diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2021-02-24 07:39:06 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2021-02-24 07:39:06 +0000 |
| commit | fb181fc51b0cbda9688d8eeafba9ca40fe7fc1d7 (patch) | |
| tree | a844ef709a3e0f5fc15ae1d3a2db788f5b26d530 /science/libecpint | |
| parent | a26d4c8c0cc1c2a28c8c7cdd37ab957606c067ed (diff) | |
| download | freebsd-ports-fb181fc51b0cbda9688d8eeafba9ca40fe7fc1d7.zip | |
New port: science/libecpint: Library for the evaluation of integrals over effective core potentials
Diffstat (limited to 'science/libecpint')
| -rw-r--r-- | science/libecpint/Makefile | 31 | ||||
| -rw-r--r-- | science/libecpint/distinfo | 3 | ||||
| -rw-r--r-- | science/libecpint/pkg-descr | 7 | ||||
| -rw-r--r-- | science/libecpint/pkg-plist | 35 |
4 files changed, 76 insertions, 0 deletions
diff --git a/science/libecpint/Makefile b/science/libecpint/Makefile new file mode 100644 index 000000000000..2023436d096a --- /dev/null +++ b/science/libecpint/Makefile @@ -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> diff --git a/science/libecpint/distinfo b/science/libecpint/distinfo new file mode 100644 index 000000000000..3aaebb5fcfde --- /dev/null +++ b/science/libecpint/distinfo @@ -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 diff --git a/science/libecpint/pkg-descr b/science/libecpint/pkg-descr new file mode 100644 index 000000000000..99e385a1f9cf --- /dev/null +++ b/science/libecpint/pkg-descr @@ -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 diff --git a/science/libecpint/pkg-plist b/science/libecpint/pkg-plist new file mode 100644 index 000000000000..45d1b03ff717 --- /dev/null +++ b/science/libecpint/pkg-plist @@ -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 |