hlrs-software-stack/spack
7
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity

Enable packages to use the NVIDIA HPC SDK (#19452)

Browse source 
* Enable packages to use the NVIDIA HPC SDK

* fix linter and review items

* fix linter issue

Co-authored-by: Scott McMillan <smcmillan@nvidia.com>
This commit is contained in:
Scott McMillan 2020-10-22 16:42:48 -05:00 committed by GitHub
parent fd3dbb2493
commit 0015dd0bf8
No known key found for this signature in database
GPG key ID: 4AEE18F83AFDEB23
85 changed files with 1824 additions and 18 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

24
var/spack/repos/builtin/packages/amber/aarch64.patch Normal file
View file

@ -0,0 +1,24 @@
--- a/ambertools_tmpdir/AmberTools/src/fftw-3.3/config.guess 2020-09-30 13:28:45.035344970 -0700
+++ b/ambertools_tmpdir/AmberTools/src/fftw-3.3/config.guess 2020-09-30 13:28:55.534923364 -0700
@@ -858,6 +858,9 @@
i*86:Minix:*:*)
echo ${UNAME_MACHINE}-pc-minix
exit ;;
+ aarch64:Linux:*:*)
+ echo aarch64-unknown-linux-gnu
+ exit ;;
alpha:Linux:*:*)
case `sed -n '/^cpu model/s/^.*: \(.*\)/\1/p' < /proc/cpuinfo` in
EV5) UNAME_MACHINE=alphaev5 ;;
--- a/ambertools_tmpdir/AmberTools/src/xblas/config/config.guess 2020-09-30 15:30:11.573779015 -0700
+++ b/ambertools_tmpdir/AmberTools/src/xblas/config/config.guess 2020-09-30 15:30:46.932366326 -0700
@@ -863,6 +863,9 @@
i*86:Minix:*:*)
echo ${UNAME_MACHINE}-pc-minix
exit ;;
+ aarch64:Linux:*:*)
+ echo aarch64-unknown-linux-gnu
+ exit ;;
alpha:Linux:*:*)
case `sed -n '/^cpu model/s/^.*: \(.*\)/\1/p' < /proc/cpuinfo` in
EV5) UNAME_MACHINE=alphaev5 ;;

61
var/spack/repos/builtin/packages/amber/nvhpc-boost.patch Normal file
View file

