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author | Yuri Victorovich <yuri@FreeBSD.org> | 2021-09-30 17:27:18 +0000 |
---|---|---|
committer | Yuri Victorovich <yuri@FreeBSD.org> | 2021-09-30 17:30:10 +0000 |
commit | fc03b499c6b50bccdded11d2d0b5593793ab530d (patch) | |
tree | c00d7f973dec989ffae7becb55267a8b0e536376 /science | |
parent | be35ffec8dc06a1eb961a948a084a5d698bf619a (diff) | |
download | ports-fc03b499c6b50bccdded11d2d0b5593793ab530d.tar.gz ports-fc03b499c6b50bccdded11d2d0b5593793ab530d.zip |
science/lammps: Update patch_2Jul2021 -> stable_29Sep2021
Reported by: upstream notification
Diffstat (limited to 'science')
-rw-r--r-- | science/lammps/Makefile | 36 | ||||
-rw-r--r-- | science/lammps/distinfo | 6 | ||||
-rw-r--r-- | science/lammps/pkg-plist | 1 |
3 files changed, 26 insertions, 17 deletions
diff --git a/science/lammps/Makefile b/science/lammps/Makefile index 724a9595522f..ed4ec425dd7f 100644 --- a/science/lammps/Makefile +++ b/science/lammps/Makefile @@ -11,12 +11,19 @@ LICENSE_FILE= ${WRKSRC}/LICENSE BROKEN_i386= undefined reference to `__atomic_load' CONFLICTS_BUILD= ga mpich mpich2 # conflicts with include/error.h from ga, already fixed in the head -LIB_DEPENDS= libfftw3.so:math/fftw3 +LIB_DEPENDS= libevent.so:devel/libevent \ + libfftw3.so:math/fftw3 \ + libhwloc.so:devel/hwloc2 \ + libnghttp2.so:www/libnghttp2 \ + libpciaccess.so:devel/libpciaccess \ + libssh2.so:security/libssh2 + +USES= blaslapack:openblas cmake:noninja compiler:c++11-lang eigen:3 fortran gnome localbase:ldflags shebangfix +USE_GNOME= libxml2 +USE_LDCONFIG= yes -USES= blaslapack:openblas cmake:noninja compiler:c++11-lang eigen:3 fortran localbase:ldflags shebangfix USE_GITHUB= yes -GH_TAGNAME= patch_2Jul2021 -USE_LDCONFIG= yes +GH_TAGNAME= stable_29Sep2021 SHEBANG_GLOB= *.sh *.bash SHEBANG_FILES= lib/kokkos/bin/nvcc_wrapper @@ -27,16 +34,17 @@ CMAKE_ARGS= -DBLA_VENDOR:STRING="OpenBLAS" ${CMAKE_ARGS_${CHOSEN_COMPILER_TYPE}} CMAKE_ARGS_gcc= -DBUILD_OMP:BOOL=false # enable packages (for a complete list see STANDARD_PACKAGES in cmake/CMakeLists.txt) -CMAKE_ON+= PKG_ASPHERE PKG_BODY PKG_CLASS2 PKG_COLLOID PKG_COMPRESS PKG_DIPOLE -CMAKE_ON+= PKG_GRANULAR PKG_KSPACE PKG_MANYBODY PKG_MC PKG_MESSAGE PKG_MISC PKG_MOLECULE PKG_PERI PKG_POEMS PKG_QEQ -CMAKE_ON+= PKG_REPLICA PKG_RIGID PKG_SHOCK PKG_SPIN PKG_SNAP PKG_SRD -CMAKE_ON+= PKG_USER-ATC PKG_USER-AWPMD PKG_USER-BOCS PKG_USER-CGDNA PKG_USER-MESODPD PKG_USER-CGSDK PKG_USER-COLVARS -CMAKE_ON+= PKG_USER-DIFFRACTION PKG_USER-DPD PKG_USER-DRUDE PKG_USER-EFF PKG_USER-FEP -CMAKE_ON+= PKG_USER-MANIFOLD PKG_USER-MEAMC PKG_USER-MGPT PKG_USER-MISC PKG_USER-MOFFF PKG_USER-MOLFILE -CMAKE_ON+= PKG_USER-PHONON