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science/libnegf: New port: Non Equilibrium Green's Functions library

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This commit is contained in:
Yuri Victorovich 2022-01-16 21:14:31 -08:00
parent 9d5d7aa9ab
commit b0b0f2af98
5 changed files with 73 additions and 0 deletions
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1
science/Makefile
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@ -137,6 +137,7 @@
SUBDIR += liblinear
SUBDIR += libmbd
SUBDIR += libmsym
SUBDIR += libnegf
SUBDIR += liboglappth
SUBDIR += libquantum
SUBDIR += libssm

21
science/libnegf/Makefile Normal file
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@ -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 <bsd.port.mk>

3
science/libnegf/distinfo Normal file
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@ -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

7
science/libnegf/pkg-descr Normal file
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@ -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

41
science/libnegf/pkg-plist Normal file
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@ -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