@ -0,0 +1,61 @@
--- a/ambertools_tmpdir/AmberTools/src/ba/ambertools_tmpdir/oost/tools/build/src/engine/build.sh 2020-09-30 14:26:41.136036986 -0700
+++ b/ambertools_tmpdir/AmberTools/src/boost/tools/build/src/engine/build.sh 2020-09-30 14:27:29.634090876 -0700
@@ -95,7 +95,7 @@
elif test -r /opt/intel/compiler50/ia32/bin/iccvars.sh ; then
BOOST_JAM_TOOLSET=intel-linux
BOOST_JAM_TOOLSET_ROOT=/opt/intel/compiler50/ia32/
- elif test_path pgcc ; then BOOST_JAM_TOOLSET=pgi
+ elif test_path nvc ; then BOOST_JAM_TOOLSET=pgi
elif test_path pathcc ; then BOOST_JAM_TOOLSET=pathscale
elif test_path como ; then BOOST_JAM_TOOLSET=como
elif test_path KCC ; then BOOST_JAM_TOOLSET=kcc
@@ -231,7 +231,7 @@
;;
pgi)
- BOOST_JAM_CC=pgcc
+ BOOST_JAM_CC=nvc
;;
sun*)
--- a/ambertools_tmpdir/AmberTools/src/boost/tools/build/src/tools/pgi.jam 2020-09-30 14:28:09.652483687 -0700
+++ b/ambertools_tmpdir/AmberTools/src/boost/tools/build/src/tools/pgi.jam 2020-09-30 14:28:34.421488935 -0700
@@ -26,11 +26,11 @@
{
local condition = [ common.check-init-parameters pgi : version $(version) ] ;
- local l_command = [ common.get-invocation-command pgi : pgc++ : $(command) ] ;
+ local l_command = [ common.get-invocation-command pgi : nvc++ : $(command) ] ;
common.handle-options pgi : $(condition) : $(l_command) : $(options) ;
- command_c = $(command_c[1--2]) $(l_command[-1]:B=pgcc) ;
+ command_c = $(command_c[1--2]) $(l_command[-1]:B=nvc) ;
toolset.flags pgi CONFIG_C_COMMAND $(condition) : $(command_c) ;
--- a/ambertools_tmpdir/AmberTools/src/boost/tools/build/src/engine/build.jam 2020-09-30 14:40:16.983284833 -0700
+++ b/ambertools_tmpdir/AmberTools/src/boost/tools/build/src/engine/build.jam 2020-09-30 14:40:24.172997290 -0700
@@ -309,7 +309,7 @@
-I$(--python-include) -I$(--extra-include)
: -L$(--python-lib[1]) -l$(--python-lib[2]) ;
## Portland Group Pgi 6.2
-toolset pgi pgcc : "-o " : -D
+toolset pgi nvc : "-o " : -D
:
[ opt --release : -s -O3 ]
[ opt --debug : -g ]
--- a/ambertools_tmpdir/AmberTools/src/boost/libs/filesystem/src/operations.cpp 2020-09-30 15:07:31.998097202 -0700
+++ b/ambertools_tmpdir/AmberTools/src/boost/libs/filesystem/src/operations.cpp 2020-09-30 15:07:37.117892885 -0700
@@ -2087,10 +2087,6 @@
return ok;
}
-#if defined(__PGI) && defined(__USE_FILE_OFFSET64)
-#define dirent dirent64
-#endif
-
error_code dir_itr_first(void *& handle, void *& buffer,
const char* dir, string& target,
fs::file_status &, fs::file_status &)

20
var/spack/repos/builtin/packages/amber/nvhpc.patch Normal file
View file

@ -0,0 +1,20 @@
--- a/ambertools_tmpdir/AmberTools/src/configure2 2020-09-10 07:37:44.380726161 -0700
+++ b/ambertools_tmpdir/AmberTools/src/configure2 2020-09-10 07:38:22.052936370 -0700
@@ -3190,7 +3190,7 @@
cd fftw-3.3 && \
./configure --disable-doc --prefix=$amberprefix --libdir=$amberprefix/lib \
--enable-static $enable_mpi $mpicc $enable_debug $enable_sse\
- CC="$cc" CFLAGS="$cflags $coptflags" \
+ CC="$cc" CFLAGS="$cflags $cnooptflags" \
F77="$fc" FFLAGS="$fflags $foptflags" \
FLIBS="$flibs_arch" \
> ../fftw3_config.log 2>&1
@@ -3287,6 +3287,8 @@
# b2 install will use intel-linux.compile.c++ (boost_1_64_0).
./bootstrap.sh --prefix=$amberprefix --with-toolset=intel-linux > ../boost_config.log
ncerror=$?
+ elif [ $x86_64 = 'no' ] && [ "$compiler" = 'pgi' ]; then
+ ./bootstrap.sh --prefix=$amberprefix --with-toolset=pgi > ../boost_config.log
else
./bootstrap.sh --prefix=$amberprefix > ../boost_config.log
ncerror=$?

