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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2021-09-11 09:24:14 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2021-09-11 09:24:45 +0000 |
| commit | 94d91d836101c1736238f4341b4f7a107d1f70c8 (patch) | |
| tree | 738f338e045971b47c52e882e50f37b4a1b422ad | |
| parent | 3f5859f965d967ab552d57549746abb2a7520b87 (diff) | |
| download | ports-94d91d836101c1736238f4341b4f7a107d1f70c8.tar.gz ports-94d91d836101c1736238f4341b4f7a107d1f70c8.zip | |
science/helfem: New port: Finite element methods for electronic structure calculations
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/helfem/Makefile | 26 | ||||
| -rw-r--r-- | science/helfem/distinfo | 3 | ||||
| -rw-r--r-- | science/helfem/pkg-descr | 7 | ||||
| -rw-r--r-- | science/helfem/pkg-plist | 16 |
5 files changed, 53 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 9cbe4c3e8c10..ce30460b050e 100644 --- a/science/Makefile +++ b/science/Makefile @@ -104,6 +104,7 @@ SUBDIR += hdf5 SUBDIR += hdf5-18 SUBDIR += healpix + SUBDIR += helfem SUBDIR += hepmc3 SUBDIR += highfive SUBDIR += hypre diff --git a/science/helfem/Makefile b/science/helfem/Makefile new file mode 100644 index 000000000000..211a0022a6cd --- /dev/null +++ b/science/helfem/Makefile @@ -0,0 +1,26 @@ +PORTNAME= helfem +DISTVERSION= g20210807 +CATEGORIES= science # chemistry + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Finite element methods for electronic structure calculations + +LICENSE= GPLv2 +LICENSE_FILE= ${WRKSRC}/COPYING + +LIB_DEPENDS= libarmadillo.so:math/armadillo \ + libgsl.so:math/gsl \ + libhdf5_cpp.so:science/hdf5 \ + libsz.so:science/szip \ + libxc.so:science/libxc + +USES= cmake fortran + +USE_GITHUB= yes +GH_ACCOUNT= susilehtola +GH_PROJECT= HelFEM +GH_TAGNAME= b6d8c11 + +CMAKE_ON= HELFEM_FIND_DEPS # BUILD_SHARED_LIBS is broken, see https://github.com/susilehtola/HelFEM/issues/5 + +.include <bsd.port.mk> diff --git a/science/helfem/distinfo b/science/helfem/distinfo new file mode 100644 index 000000000000..be7d72dabd75 --- /dev/null +++ b/science/helfem/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1631350867 +SHA256 (susilehtola-HelFEM-g20210807-b6d8c11_GH0.tar.gz) = 76b96ca133ddc59fdce8509b10165027990d7165c66345c1cdb34a32c7ca95b4 +SIZE (susilehtola-HelFEM-g20210807-b6d8c11_GH0.tar.gz) = 1020761 diff --git a/science/helfem/pkg-descr b/science/helfem/pkg-descr new file mode 100644 index 000000000000..85e68f749413 --- /dev/null +++ b/science/helfem/pkg-descr @@ -0,0 +1,7 @@ +HelFEM is a suite of programs for finite element calculations on atoms and +diatomic molecules at the Hartree-Fock or density-functional levels of theory. +Hundreds of functionals at the local spin density approximation (LDA), +generalized gradient approximation (GGA), and meta-GGA levels of theory are +supported. + +WWW: https://github.com/susilehtola/HelFEM diff --git a/science/helfem/pkg-plist b/science/helfem/pkg-plist new file mode 100644 index 000000000000..fa1a1c370223 --- /dev/null +++ b/science/helfem/pkg-plist @@ -0,0 +1,16 @@ +bin/atomic +bin/diatomic +bin/diatomic_cbasis +bin/diatomic_cpl +bin/gensap +bin/libhelfem-common.a +bin/liblegendre.a +include/helfem.h +include/helfem/GaussianNucleus.h +include/helfem/HollowNucleus.h +include/helfem/ModelPotential.h +include/helfem/PointNucleus.h +include/helfem/PolynomialBasis.h +include/helfem/RadialBasis.h +include/helfem/SphericalNucleus.h +lib/libhelfem.a |