From f616b0001f6ece3d538bc8c1a2a1d53b6c36ef94 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= <lukas.krupcik@vsb.cz>
Date: Wed, 27 Mar 2019 12:59:00 +0100
Subject: [PATCH] 	modified:   l/LAMMPS/LAMMPS-20181212-intel-2017c.eb 
 new file:   l/LAMMPS/LAMMPS-20181212-lompstub.patch 	modified:  
 l/LAMMPS/LAMMPS-20190218-intel-2017c.eb

---
 l/LAMMPS/LAMMPS-20181212-intel-2017c.eb | 16 +++++++++++-----
 l/LAMMPS/LAMMPS-20181212-lompstub.patch |  9 +++++++++
 l/LAMMPS/LAMMPS-20190218-intel-2017c.eb |  7 ++++---
 3 files changed, 24 insertions(+), 8 deletions(-)
 create mode 100644 l/LAMMPS/LAMMPS-20181212-lompstub.patch

diff --git a/l/LAMMPS/LAMMPS-20181212-intel-2017c.eb b/l/LAMMPS/LAMMPS-20181212-intel-2017c.eb
index ac6a2d63..9e1c539f 100644
--- a/l/LAMMPS/LAMMPS-20181212-intel-2017c.eb
+++ b/l/LAMMPS/LAMMPS-20181212-intel-2017c.eb
@@ -15,23 +15,29 @@ meso, or continuum scale.
 """
 
 toolchain = {'name': 'intel', 'version': '2017c'}
+toolchainopts = {'pic': True, 'usempi': True}
 
 source_urls = ['https://github.com/lammps/lammps/archive']
 sources = ['stable_12Dec2018.tar.gz']
 
+patches = ['LAMMPS-20181212-lompstub.patch']
+
 dependencies = [
     ('tbb', '2017.6.196', '', True),
     ('gperftools', '2.7', '', True),
 ]
 
 builddependencies = [
-    ('Python', '2.7.13', '-base', True),
-    ('CMake', '3.5.2', '', True),
+    ('Py', '3.6', '', True),
+    ('CMake', '3.13.1', '', True),
 ]
 
-commands = "cd src && make yes-kokkos && "
-commands += "make yes-user-phonon && make yes-misc && "
-commands += "make lib-reax args='-m ifort' && make yes-reax && "
+commands = "cd src && export LC_ALL='en_US.utf8' && "
+commands += "make lib-reax args='-m ifort' && "
+commands += "make lib-meam args='-m ifort' && "
+commands += "make yes-reax && make yes-meam && "
+commands += "make yes-kokkos && "
+commands += "make yes-user-phonon && make yes-misc && make yes-user-meamc && "
 commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
 commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
 commands += "make yes-user-reaxc && make yes-user-omp && "
diff --git a/l/LAMMPS/LAMMPS-20181212-lompstub.patch b/l/LAMMPS/LAMMPS-20181212-lompstub.patch
new file mode 100644
index 00000000..d9ec5f6a
--- /dev/null
+++ b/l/LAMMPS/LAMMPS-20181212-lompstub.patch
@@ -0,0 +1,9 @@
+--- lib/meam/Makefile.lammps.ifort.orig	2019-03-25 11:59:27.158597104 +0100
++++ lib/meam/Makefile.lammps.ifort	2019-03-25 11:59:37.421618041 +0100
+@@ -1,5 +1,5 @@
+ # Settings that the LAMMPS build will import when this package library is used
+ 
+ meam_SYSINC =
+-meam_SYSLIB = -lifcore -lsvml -lompstub -limf
++meam_SYSLIB = -lifcore -lsvml -limf
+ meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib
diff --git a/l/LAMMPS/LAMMPS-20190218-intel-2017c.eb b/l/LAMMPS/LAMMPS-20190218-intel-2017c.eb
index 8f8b94a1..e0a52ace 100644
--- a/l/LAMMPS/LAMMPS-20190218-intel-2017c.eb
+++ b/l/LAMMPS/LAMMPS-20190218-intel-2017c.eb
@@ -29,10 +29,11 @@ builddependencies = [
     ('CMake', '3.13.1', '', True),
 ]
 
-commands = "cd src && make yes-kokkos && "
+# deprecated MEAM, REAX
+
+commands = "cd src && "
+commands += "make yes-kokkos && make yes-user-meamc && "
 commands += "make yes-user-phonon && make yes-misc && "
-commands += "make lib-reax args='-m ifort' && make yes-reax && "
-commands += "make lib-meam args='-m ifort' && "
 commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
 commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
 commands += "make yes-user-reaxc && make yes-user-omp && "