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

5 files changed, 73 insertions, 0 deletions

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 <bsd.port.mk>
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