26
var/spack/repos/builtin/packages/amber/package.py
View file

@ -91,6 +91,19 @@ def url_for_version(self, version):
patch(patch_url_str.format(ver, num), patch(patch_url_str.format(ver, num),
sha256=checksum, level=0, when='@{0}'.format(ver)) sha256=checksum, level=0, when='@{0}'.format(ver))
# Patch to add ppc64le in config.guess
patch('ppc64le.patch', when='@18.20')
# Patch to add aarch64 in config.guess
patch('aarch64.patch', when='@18.20')
# Workaround to modify the AmberTools script when using the NVIDIA
# compilers
patch('nvhpc.patch', when='@18.20 %nvhpc')
# Workaround to use NVIDIA compilers to build the bundled Boost
patch('nvhpc-boost.patch', when='@18.20 %nvhpc')
variant('mpi', description='Build MPI executables', variant('mpi', description='Build MPI executables',
default=True) default=True)
variant('openmp', description='Use OpenMP pragmas to parallelize', variant('openmp', description='Use OpenMP pragmas to parallelize',
@ -101,6 +114,7 @@ def url_for_version(self, version):
default=False) default=False)
depends_on('zlib') depends_on('zlib')
depends_on('bzip2')
depends_on('flex', type='build') depends_on('flex', type='build')
depends_on('bison', type='build') depends_on('bison', type='build')
depends_on('netcdf-fortran') depends_on('netcdf-fortran')
@ -125,6 +139,12 @@ def url_for_version(self, version):
def setup_build_environment(self, env): def setup_build_environment(self, env):
amber_src = self.stage.source_path amber_src = self.stage.source_path
env.set('AMBERHOME', amber_src) env.set('AMBERHOME', amber_src)
# The bundled Boost does not detect the bzip2 package, but
# will silently fall back to a system install (if available).
# Force it to use the bzip2 package.
env.prepend_path('CPATH', self.spec['bzip2'].prefix.include)
# CUDA # CUDA
if self.spec.satisfies('+cuda'): if self.spec.satisfies('+cuda'):
env.set('CUDA_HOME', self.spec['cuda'].prefix) env.set('CUDA_HOME', self.spec['cuda'].prefix)
@ -146,6 +166,8 @@ def install(self, spec, prefix):
compiler = 'intel' compiler = 'intel'
elif self.spec.satisfies('%pgi'): elif self.spec.satisfies('%pgi'):
compiler = 'pgi' compiler = 'pgi'
elif self.spec.satisfies('%nvhpc'):
compiler = 'pgi'
elif self.spec.satisfies('%clang'): elif self.spec.satisfies('%clang'):
compiler = 'clang' compiler = 'clang'
else: else:
@ -166,6 +188,10 @@ def install(self, spec, prefix):
else: else:
base_args += ['--no-updates'] base_args += ['--no-updates']
# Non-x86 architecture
if self.spec.target.family != 'x86_64':
base_args += ['-nosse']
# Single core # Single core
conf(*(base_args + [compiler])) conf(*(base_args + [compiler]))
make('install') make('install')

24
var/spack/repos/builtin/packages/amber/ppc64le.patch Normal file
View file

@ -0,0 +1,24 @@
--- a/ambertools_tmpdir/AmberTools/src/fftw-3.3/config.guess 2020-09-30 13:28:45.035344970 -0700
+++ b/ambertools_tmpdir/AmberTools/src/fftw-3.3/config.guess 2020-09-30 13:28:55.534923364 -0700
@@ -953,6 +953,9 @@
ppc64:Linux:*:*)
echo powerpc64-unknown-linux-gnu
exit ;;
+ ppc64le:Linux:*:*)
+ echo powerpc64le-unknown-linux-gnu
+ exit ;;
ppc:Linux:*:*)
echo powerpc-unknown-linux-gnu
exit ;;
--- a/ambertools_tmpdir/AmberTools/src/xblas/config/config.guess 2020-09-30 15:30:11.573779015 -0700
+++ b/ambertools_tmpdir/AmberTools/src/xblas/config/config.guess 2020-09-30 15:30:46.932366326 -0700
@@ -967,6 +967,9 @@
ppc64:Linux:*:*)
echo powerpc64-unknown-linux-gnu
exit ;;
+ ppc64le:Linux:*:*)
+ echo powerpc64le-unknown-linux-gnu
+ exit ;;
ppc:Linux:*:*)
echo powerpc-unknown-linux-gnu
exit ;;

