diff --git a/science/Makefile b/science/Makefile index 7083b53ddb50..000b3baa66c6 100644 --- a/science/Makefile +++ b/science/Makefile @@ -218,6 +218,7 @@ SUBDIR += silo SUBDIR += simlib SUBDIR += simsmith + SUBDIR += spglib SUBDIR += step SUBDIR += step-kde4 SUBDIR += svmlight diff --git a/science/spglib/Makefile b/science/spglib/Makefile new file mode 100644 index 000000000000..ce13c9c8e2af --- /dev/null +++ b/science/spglib/Makefile @@ -0,0 +1,21 @@ +# $FreeBSD$ + +PORTNAME= spglib +DISTVERSIONPREFIX= v +DISTVERSION= 1.10.3 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= C library for finding and handling crystal symmetries + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/COPYING + +USES= autoreconf libtool +USE_GITHUB= yes +GH_ACCOUNT= atztogo +GNU_CONFIGURE= yes +CONFIGURE_ARGS= --disable-static +USE_LDCONFIG= yes + +.include diff --git a/science/spglib/distinfo b/science/spglib/distinfo new file mode 100644 index 000000000000..4999db8fd6e3 --- /dev/null +++ b/science/spglib/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1529084268 +SHA256 (atztogo-spglib-v1.10.3_GH0.tar.gz) = 43776b5fb220b746d53c1aa39d0230f304687ec05984671392bccaf850d9d696 +SIZE (atztogo-spglib-v1.10.3_GH0.tar.gz) = 1949650 diff --git a/science/spglib/pkg-descr b/science/spglib/pkg-descr new file mode 100644 index 000000000000..434fa2852b04 --- /dev/null +++ b/science/spglib/pkg-descr @@ -0,0 +1,11 @@ +Spglib is a library for finding and handling crystal symmetries written in C. + +Features: +* Find symmetry operations +* Identify space-group type +* Wyckoff position assignment +* Refine crystal structure +* Find a primitive cell +* Search irreducible k-points + +WWW: https://atztogo.github.io/spglib/ diff --git a/science/spglib/pkg-plist b/science/spglib/pkg-plist new file mode 100644 index 000000000000..3167c7bf1971 --- /dev/null +++ b/science/spglib/pkg-plist @@ -0,0 +1,25 @@ +include/spglib/arithmetic.h +include/spglib/cell.h +include/spglib/debug.h +include/spglib/delaunay.h +include/spglib/determination.h +include/spglib/hall_symbol.h +include/spglib/kgrid.h +include/spglib/kpoint.h +include/spglib/mathfunc.h +include/spglib/niggli.h +include/spglib/overlap.h +include/spglib/pointgroup.h +include/spglib/primitive.h +include/spglib/refinement.h +include/spglib/site_symmetry.h +include/spglib/sitesym_database.h +include/spglib/spacegroup.h +include/spglib/spg_database.h +include/spglib/spglib.h +include/spglib/spin.h +include/spglib/symmetry.h +include/spglib/version.h +lib/libsymspg.so +lib/libsymspg.so.0 +lib/libsymspg.so.0.0.0