16.1/8.16.1) with ESMTP id 26HK4Ehx020188; Sun, 17 Jul 2022 20:04:14 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 26HK4EAq020187; Sun, 17 Jul 2022 20:04:14 GMT (envelope-from git) Date: Sun, 17 Jul 2022 20:04:14 GMT Message-Id: <202207172004.26HK4EAq020187@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: 9a53618eaaf6 - main - science/chemicalfun: Update g20220104 -> 0.1.3 List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@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: 9a53618eaaf684f697a85a81090acb6d713eb16e Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1658088254; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=qfz9ol6BtX+IaYed8xNZbVAQHZdvXJSqkBtevYMndc4=; b=lQPFyQzDUkWOTpdelgHwdretuJDCwctj1/YNQw9OfdLpHVJ4ldyFb5y4ntpARjUumvz2Lx QSFTep6c+aAVuvAjJoBA0EOOgWVKyLzelo+y+Vt+2OxlEKvAxlS7u+8zZsKQc6dJ+01G0K U0+fx4BqNb9Fq/k5oqweDx9RE717ytg8mbKm8vH9hGgiJOrGJjbpRrM+aDSSG4g93LergZ rV6iC+glMFrDgj1yz59PJkk9eZc5TMTTamDTsghkLBW3eHYxoAUpeA7zVC0rYAYj0NDx0y OVSEEKHr4jHsxAEWxGbiH513WiI0nmDFPbn4Ibvwimd94OJXz0FhM1Kcznv6tA== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1658088254; a=rsa-sha256; cv=none; b=E3HyymxtV8pVX6T6FSt9OswGgWNO5NDRl8+c/63HmoHa+yliLiczpIct3lJaogapdDrp3r Xg3ZMgCAY8AR6XXAf0mNVXri860oMJInYM0COUaKOKJHzpNqVsxa8Rwd14XQiwdj77pQa+ vj85fuim9PbotDlfKwwfADkLzJQV1WenI3VM5qrZMbgZEOZlhlV5VeXY3QpIGSUoWwWn5t RI8UWkAcGSM+IWwXTHCDk5pz/R+SLF2yTmB4gTUdJ0YcPRVM/MKekAKjZmNLeXZOBxypGh dxq3n60qtnnI0BaDqOuwktC0tpRKKxn/uRAfz+SydjGrtUQzA7I5zeQSo6ESTw== ARC-Authentication-Results: i=1; mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=9a53618eaaf684f697a85a81090acb6d713eb16e commit 9a53618eaaf684f697a85a81090acb6d713eb16e Author: Yuri Victorovich AuthorDate: 2022-07-17 19:44:52 +0000 Commit: Yuri Victorovich CommitDate: 2022-07-17 20:04:09 +0000 science/chemicalfun: Update g20220104 -> 0.1.3 --- science/chemicalfun/Makefile | 35 ++++++++++++++++++---- science/chemicalfun/distinfo | 6 ++-- .../files/patch-python_chemicalfun_CMakeLists.txt | 11 +++++++ science/chemicalfun/files/test.py | 15 ++++++++++ science/chemicalfun/pkg-plist | 4 +++ 5 files changed, 63 insertions(+), 8 deletions(-) diff --git a/science/chemicalfun/Makefile b/science/chemicalfun/Makefile index 82cf71740a37..c1735a1cde79 100644 --- a/science/chemicalfun/Makefile +++ b/science/chemicalfun/Makefile @@ -1,5 +1,5 @@ PORTNAME= chemicalfun -DISTVERSION= g20220104 +DISTVERSION= 0.1.3 CATEGORIES= science # chemistry MASTER_SITES= https://bitbucket.org/${BB_ACCOUNT}/${PORTNAME}/get/${BB_COMMIT}${EXTRACT_SUFX}?dummy=/:src DISTFILES= ${PORTNAME}-${DISTVERSION}${EXTRACT_SUFX}:src @@ -7,16 +7,41 @@ 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 +BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json \ + spdlog>0:devel/spdlog +LIB_DEPENDS= libfmt.so:devel/libfmt # due to SPDLOG_FMT_EXTERNAL -USES= cmake:testing eigen:3 +USES= cmake:testing compiler:c++17-lang eigen:3 localbase BB_ACCOUNT= gems4 -BB_COMMIT= dd673f906517 +BB_COMMIT= 0e0edc84688c 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 +CMAKE_TESTING_TARGET= ${ALL_TARGET} # hack to prevent test run + +CXXFLAGS+= -DSPDLOG_FMT_EXTERNAL # see https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=258073#c3 +LDFLAGS+= -L${LOCALBASE}/lib -lfmt # due to SPDLOG_FMT_EXTERNAL + +OPTIONS_DEFINE= PYTHON +OPTIONS_DEFAULT= PYTHON +OPTIONS_SUB= yes + +PYTHON_USES= python +PYTHON_CMAKE_BOOL= CHEMICALFUN_BUILD_PYTHON +PYTHON_CMAKE_ON= -DFREEBSD_STAGEDIR=${STAGEDIR} +PYTHON_BUILD_DEPENDS= pybind11>0:devel/pybind11 + +post-install-PYTHON-on: + @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/chemicalfun/PyChemicalFun${PYTHON_EXT_SUFFIX}.so + +post-test: + @${ECHO} "==> run C++ tests" + @cd ${TEST_WRKSRC} && ${SETENV} ${TEST_ENV} tests/test_main + +post-test-PYTHON-on: + @${ECHO} "==> run Python tests" + @cd ${TEST_WRKSRC} && ${SETENV} ${TEST_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} ${PYTHON_CMD} ${FILESDIR}/test.py .include diff --git a/science/chemicalfun/distinfo b/science/chemicalfun/distinfo index 00b9fb8a00e8..3f99e7f4d4e8 100644 --- a/science/chemicalfun/distinfo +++ b/science/chemicalfun/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1642530020 -SHA256 (chemicalfun-g20220104.tar.gz) = 2944e24ceda906511f7837ae29298d10aee47a0a9440f6955ff4be39899233c8 -SIZE (chemicalfun-g20220104.tar.gz) = 931249 +TIMESTAMP = 1658079527 +SHA256 (chemicalfun-0.1.3.tar.gz) = ad6cbd46bb75fe5811f4fcae7966d7717bf30f4f0f4749783e09a9f53780e6e6 +SIZE (chemicalfun-0.1.3.tar.gz) = 933523 diff --git a/science/chemicalfun/files/patch-python_chemicalfun_CMakeLists.txt b/science/chemicalfun/files/patch-python_chemicalfun_CMakeLists.txt new file mode 100644 index 000000000000..1153bd6914ff --- /dev/null +++ b/science/chemicalfun/files/patch-python_chemicalfun_CMakeLists.txt @@ -0,0 +1,11 @@ +--- python/chemicalfun/CMakeLists.txt.orig 2022-07-17 18:29:23 UTC ++++ python/chemicalfun/CMakeLists.txt +@@ -43,7 +43,7 @@ install(CODE + endif() + + execute_process( +- COMMAND ${PYTHON_EXECUTABLE} ${SETUP_PY} install --prefix=\${CHEMICALFUN_PYTHON_INSTALL_PREFIX_NATIVE} ++ COMMAND ${PYTHON_EXECUTABLE} ${SETUP_PY} install --root=${FREEBSD_STAGEDIR} --prefix=\${CHEMICALFUN_PYTHON_INSTALL_PREFIX_NATIVE} + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) + " + ) diff --git a/science/chemicalfun/files/test.py b/science/chemicalfun/files/test.py new file mode 100644 index 000000000000..b9e1b5abc8b1 --- /dev/null +++ b/science/chemicalfun/files/test.py @@ -0,0 +1,15 @@ +# test from README + +import chemicalfun as cf + +formulas = ['Ca+2', 'CO3-2', 'H+', 'OH-', 'HCO3-', 'CaCO3', 'H2O'] + +chemicalReactions = cf.ChemicalReactions(formulas) + +reactions = chemicalReactions.generateReactions() # returns the reactions list as a list of tuples ('substance', coefficient) + +# can be transformed to a list of dictionaries, with reaction substances as keys and the reaction coefficients as values +reactions_dic = [{el[0]: el[1] for el in r} for r in reactions] + +print(chemicalReactions.printReactions()) +print(reactions_dic) diff --git a/science/chemicalfun/pkg-plist b/science/chemicalfun/pkg-plist index 9423b34945f4..62c64e17f309 100644 --- a/science/chemicalfun/pkg-plist +++ b/science/chemicalfun/pkg-plist @@ -13,3 +13,7 @@ lib/cmake/ChemicalFun/ChemicalFunConfigVersion.cmake lib/cmake/ChemicalFun/ChemicalFunTargets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/ChemicalFun/ChemicalFunTargets.cmake lib/libChemicalFun.so +%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun/PyChemicalFun%%PYTHON_EXT_SUFFIX%%.so +%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun/__init__.py +%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.pyc +%%PYTHON%%%%PYTHON_SITELIBDIR%%/chemicalfun-0.1.3-py%%PYTHON_VER%%.egg-info