diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-16 20:36:24 -0800 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-16 21:15:11 -0800 |
| commit | 9d5d7aa9abae6afb23eda71de6bdc6e8aa3dfe43 (patch) | |
| tree | 1a377bed33146669b81cf26748cc20efc9d342da | |
| parent | x11/xkbset: Update to 0.7. (diff) | |
science/libmbd: New port: Many-body dispersion library
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/libmbd/Makefile | 16 | ||||
| -rw-r--r-- | science/libmbd/distinfo | 3 | ||||
| -rw-r--r-- | science/libmbd/pkg-descr | 10 | ||||
| -rw-r--r-- | science/libmbd/pkg-plist | 25 |
5 files changed, 55 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 935c95f81d8d..1c98e66d2174 100644 --- a/science/Makefile +++ b/science/Makefile @@ -135,6 +135,7 @@ SUBDIR += libint2 SUBDIR += libkml SUBDIR += liblinear + SUBDIR += libmbd SUBDIR += libmsym SUBDIR += liboglappth SUBDIR += libquantum diff --git a/science/libmbd/Makefile b/science/libmbd/Makefile new file mode 100644 index 000000000000..9c1c0a0aa6b5 --- /dev/null +++ b/science/libmbd/Makefile @@ -0,0 +1,16 @@ +PORTNAME= libmbd +DISTVERSION= 0.12.4 +CATEGORIES= science # chemistry +MASTER_SITES= https://github.com/libmbd/libmbd/releases/download/${DISTVERSION}/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Many-body dispersion library + +LICENSE= MPL20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libopenblas.so:math/openblas + +USES= cmake:testing fortran + +.include <bsd.port.mk> diff --git a/science/libmbd/distinfo b/science/libmbd/distinfo new file mode 100644 index 000000000000..78cbad9d92b9 --- /dev/null +++ b/science/libmbd/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1642393535 +SHA256 (libmbd-0.12.4.tar.gz) = 4fd1f84d79e6a32f74f8f883f3b16970f89f38b4d3d2b450ffa45d28f3923f6f +SIZE (libmbd-0.12.4.tar.gz) = 62593 diff --git a/science/libmbd/pkg-descr b/science/libmbd/pkg-descr new file mode 100644 index 000000000000..53b20afd6e13 --- /dev/null +++ b/science/libmbd/pkg-descr @@ -0,0 +1,10 @@ +Libmbd implements the many-body dispersion (MBD) method in several +programming languages and frameworks: + +The Fortran implementation is the reference, most advanced +implementation, with support for analytical gradients and distributed +parallelism, and additional functionality beyond the MBD method +itself. It provides a low-level and a high-level Fortran API, as well +as a C API. Furthermore, Python bindings to the C API are provided. + +WWW: https://github.com/libmbd/libmbd diff --git a/science/libmbd/pkg-plist b/science/libmbd/pkg-plist new file mode 100644 index 000000000000..49e5f02ea923 --- /dev/null +++ b/science/libmbd/pkg-plist @@ -0,0 +1,25 @@ +include/mbd/mbd.h +include/mbd/mbd.mod +include/mbd/mbd_c_api.mod +include/mbd/mbd_constants.mod +include/mbd/mbd_coulomb.mod +include/mbd/mbd_damping.mod +include/mbd/mbd_defaults.mod +include/mbd/mbd_dipole.mod +include/mbd/mbd_formulas.mod +include/mbd/mbd_geom.mod +include/mbd/mbd_gradients.mod +include/mbd/mbd_hamiltonian.mod +include/mbd/mbd_lapack.mod +include/mbd/mbd_linalg.mod +include/mbd/mbd_matrix.mod +include/mbd/mbd_methods.mod +include/mbd/mbd_rpa.mod +include/mbd/mbd_scs.mod +include/mbd/mbd_ts.mod +include/mbd/mbd_utils.mod +include/mbd/mbd_vdw_param.mod +include/mbd/mbd_version.mod +lib/cmake/mbd/MbdConfig-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/mbd/MbdConfig.cmake +lib/libmbd.so |