9
var/spack/repos/builtin/packages/berkeley-db/package.py
View file

@ -29,7 +29,7 @@ def patch(self):
filter_file(r'gsg_db_server', '', 'dist/Makefile.in') filter_file(r'gsg_db_server', '', 'dist/Makefile.in')
def configure_args(self): def configure_args(self):
return [ config_args = [
'--disable-static', '--disable-static',
'--enable-cxx', '--enable-cxx',
'--enable-dbm', '--enable-dbm',
@ -40,3 +40,10 @@ def configure_args(self):
# depends on Berkey DB, creating a circular dependency # depends on Berkey DB, creating a circular dependency
'--with-repmgr-ssl=no', '--with-repmgr-ssl=no',
] ]
# The default glibc provided by CentOS 7 does not provide proper
# atomic support when using the NVIDIA compilers
if self.spec.satisfies('%nvhpc os=centos7'):
config_args.append('--disable-atomicsupport')
return config_args

38
var/spack/repos/builtin/packages/bison/nvhpc.patch Normal file
View file

@ -0,0 +1,38 @@
--- a/lib/xalloc-oversized.h 2020-08-21 13:24:01.793744123 -0700
+++ b/lib/xalloc-oversized.h 2020-08-21 13:25:52.394097061 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/lib/intprops.h 2020-08-21 13:23:54.587721128 -0700
+++ b/lib/intprops.h 2020-08-21 13:24:59.717928964 -0700
@@ -222,9 +222,9 @@
/* True if __builtin_add_overflow (A, B, P) and __builtin_sub_overflow
(A, B, P) work when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW 1
-#elif defined __has_builtin
+#elif defined __has_builtin && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW __has_builtin (__builtin_add_overflow)
#else
# define _GL_HAS_BUILTIN_ADD_OVERFLOW 0
@@ -240,7 +240,7 @@
/* True if __builtin_add_overflow_p (A, B, C) works, and similarly for
__builtin_mul_overflow_p and __builtin_mul_overflow_p. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands

1
var/spack/repos/builtin/packages/bison/package.py
View file

@ -46,6 +46,7 @@ class Bison(AutotoolsPackage, GNUMirrorPackage):
depends_on('help2man', type='build') depends_on('help2man', type='build')
patch('pgi.patch', when='@3.0.4') patch('pgi.patch', when='@3.0.4')
patch('nvhpc.patch', when='%nvhpc')
conflicts('%intel@:14', when='@3.4.2:', conflicts('%intel@:14', when='@3.4.2:',
msg="Intel 14 has immature C11 support") msg="Intel 14 has immature C11 support")

