mirror/freebsd-ports
1
0
Fork 0
mirror of https://git.FreeBSD.org/ports.git synced 2024-10-19 19:59:43 +00:00
Code Issues Releases Activity

New port: science/libecpint: Library for the evaluation of integrals over effective core potentials

Browse Source
This commit is contained in:
Yuri Victorovich 2021-02-24 07:39:06 +00:00
parent a26d4c8c0c
commit fb181fc51b
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=566452
5 changed files with 77 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
science/Makefile
View File

@ -121,6 +121,7 @@
SUBDIR += libccp4
SUBDIR += libcint
SUBDIR += libctl
SUBDIR += libecpint
SUBDIR += libefp
SUBDIR += libgeodecomp
SUBDIR += libghemical

31
science/libecpint/Makefile Normal file
View File

@ -0,0 +1,31 @@
# $FreeBSD$
PORTNAME= libecpint
DISTVERSIONPREFIX= v
DISTVERSION= 1.0.5
CATEGORIES= science devel
MAINTAINER= yuri@FreeBSD.org
COMMENT= Library for the evaluation of integrals over effective core potentials
LICENSE= MIT
LICENSE_FILE= ${WRKSRC}/LICENSE
LIB_DEPENDS= libpugixml.so:textproc/pugixml
USES= cmake compiler:c++11-lang
USE_LDCONFIG= yes
USE_GITHUB= yes
GH_ACCOUNT= robashaw
CMAKE_ON= BUILD_SHARED_LIBS
CMAKE_OFF= LIBECPINT_BUILD_TESTS LIBECPINT_BUILD_DOCS
do-test:
@cd ${BUILD_WRKSRC} && \
${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DLIBECPINT_BUILD_TESTS:BOOL=ON ${CMAKE_SOURCE_PATH} && \
${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \
ctest
.include <bsd.port.mk>

3
science/libecpint/distinfo Normal file
View File

@ -0,0 +1,3 @@
TIMESTAMP = 1614151277
SHA256 (robashaw-libecpint-v1.0.5_GH0.tar.gz) = 3ad5ff342b1bc870f5992c296e8bd8aa590c21a9b14333958c601f8916d6f532
SIZE (robashaw-libecpint-v1.0.5_GH0.tar.gz) = 1313876

7
science/libecpint/pkg-descr Normal file
View File

@ -0,0 +1,7 @@
Libecpint is a C++ library for the efficient evaluation of integrals over
ab initio effective core potentials, using a mixture of generated, recursive
code and Gauss-Chebyshev quadrature. It is designed to be standalone and
generic, and is now in its first stable release. If you experience any problems
please raise an issue here; contributions and suggestions are also welcome.
WWW: https://github.com/robashaw/libecpint

35
science/libecpint/pkg-plist Normal file
View File

@ -0,0 +1,35 @@
include/libecpint.hpp
include/libecpint/angular.hpp
include/libecpint/api.hpp
include/libecpint/bessel.hpp
include/libecpint/config.hpp
include/libecpint/config.hpp.in
include/libecpint/ecp.hpp
include/libecpint/ecpint.hpp
include/libecpint/gaussquad.hpp
include/libecpint/gshell.hpp
include/libecpint/mathutil.hpp
include/libecpint/multiarr.hpp
include/libecpint/qgen.hpp
include/libecpint/radial.hpp
lib/cmake/ecpint/ecpint-config-version.cmake
lib/cmake/ecpint/ecpint-config.cmake
lib/cmake/ecpint/ecpint-targets-%%CMAKE_BUILD_TYPE%%.cmake
lib/cmake/ecpint/ecpint-targets.cmake
lib/libFaddeeva.so
lib/libFaddeeva.so.1
lib/libecpint.so
lib/libecpint.so.1
%%DATADIR%%/parseecp.py
%%DATADIR%%/raw/ecp10mdf.ecp
%%DATADIR%%/raw/ecp28mdf.ecp
%%DATADIR%%/raw/ecp46mdf.ecp
%%DATADIR%%/raw/ecp60mdf.ecp
%%DATADIR%%/raw/ecp78mdf.ecp
%%DATADIR%%/raw/lanl2dz.ecp
%%DATADIR%%/xml/ecp10mdf.xml
%%DATADIR%%/xml/ecp28mdf.xml
%%DATADIR%%/xml/ecp46mdf.xml
%%DATADIR%%/xml/ecp60mdf.xml
%%DATADIR%%/xml/ecp78mdf.xml
%%DATADIR%%/xml/lanl2dz.xml