From cc6d9994d70156de554610b46dd3146790b425d9 Mon Sep 17 00:00:00 2001
From: "Kurt A. O'Hearn" <ohearnku@msu.edu>
Date: Mon, 5 Nov 2018 09:01:42 -0800
Subject: [PATCH] PuReMD: move headers to SOURCES Automake variable. Fix
duplication of flags. Other build clean-up.
---
PuReMD/Makefile.am | 9 ++++-----
PuReMD/configure.ac | 1 -
configure.ac | 4 +---
3 files changed, 5 insertions(+), 9 deletions(-)
diff --git a/PuReMD/Makefile.am b/PuReMD/Makefile.am
index 718c453f..c657b37a 100644
--- a/PuReMD/Makefile.am
+++ b/PuReMD/Makefile.am
@@ -6,9 +6,8 @@ bin_puremd_SOURCES = src/allocate.c src/basic_comm.c src/ffield.c src/grid.c src
src/vector.c src/analyze.c src/box.c src/system_props.c src/control.c src/comm_tools.c \
src/geo_tools.c src/linear_solvers.c src/neighbors.c src/qEq.c src/bond_orders.c src/multi_body.c \
src/bonds.c src/valence_angles.c src/hydrogen_bonds.c src/torsion_angles.c src/nonbonded.c src/forces.c \
- src/integrate.c src/init_md.c src/parallelreax.c
-
-include_HEADERS = src/reax_defs.h src/reax_types.h \
+ src/integrate.c src/init_md.c src/parallelreax.c \
+ src/reax_defs.h src/reax_types.h \
src/allocate.h src/basic_comm.h src/ffield.h src/grid.h src/list.h src/lookup.h \
src/io_tools.h src/reset_tools.h src/restart.h src/random.h src/tool_box.h src/traj.h \
src/vector.h src/analyze.h src/box.h src/system_props.h src/control.h src/comm_tools.h \
@@ -16,5 +15,5 @@ include_HEADERS = src/reax_defs.h src/reax_types.h \
src/bonds.h src/valence_angles.h src/hydrogen_bonds.h src/torsion_angles.h src/nonbonded.h src/forces.h \
src/integrate.h src/init_md.h
-bin_puremd_CFLAGS = $(CFLAGS) $(MPI_CFLAGS)
-bin_puremd_LDADD = $(LDADD) $(MPI_LIBS)
+bin_puremd_CFLAGS = $(MPI_CFLAGS)
+bin_puremd_LDADD = $(MPI_LIBS)
diff --git a/PuReMD/configure.ac b/PuReMD/configure.ac
index 8833fc24..6a1bb0a1 100644
--- a/PuReMD/configure.ac
+++ b/PuReMD/configure.ac
@@ -74,7 +74,6 @@ fi
CONFIGURE_HEADLINE([ MPI compiler ])
ACX_MPI([], [AC_MSG_ERROR([could not find mpi library])])
AC_CHECK_PROG(MPIRUN, mpirun, mpirun)
-AC_SUBST(MPIRUN)
# try to find if we are using OpenMPI / MPICH by looking inside mpi.h
save_CC="${CC}"
diff --git a/configure.ac b/configure.ac
index 95a04436..830a2ce2 100644
--- a/configure.ac
+++ b/configure.ac
@@ -84,9 +84,7 @@ if test "x${DEBUG}" = "xyes"
then
# #TODO: fix exporting to subdirs
# # See: http://stackoverflow.com/questions/34124337/changing-flags-in-configure-ac-vs-caching-with-subprojects
-# CFLAGS="-g3 -O0 -D_GLIBCXX_DEBUG ${CFLAGS}"
- export BUILD_DEBUG="true"
- export DEBUG_FLAGS="-g2 -O0 -D_GLIBCXX_DEBUG"
+ export BUILD_DEBUG="yes"
fi
# gprof flags.
--
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