PKG_USER-PTM PKG_USER-QTB PKG_USER-REACTION -CMAKE_ON+= PKG_USER-REAXC PKG_USER-SDPD PKG_USER-SMD PKG_USER-SMTBQ PKG_USER-SPH PKG_USER-TALLY -CMAKE_ON+= PKG_USER-UEF PKG_USER-QMMM PKG_USER-YAFF -# Packages requiring extra downloades or dependencies: PKG_MSCG PKG_USER-ADIOS2 PKG_USER-NETCDF PKG_USER-QUIP PKG_USER-SCAFACOS +CMAKE_ON+= PKG_ASPHERE PKG_ATC PKG_AWPMD PKG_BOCS PKG_BODY PKG_BROWNIAN PKG_CG-DNA PKG_CG-SDK PKG_CLASS2 +CMAKE_ON+= PKG_COLLOID PKG_COLVARS PKG_COMPRESS PKG_DIELECTRIC PKG_DIFFRACTION PKG_DIPOLE PKG_DPD-BASIC PKG_DPD-MESO PKG_DPD-REACT PKG_DPD-SMOOTH +CMAKE_ON+= PKG_DRUDE PKG_EFF PKG_EXTRA-COMPUTE PKG_EXTRA-DUMP PKG_EXTRA-FIX PKG_EXTRA-MOLECULE PKG_EXTRA-PAIR PKG_FEP PKG_GRANULAR PKG_H5MD +CMAKE_ON+= PKG_INTERLAYER PKG_KIM PKG_KSPACE PKG_LATBOLTZ PKG_LATTE PKG_MACHDYN PKG_MANIFOLD PKG_MANYBODY PKG_MC +CMAKE_ON+= PKG_MEAM PKG_MESSAGE PKG_MGPT PKG_MISC PKG_ML-IAP PKG_ML-RANN +CMAKE_ON+= PKG_ML-SNAP PKG_MOFFF PKG_MOLECULE PKG_MOLFILE PKG_MPIIO PKG_ORIENT PKG_PERI PKG_PHONON +CMAKE_ON+= PKG_PLUGIN PKG_PLUMED PKG_POEMS PKG_PTM PKG_PYTHON PKG_QEQ PKG_QMMM PKG_QTB PKG_REACTION PKG_REAXFF +CMAKE_ON+= PKG_REPLICA PKG_RIGID PKG_SHOCK PKG_SMTBQ PKG_SPH PKG_SPIN PKG_SRD PKG_TALLY PKG_UEF +CMAKE_ON+= PKG_VORONOI PKG_YAFF +# Packages requiring extra downloades or dependencies: PKG_MSCG PKG_ADIOS PKG_MDI PKG_MESONT PKG_ML-PACE PKG_NETCDF PKG_ML-QUIP PKG_SCAFACOS PKG_VTK +# PKG_ML-HDNNP downloads https://github.com/CompPhysVienna/n2p2/archive/v2.1.4.tar.gz OPTIONS_DEFINE= EXCEPTIONS JPEG PNG GZIP FFMPEG OPTIONS_GROUP= PARALLEL PACKAGES diff --git a/science/lammps/distinfo b/science/lammps/distinfo index 66baca45032d..7a40e3fcc9a2 100644 --- a/science/lammps/distinfo +++ b/science/lammps/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1625270587 -SHA256 (lammps-lammps-2021.07.2-patch_2Jul2021_GH0.tar.gz) = 4fdd8ca2dbde8809c0048716650b73ae1f840e22ebe24b25f6f7a499377fea57 -SIZE (lammps-lammps-2021.07.2-patch_2Jul2021_GH0.tar.gz) = 120010348 +TIMESTAMP = 1632986703 +SHA256 (lammps-lammps-2021.09.29-stable_29Sep2021_GH0.tar.gz) = 2dff656cb21fd9a6d46c818741c99d400cfb1b12102604844663b655fb2f893d +SIZE (lammps-lammps-2021.09.29-stable_29Sep2021_GH0.tar.gz) = 121301656 diff --git a/science/lammps/pkg-plist b/science/lammps/pkg-plist index b5c9df762855..9cddad1c8dd2 100644 --- a/science/lammps/pkg-plist +++ b/science/lammps/pkg-plist @@ -190,6 +190,7 @@ man/man1/lmp.1.gz %%DATADIR%%/potentials/SiC.tersoff.zbl %%DATADIR%%/potentials/SiC.vashishta %%DATADIR%%/potentials/SiCGe.tersoff +%%DATADIR%%/potentials/SiGeH.sw.quip %%DATADIR%%/potentials/SiC_1989.tersoff %%DATADIR%%/potentials/SiC_1990.tersoff %%DATADIR%%/potentials/SiC_1994.tersoff |