diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-18 02:33:39 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-01-18 02:42:03 +0000 |
| commit | 8c3413a9f78f04d026de2a4901930fd4e891b311 (patch) | |
| tree | fb002f59b122d557ce17c264cf68f0fd1429826a /science/simple-dftd3 | |
| parent | bf689f19eeddbae1c57361a269aa336aea4551b9 (diff) | |
Diffstat (limited to 'science/simple-dftd3')
| -rw-r--r-- | science/simple-dftd3/Makefile | 25 | ||||
| -rw-r--r-- | science/simple-dftd3/distinfo | 3 | ||||
| -rw-r--r-- | science/simple-dftd3/pkg-descr | 6 | ||||
| -rw-r--r-- | science/simple-dftd3/pkg-plist | 38 |
4 files changed, 72 insertions, 0 deletions
diff --git a/science/simple-dftd3/Makefile b/science/simple-dftd3/Makefile new file mode 100644 index 000000000000..68ec3d62b538 --- /dev/null +++ b/science/simple-dftd3/Makefile @@ -0,0 +1,25 @@ +PORTNAME= simple-dftd3 +DISTVERSIONPREFIX= v +DISTVERSION= 0.5.0 +CATEGORIES= science # chemistry + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Reimplementation of the DFT-D3 program + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/COPYING + +BUILD_DEPENDS= mstore>0:science/mstore # see https://github.com/awvwgk/simple-dftd3/issues/11 +LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \ + libopenblas.so:math/openblas \ + libtoml-f.so:textproc/toml-f + +USES= cmake:testing fortran +USE_LDCONFIG= yes + +USE_GITHUB= yes +GH_ACCOUNT= awvwgk + +CMAKE_ON= BUILD_SHARED_LIBS + +.include <bsd.port.mk> diff --git a/science/simple-dftd3/distinfo b/science/simple-dftd3/distinfo new file mode 100644 index 000000000000..88504521e74d --- /dev/null +++ b/science/simple-dftd3/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1642472686 +SHA256 (awvwgk-simple-dftd3-v0.5.0_GH0.tar.gz) = 47b2614c911085690075dda5af70391c93d9a43fe067eae15bb6db72eac33aab +SIZE (awvwgk-simple-dftd3-v0.5.0_GH0.tar.gz) = 433993 diff --git a/science/simple-dftd3/pkg-descr b/science/simple-dftd3/pkg-descr new file mode 100644 index 000000000000..c875293996de --- /dev/null +++ b/science/simple-dftd3/pkg-descr @@ -0,0 +1,6 @@ +A simple drop-in replacement for dftd3. + +This program provides a small and easy to use implementation of the +DFT-D3 dispersion correction. + +WWW: https://github.com/awvwgk/simple-dftd3 diff --git a/science/simple-dftd3/pkg-plist b/science/simple-dftd3/pkg-plist new file mode 100644 index 000000000000..234042c70b92 --- /dev/null +++ b/science/simple-dftd3/pkg-plist @@ -0,0 +1,38 @@ +bin/s-dftd3 +include/dftd3.h +include/s-dftd3.h +include/s-dftd3/GNU-10.3.0/dftd3.mod +include/s-dftd3/GNU-10.3.0/dftd3_api.mod +include/s-dftd3/GNU-10.3.0/dftd3_blas.mod +include/s-dftd3/GNU-10.3.0/dftd3_cutoff.mod +include/s-dftd3/GNU-10.3.0/dftd3_damping.mod +include/s-dftd3/GNU-10.3.0/dftd3_damping_atm.mod +include/s-dftd3/GNU-10.3.0/dftd3_damping_mzero.mod +include/s-dftd3/GNU-10.3.0/dftd3_damping_optimizedpower.mod +include/s-dftd3/GNU-10.3.0/dftd3_damping_rational.mod +include/s-dftd3/GNU-10.3.0/dftd3_damping_zero.mod +include/s-dftd3/GNU-10.3.0/dftd3_data.mod +include/s-dftd3/GNU-10.3.0/dftd3_data_covrad.mod +include/s-dftd3/GNU-10.3.0/dftd3_data_r4r2.mod +include/s-dftd3/GNU-10.3.0/dftd3_data_vdwrad.mod +include/s-dftd3/GNU-10.3.0/dftd3_disp.mod +include/s-dftd3/GNU-10.3.0/dftd3_model.mod +include/s-dftd3/GNU-10.3.0/dftd3_ncoord.mod +include/s-dftd3/GNU-10.3.0/dftd3_output.mod +include/s-dftd3/GNU-10.3.0/dftd3_param.mod +include/s-dftd3/GNU-10.3.0/dftd3_reference.mod +include/s-dftd3/GNU-10.3.0/dftd3_utils.mod +include/s-dftd3/GNU-10.3.0/dftd3_version.mod +lib/cmake/s-dftd3/Findcustom-blas.cmake +lib/cmake/s-dftd3/Findmctc-lib.cmake +lib/cmake/s-dftd3/Findmstore.cmake +lib/cmake/s-dftd3/Findtoml-f.cmake +lib/cmake/s-dftd3/s-dftd3-config-version.cmake +lib/cmake/s-dftd3/s-dftd3-config.cmake +lib/cmake/s-dftd3/s-dftd3-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/s-dftd3/s-dftd3-targets.cmake +lib/cmake/s-dftd3/s-dftd3-utils.cmake +lib/libs-dftd3.so +lib/libs-dftd3.so.0 +lib/libs-dftd3.so.0.5.0 +libdata/pkgconfig/s-dftd3.pc |