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Mon, 17 Jan 2022 05:15:15 GMT (envelope-from git) Date: Mon, 17 Jan 2022 05:15:15 GMT Message-Id: <202201170515.20H5FFvO022012@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: b0b0f2af9878 - main - science/libnegf: New port: Non Equilibrium Green's Functions library 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: b0b0f2af9878f8a734c23641447e9f8a9e99e1fb Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; 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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=b0b0f2af9878f8a734c23641447e9f8a9e99e1fb commit b0b0f2af9878f8a734c23641447e9f8a9e99e1fb Author: Yuri Victorovich AuthorDate: 2022-01-17 05:14:31 +0000 Commit: Yuri Victorovich CommitDate: 2022-01-17 05:15:12 +0000 science/libnegf: New port: Non Equilibrium Green's Functions library --- science/Makefile | 1 + science/libnegf/Makefile | 21 +++++++++++++++++++++ science/libnegf/distinfo | 3 +++ science/libnegf/pkg-descr | 7 +++++++ science/libnegf/pkg-plist | 41 +++++++++++++++++++++++++++++++++++++++++ 5 files changed, 73 insertions(+) diff --git a/science/Makefile b/science/Makefile index 1c98e66d2174..b15f99a38212 100644 --- a/science/Makefile +++ b/science/Makefile @@ -137,6 +137,7 @@ SUBDIR += liblinear SUBDIR += libmbd SUBDIR += libmsym + SUBDIR += libnegf SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm diff --git a/science/libnegf/Makefile b/science/libnegf/Makefile new file mode 100644 index 000000000000..1a2a8e897a50 --- /dev/null +++ b/science/libnegf/Makefile @@ -0,0 +1,21 @@ +PORTNAME= libnegf +DISTVERSIONPREFIX= v +DISTVERSION= 1.0.3 +CATEGORIES= science # chemistry + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Non Equilibrium Green's Functions library + +LICENSE= MPL20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libopenblas.so:math/openblas + +USES= cmake:testing fortran python:build +USE_GITHUB= yes + +CMAKE_ON= BUILD_SHARED_LIBS + +BINARY_ALIAS= python=${PYTHON_CMD} python3=${PYTHON_CMD} + +.include diff --git a/science/libnegf/distinfo b/science/libnegf/distinfo new file mode 100644 index 000000000000..05140d5c087a --- /dev/null +++ b/science/libnegf/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1642394432 +SHA256 (libnegf-libnegf-v1.0.3_GH0.tar.gz) = 2b2ebf583f793511b763c80d903ce5fb836ad34ee43aec691440b3a98de6b5b6 +SIZE (libnegf-libnegf-v1.0.3_GH0.tar.gz) = 1575091 diff --git a/science/libnegf/pkg-descr b/science/libnegf/pkg-descr new file mode 100644 index 000000000000..d30feef9b7da --- /dev/null +++ b/science/libnegf/pkg-descr @@ -0,0 +1,7 @@ +libNEGF is a general library for Non Equilibrium Green's Functions. + +With libNEGF you can calculate Equilibrium and Non Equilibrium Green's +Function in open systems and related quantities, within an efficient +sparse iterative scheme. + +WWW: https://github.com/libnegf/libnegf diff --git a/science/libnegf/pkg-plist b/science/libnegf/pkg-plist new file mode 100644 index 000000000000..6ebcebbae9a0 --- /dev/null +++ b/science/libnegf/pkg-plist @@ -0,0 +1,41 @@ +include/libnegf.h +include/libnegf.hpp +include/libnegf/modfiles/clock.mod +include/libnegf/modfiles/complexbands.mod +include/libnegf/modfiles/contselfenergy.mod +include/libnegf/modfiles/distributions.mod +include/libnegf/modfiles/elph.mod +include/libnegf/modfiles/elphdb.mod +include/libnegf/modfiles/elphdd.mod +include/libnegf/modfiles/elphds.mod +include/libnegf/modfiles/energy_mesh.mod +include/libnegf/modfiles/globals.mod +include/libnegf/modfiles/input_output.mod +include/libnegf/modfiles/integrations.mod +include/libnegf/modfiles/interactions.mod +include/libnegf/modfiles/inversions.mod +include/libnegf/modfiles/iterative.mod +include/libnegf/modfiles/lib_param.mod +include/libnegf/modfiles/libnegf.mod +include/libnegf/modfiles/libnegfapicommon.mod +include/libnegf/modfiles/ln_allocation.mod +include/libnegf/modfiles/ln_cache.mod +include/libnegf/modfiles/ln_constants.mod +include/libnegf/modfiles/ln_extract.mod +include/libnegf/modfiles/ln_precision.mod +include/libnegf/modfiles/ln_structure.mod +include/libnegf/modfiles/load.mod +include/libnegf/modfiles/mat_def.mod +include/libnegf/modfiles/mpi_globals.mod +include/libnegf/modfiles/outmatrix.mod +include/libnegf/modfiles/phph.mod +include/libnegf/modfiles/population.mod +include/libnegf/modfiles/rcm_module.mod +include/libnegf/modfiles/sparsekit_drv.mod +include/libnegf/modfiles/system_calls.mod +include/lnParams.h +lib/cmake/negf/negf-config-version.cmake +lib/cmake/negf/negf-config.cmake +lib/cmake/negf/negf-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/negf/negf-targets.cmake +lib/libnegf.so