45
var/spack/repos/builtin/packages/boost/nvhpc.patch Normal file
View file

@ -0,0 +1,45 @@
--- a/tools/build/src/engine/build.sh 2020-08-25 08:44:18.873304084 -0700
+++ b/tools/build/src/engine/build.sh 2020-08-25 08:44:34.215370891 -0700
@@ -89,7 +89,7 @@
kylix) ( ${CXX:=bc++} -tC -q check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
mipspro) ( ${CXX:=CC} -FE:template_in_elf_section -ptused check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
pathscale) ( ${CXX:=pathCC} check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
- pgi) ( ${CXX:=pgc++} -std=c++11 check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
+ pgi) ( ${CXX:=nvc++} -std=c++11 check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
sun*) ( ${CXX:=CC} -std=c++11 check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
clang*) ( ${CXX:=clang++} -x c++ -std=c++11 check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
tru64cxx) ( ${CXX:=cc} check_cxx11.cpp && rm -f a.out ) 1>/dev/null 2>/dev/null ;;
@@ -140,7 +140,7 @@
elif test -r /opt/intel/compiler50/ia32/bin/iccvars.sh && test_cxx11 intel-linux ; then
B2_TOOLSET=intel-linux
B2_TOOLSET_ROOT=/opt/intel/compiler50/ia32/
- elif test_path pgc++ && test_cxx11 pgi ; then B2_TOOLSET=pgi
+ elif test_path nvc++ && test_cxx11 pgi ; then B2_TOOLSET=pgi
elif test_path pathCC && test_cxx11 pathscale ; then B2_TOOLSET=pathscale
elif test_path como && test_cxx11 como ; then B2_TOOLSET=como
elif test_path KCC && test_cxx11 kcc ; then B2_TOOLSET=kcc
@@ -345,7 +345,7 @@
;;
pgi)
- CXX=${CXX:=pgc++}
+ CXX=${CXX:=nvc++}
CXX_VERSION_OPT=${CXX_VERSION_OPT:=--version}
B2_CXX="${CXX} -std=c++11"
B2_CXXFLAGS_RELEASE="-fast -s"
--- a/tools/build/src/tools/pgi.jam 2020-08-25 08:45:01.015487600 -0700
+++ b/tools/build/src/tools/pgi.jam 2020-08-25 08:45:16.462554871 -0700
@@ -26,11 +26,11 @@
{
local condition = [ common.check-init-parameters pgi : version $(version) ] ;
- local l_command = [ common.get-invocation-command pgi : pgc++ : $(command) ] ;
+ local l_command = [ common.get-invocation-command pgi : nvc++ : $(command) ] ;
common.handle-options pgi : $(condition) : $(l_command) : $(options) ;
- command_c = $(command_c[1--2]) $(l_command[-1]:B=pgcc) ;
+ command_c = $(command_c[1--2]) $(l_command[-1]:B=nvc) ;
toolset.flags pgi CONFIG_C_COMMAND $(condition) : $(command_c) ;

17
var/spack/repos/builtin/packages/boost/package.py
View file

@ -208,6 +208,9 @@ def libs(self):
patch('boost_1.63.0_pgi.patch', when='@1.63.0%pgi') patch('boost_1.63.0_pgi.patch', when='@1.63.0%pgi')
patch('boost_1.63.0_pgi_17.4_workaround.patch', when='@1.63.0%pgi@17.4') patch('boost_1.63.0_pgi_17.4_workaround.patch', when='@1.63.0%pgi@17.4')
# Patch to override the PGI toolset when using the NVIDIA compilers
patch('nvhpc.patch', when='%nvhpc')
# Fix for version comparison on newer Clang on darwin # Fix for version comparison on newer Clang on darwin
# See: https://github.com/boostorg/build/issues/440 # See: https://github.com/boostorg/build/issues/440
# See: https://github.com/macports/macports-ports/pull/6726 # See: https://github.com/macports/macports-ports/pull/6726
@ -252,6 +255,19 @@ def libs(self):
# See https://github.com/boostorg/build/pull/154 # See https://github.com/boostorg/build/pull/154
patch('boost_154.patch', when='@:1.63.99') patch('boost_154.patch', when='@:1.63.99')
def patch(self):
# Disable SSSE3 and AVX2 when using the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('dump_avx2', '', 'libs/log/build/Jamfile.v2')
filter_file('<define>BOOST_LOG_USE_AVX2', '',
'libs/log/build/Jamfile.v2')
filter_file('dump_ssse3', '', 'libs/log/build/Jamfile.v2')
filter_file('<define>BOOST_LOG_USE_SSSE3', '',
'libs/log/build/Jamfile.v2')
filter_file('-fast', '-O1', 'tools/build/src/tools/pgi.jam')
filter_file('-fast', '-O1', 'tools/build/src/engine/build.sh')
def url_for_version(self, version): def url_for_version(self, version):
if version >= Version('1.63.0'): if version >= Version('1.63.0'):
url = "https://dl.bintray.com/boostorg/release/{0}/source/boost_{1}.tar.bz2" url = "https://dl.bintray.com/boostorg/release/{0}/source/boost_{1}.tar.bz2"
@ -268,6 +284,7 @@ def determine_toolset(self, spec):
'xlc++': 'xlcpp', 'xlc++': 'xlcpp',
'xlc++_r': 'xlcpp', 'xlc++_r': 'xlcpp',
'pgc++': 'pgi', 'pgc++': 'pgi',
'nvc++': 'pgi',
'FCC': 'clang'} 'FCC': 'clang'}
if spec.satisfies('@1.47:'): if spec.satisfies('@1.47:'):

