spglib: add new package (#7321)

3 files changed, 98 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/spglib/fix_cmake_install.patch b/var/spack/repos/builtin/packages/spglib/fix_cmake_install.patch
new file mode 100644
index 0000000000..d7451460db
--- /dev/null
+++ b/var/spack/repos/builtin/packages/spglib/fix_cmake_install.patch
@@ -0,0 +1,25 @@
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 3296d91..d18d26c 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -47,17 +47,17 @@ set(SOURCES ${PROJECT_SOURCE_DIR}/src/arithmetic.c
+ add_library(symspg SHARED ${SOURCES})
+ set_property(TARGET symspg PROPERTY VERSION ${serial})
+ set_property(TARGET symspg PROPERTY SOVERSION ${soserial})
+-install(TARGETS symspg LIBRARY DESTINATION ${PROJECT_SOURCE_DIR}/lib)
++install(TARGETS symspg LIBRARY DESTINATION ${CMAKE_INSTALL_PREFIX}/lib)
+ 
+ # Static link library
+ add_library(symspg_static STATIC ${SOURCES})
+ set_property(TARGET symspg_static PROPERTY VERSION ${serial})
+ set_property(TARGET symspg_static PROPERTY SOVERSION ${soserial})
+ set_property(TARGET symspg_static PROPERTY OUTPUT_NAME symspg)
+-install(TARGETS symspg_static ARCHIVE DESTINATION ${PROJECT_SOURCE_DIR}/lib)
++install(TARGETS symspg_static ARCHIVE DESTINATION ${CMAKE_INSTALL_PREFIX}/lib)
+ 
+ # Header file
+-install(FILES ${PROJECT_SOURCE_DIR}/src/spglib.h DESTINATION ${PROJECT_SOURCE_DIR}/include)
++install(FILES ${PROJECT_SOURCE_DIR}/src/spglib.h DESTINATION ${CMAKE_INSTALL_PREFIX}/include)
+ 
+ # make check
+ enable_testing()
diff --git a/var/spack/repos/builtin/packages/spglib/fix_cpp.patch b/var/spack/repos/builtin/packages/spglib/fix_cpp.patch
new file mode 100644
index 0000000000..9ab4c9bffe
--- /dev/null
+++ b/var/spack/repos/builtin/packages/spglib/fix_cpp.patch
@@ -0,0 +1,34 @@
+From a91ea68d6771ed7d6b03bcbffd891489dc77e574 Mon Sep 17 00:00:00 2001
+From: Krishnendu Ghosh
+Date: Thu, 22 Feb 2018 14:24:14 -0500
+Subject: [PATCH] added extern "C"
+
+---
+ src/spglib.h | 6 ++++++
+ 1 file changed, 6 insertions(+)
+
+diff --git a/src/spglib.h b/src/spglib.h
+index e1746b1..530dfa4 100644
+--- a/src/spglib.h
++++ b/src/spglib.h
+@@ -35,6 +35,9 @@
+ #ifndef __spglib_H__
+ #define __spglib_H__
+ 
++#ifdef __cplusplus
++extern "C" {
++#endif
+ /* SPGCONST is used instead of 'const' so to avoid gcc warning. */
+ /* However there should be better way than this way.... */
+ #ifndef SPGCONST
+@@ -481,4 +484,7 @@ void spg_get_neighboring_grid_points(int relative_grid_points[],
+ /* Return 0 if failed */
+ int spg_niggli_reduce(double lattice[3][3], const double symprec);
+ 
++#ifdef __cplusplus
++}
++#endif
+ #endif
+-- 
+2.7.4.1.g5468f9e
+
diff --git a/var/spack/repos/builtin/packages/spglib/package.py b/var/spack/repos/builtin/packages/spglib/package.py
new file mode 100644
index 0000000000..45f35a0cdc
--- /dev/null
+++ b/var/spack/repos/builtin/packages/spglib/package.py
@@ -0,0 +1,39 @@
+##############################################################################
+# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC.
+# Produced at the Lawrence Livermore National Laboratory.
+#
+# This file is part of Spack.
+# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
+# LLNL-CODE-647188
+#
+# For details, see https://github.com/spack/spack
+# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
+#
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License (as
+# published by the Free Software Foundation) version 2.1, February 1999.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
+# conditions of the GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+##############################################################################
+from spack import *
+
+
+class Spglib(CMakePackage):
+    """C library for finding and handling crystal symmetries."""
+
+    homepage = "https://atztogo.github.io/spglib/"
+    url      = "https://github.com/atztogo/spglib/archive/v1.10.3.tar.gz"
+
+    patch('fix_cmake_install.patch', when='@:1.10.3')
+    # patch by Krishnendu Ghosh
+    patch('fix_cpp.patch', when='@:1.10.3')
+
+    version('1.10.3', 'f6ef0554fa528ffa49d8eaee18a2b7b9')
+    version('1.10.0', '0ad9330ae8a511d25e2e26cb9bf02808')