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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-16 22:58:17 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-16 22:58:17 +0000 |
| commit | 32dcfcd07d8e723bfe60633008d3648b501d46fb (patch) | |
| tree | 77bb8bc3b09f36cb53700ffd951cc76a81c22f05 /science/libmsym | |
| parent | b191aeb73a49c2d6d7c02a319305d6173c6ef755 (diff) | |
| download | ports-32dcfcd07d8e723bfe60633008d3648b501d46fb.tar.gz ports-32dcfcd07d8e723bfe60633008d3648b501d46fb.zip | |
New port: science/libmsym: Molecular point group symmetry library
Notes
Notes:
svn path=/head/; revision=482264
Diffstat (limited to 'science/libmsym')
| -rw-r--r-- | science/libmsym/Makefile | 22 | ||||
| -rw-r--r-- | science/libmsym/distinfo | 3 | ||||
| -rw-r--r-- | science/libmsym/pkg-descr | 13 | ||||
| -rw-r--r-- | science/libmsym/pkg-plist | 10 |
4 files changed, 48 insertions, 0 deletions
diff --git a/science/libmsym/Makefile b/science/libmsym/Makefile new file mode 100644 index 000000000000..adf1c179ffe0 --- /dev/null +++ b/science/libmsym/Makefile @@ -0,0 +1,22 @@ +# $FreeBSD$ + +PORTNAME= libmsym +DISTVERSIONPREFIX= v +DISTVERSION= 0.2.3 +DISTVERSIONSUFFIX= -paper +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Molecular point group symmetry library + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/LICENSE + +USES= cmake:outsource +USE_GITHUB= yes +GH_ACCOUNT= mcodev31 +USE_LDCONFIG= yes + +CMAKE_ARGS= -DBUILD_SHARED_LIBS:BOOL=ON + +.include <bsd.port.mk> diff --git a/science/libmsym/distinfo b/science/libmsym/distinfo new file mode 100644 index 000000000000..992d4d1514fc --- /dev/null +++ b/science/libmsym/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1539730261 +SHA256 (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 3741ebe163cf40696570d6b62e4834ca587d43dcac9de713994cc5e2960fb8fd +SIZE (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 87410 diff --git a/science/libmsym/pkg-descr b/science/libmsym/pkg-descr new file mode 100644 index 000000000000..6a9a2b59e1d1 --- /dev/null +++ b/science/libmsym/pkg-descr @@ -0,0 +1,13 @@ +libmsym is a C library dealing with point group symmetry in molecules. + +Features: +* Determine, symmetrize and generate molecules of any point group as well + determine/select subgroups. Get symmetrically equivalent elements and + symmetrize translation of any any element in a molecule. +* Generate character tables for any point group (complex characters form + reducible representations) +* Generate SALCs of real spherical harmonics with any angular momentum for + point groups with real characters (Ci, Cs, Cnv, Dn, Dnh, Dnd, Td, O, Oh, + I and Ih), as well as symmetrize orbitals, determine partner functions etc. + +WWW: https://github.com/mcodev31/libmsym diff --git a/science/libmsym/pkg-plist b/science/libmsym/pkg-plist new file mode 100644 index 000000000000..d5832a15aeda --- /dev/null +++ b/science/libmsym/pkg-plist @@ -0,0 +1,10 @@ +include/libmsym/msym.h +include/libmsym/msym_EXPORTS.h +include/libmsym/msym_error.h +lib/cmake/libmsym/libmsymConfig.cmake +lib/cmake/libmsym/libmsymConfigVersion.cmake +lib/cmake/libmsym/libmsymTargets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/libmsym/libmsymTargets.cmake +lib/libmsym.so +lib/libmsym.so.0.2 +lib/libmsym.so.0.2.4 |