svn commit: r533742 - in head/science/lammps: . files
Yuri Victorovich
yuri at FreeBSD.org
Sun May 3 04:25:43 UTC 2020
Author: yuri
Date: Sun May 3 04:25:42 2020
New Revision: 533742
URL: https://svnweb.freebsd.org/changeset/ports/533742
Log:
science/lammps: Enable all packages that don't require dependencies, and USER-H5MD that does require dependencies
Added:
head/science/lammps/files/patch-lib_atc_Function.cpp (contents, props changed)
Modified:
head/science/lammps/Makefile
Modified: head/science/lammps/Makefile
==============================================================================
--- head/science/lammps/Makefile Sun May 3 04:03:30 2020 (r533741)
+++ head/science/lammps/Makefile Sun May 3 04:25:42 2020 (r533742)
@@ -2,7 +2,7 @@
PORTNAME= lammps
PORTVERSION= ${GH_TAGNAME:C/(stable|patch)_([0-9]{1,2})([A-Z][a-z][a-z])([0-9]{4})/\4.\3.\2/S/Jan/01/S/Feb/02/S/Mar/03/S/Apr/04/S/May/05/S/Jun/06/S/Jul/07/S/Aug/08/S/Sep/09/S/Oct/10/S/Nov/11/S/Dec/12/}
-PORTREVISION= 3
+PORTREVISION= 4
CATEGORIES= science
PATCH_SITES= https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/
@@ -38,23 +38,26 @@ 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_MOLECULE PKG_PERI PKG_POEMS PKG_QEQ
+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 PKG_USER-LB
CMAKE_ON+= PKG_USER-MANIFOLD PKG_USER-MEAMC PKG_USER-MGPT PKG_USER-MISC PKG_USER-MOFFF PKG_USER-MOLFILE
-# PKG_MISC is broken: https://github.com/lammps/lammps/issues/2057
-# PKG_KIM is broken: https://github.com/lammps/lammps/issues/2059
-# Packages requiring extra downloades or dependencies: PKG_MSCG
+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-VTK PKG_KIM PKG_USER-PLUMED PKG_USER-SCAFACOS
OPTIONS_DEFINE= JPEG PNG GZIP FFMPEG
OPTIONS_DEFINE_clang= OPENMP
OPTIONS_GROUP= PARALLEL PACKAGES
-OPTIONS_DEFAULT= MPI JPEG PNG GZIP FFMPEG KOKKOS VORONOI LATTE ${OPTIONS_DEFAULT_${CHOSEN_COMPILER_TYPE}}
+OPTIONS_DEFAULT= MPI JPEG PNG GZIP FFMPEG H5MD KOKKOS VORONOI LATTE ${OPTIONS_DEFAULT_${CHOSEN_COMPILER_TYPE}}
OPTIONS_DEFAULT_clang= OPENMP
OPTIONS_SUB= yes
PARALLEL_DESC= Enable parallelizations:
PACKAGES_DESC= Enable packages:
OPTIONS_GROUP_PARALLEL= MPI ${OPTIONS_DEFINE_${CHOSEN_COMPILER_TYPE}}
-OPTIONS_GROUP_PACKAGES= KOKKOS VORONOI LATTE
+OPTIONS_GROUP_PACKAGES= H5MD KOKKOS VORONOI LATTE
MPI_CMAKE_BOOL= BUILD_MPI PKG_MPIIO
MPI_LIB_DEPENDS= libmpi.so:net/openmpi
@@ -73,6 +76,11 @@ GZIP_DESC= Enable GZIP support
GZIP_CMAKE_BOOL= WITH_GZIP
FFMPEG_CMAKE_BOOL= WITH_FFMPEG
+
+H5MD_DESC= USER-H5MD package based on libhdf5
+H5MD_CMAKE_BOOL= PKG_USER-H5MD
+H5MD_LIB_DEPENDS= libhdf5.so:science/hdf5 \
+ libsz.so:science/szip
KOKKOS_DESC= kokkos package based on the libkokkos library
KOKKOS_CMAKE_BOOL= PKG_KOKKOS EXTERNAL_KOKKOS
Added: head/science/lammps/files/patch-lib_atc_Function.cpp
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/lammps/files/patch-lib_atc_Function.cpp Sun May 3 04:25:42 2020 (r533742)
@@ -0,0 +1,11 @@
+https://github.com/lammps/lammps/issues/2062
+
+--- lib/atc/Function.cpp.orig 2020-05-03 03:21:56 UTC
++++ lib/atc/Function.cpp
+@@ -1,5 +1,5 @@
+ #ifndef _WIN32
+-#include <alloca.h>
++#include <stdlib.h>
+ #endif
+ #include "Function.h"
+ #include "ATC_Error.h"
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