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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-09-03 17:51:32 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-09-03 17:51:32 +0000 |
| commit | 0e2e493ea3471a9b2ad3cc5b48cffa31ea3bf25f (patch) | |
| tree | 31bbef0686d97d1aa20ab47ac518c6f5940a344c /science/siesta | |
| parent | dd4c7e36aca93d9b1fe5a1f9dc40a041a28e1bd3 (diff) | |
| download | ports-0e2e493ea3471a9b2ad3cc5b48cffa31ea3bf25f.tar.gz ports-0e2e493ea3471a9b2ad3cc5b48cffa31ea3bf25f.zip | |
New port: science/siesta: Program to perform efficient electronic structure calculations
Notes
Notes:
svn path=/head/; revision=478886
Diffstat (limited to 'science/siesta')
| -rw-r--r-- | science/siesta/Makefile | 34 | ||||
| -rw-r--r-- | science/siesta/distinfo | 3 | ||||
| -rw-r--r-- | science/siesta/pkg-descr | 10 |
3 files changed, 47 insertions, 0 deletions
diff --git a/science/siesta/Makefile b/science/siesta/Makefile new file mode 100644 index 000000000000..5932d9e57e8d --- /dev/null +++ b/science/siesta/Makefile @@ -0,0 +1,34 @@ +# $FreeBSD$ + +PORTNAME= siesta +DISTVERSION= 4.0.2 +CATEGORIES= science +MASTER_SITES= https://launchpad.net/${PORTNAME}/${DISTVERSION:R}/${DISTVERSION}/+download/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Program to perform efficient electronic structure calculations + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/../COPYING + +LIB_DEPENDS= libblas.so:math/blas \ + liblapack.so:math/lapack + +USES= fortran gmake localbase:ldflags +GNU_CONFIGURE= yes +CONFIGURE_SCRIPT= ../Src/configure +ALL_TARGET= default + +WRKSRC_SUBDIR= Obj + +MAKE_JOBS_UNSAFE= yes + +PLIST_FILES= bin/${PORTNAME} + +pre-configure: + @cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ${SH} ../Src/obj_setup.sh + +do-install: + ${INSTALL_PROGRAM} ${WRKSRC}/${PORTNAME} ${STAGEDIR}${PREFIX}/bin + +.include <bsd.port.mk> diff --git a/science/siesta/distinfo b/science/siesta/distinfo new file mode 100644 index 000000000000..8a520fd4135f --- /dev/null +++ b/science/siesta/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1535956967 +SHA256 (siesta-4.0.2.tar.gz) = bafbda19358f0c1dd39bb1253c92ee548791a1c0f648977051d2657216874f7e +SIZE (siesta-4.0.2.tar.gz) = 9627717 diff --git a/science/siesta/pkg-descr b/science/siesta/pkg-descr new file mode 100644 index 000000000000..7f1ae0f8577c --- /dev/null +++ b/science/siesta/pkg-descr @@ -0,0 +1,10 @@ +SIESTA is both a method and its computer program implementation, to perform +efficient electronic structure calculations and ab initio molecular dynamics +simulations of molecules and solids. SIESTA's efficiency stems from the use of +strictly localized basis sets and from the implementation of linear-scaling +algorithms which can be applied to suitable systems. A very important feature +of the code is that its accuracy and cost can be tuned in a wide range, from +quick exploratory calculations to highly accurate simulations matching the +quality of other approaches, such as plane-wave and all-electron methods. + +WWW: https://departments.icmab.es/leem/siesta/ |