5
var/spack/repos/builtin/packages/bzip2/package.py
View file

@ -52,9 +52,10 @@ def patch(self):
) )
# The Makefiles use GCC flags that are incompatible with PGI # The Makefiles use GCC flags that are incompatible with PGI
if self.compiler.name == 'pgi': if self.spec.satisfies('%pgi') or self.spec.satisfies('%nvhpc'):
filter_file('-Wall -Winline', '-Minform=inform', 'Makefile') filter_file('-Wall -Winline', '-Minform=inform', 'Makefile')
filter_file('-Wall -Winline', '-Minform=inform', 'Makefile-libbz2_so') # noqa filter_file('-Wall -Winline', '-Minform=inform',
'Makefile-libbz2_so')
# Patch the link line to use RPATHs on macOS # Patch the link line to use RPATHs on macOS
if 'darwin' in self.spec.architecture: if 'darwin' in self.spec.architecture:

77
var/spack/repos/builtin/packages/charmpp/nvhpc.patch Normal file
View file

@ -0,0 +1,77 @@
--- /dev/null 2020-08-25 10:23:08.110000124 -0700
+++ b/src/arch/common/cc-nvc.h 2020-09-03 08:11:13.912665728 -0700
@@ -0,0 +1,9 @@
+#undef CMK_DLL_CC
+
+/* pgcc can not compile RDTSC timer */
+#if CMK_TIMER_USE_RDTSC
+# undef CMK_TIMER_USE_GETRUSAGE
+# undef CMK_TIMER_USE_RDTSC
+# define CMK_TIMER_USE_GETRUSAGE 1
+# define CMK_TIMER_USE_RDTSC 0
+#endif
--- /dev/null 2020-08-25 10:23:08.110000124 -0700
+++ b/src/arch/common/cc-nvc.sh 2020-09-03 08:11:01.439597250 -0700
@@ -0,0 +1,42 @@
+
+# machine specific recommendation
+CMK_DEFS=""
+case `hostname` in
+*.ranger.tacc.utexas.edu) CMK_DEFS="-tp barcelona-64 " ;;
+esac
+
+CMK_CPP_C="nvc -E "
+CMK_CC="nvc -fPIC -DCMK_FIND_FIRST_OF_PREDICATE=1 "
+CMK_CC_RELIABLE="gcc "
+CMK_CXX="nvc++ -fPIC -DCMK_FIND_FIRST_OF_PREDICATE=1 --no_using_std "
+CMK_LD="$CMK_CC "
+CMK_LDXX="$CMK_CXX "
+CMK_PIE=" "
+
+# compiler for compiling sequential programs
+# nvc can not handle QT right for generic64, so always use gcc
+CMK_SEQ_CC="gcc -fPIC "
+CMK_SEQ_LD="$CMK_SEQ_CC "
+CMK_SEQ_CXX="nvc++ -fPIC --no_using_std "
+CMK_SEQ_LDXX="$CMK_SEQ_CXX"
+CMK_SEQ_LIBS=""
+
+# compiler for native programs
+CMK_NATIVE_CC="gcc "
+CMK_NATIVE_LD="gcc "
+CMK_NATIVE_CXX="g++ "
+CMK_NATIVE_LDXX="g++ "
+CMK_NATIVE_LIBS=""
+
+# fortran compiler
+CMK_CF77="nvfortran "
+CMK_CF90="nvfortran "
+CMK_CF90_FIXED="$CMK_CF90 -Mfixed "
+f90libdir="."
+f90bindir=`which nvfortran 2>/dev/null`
+if test -n "$f90bindir"
+then
+ f90libdir="$f90bindir/../lib"
+fi
+CMK_F90LIBS="-L$f90libdir "
+CMK_F90_USE_MODDIR=""
--- /dev/null 2020-08-25 10:23:08.110000124 -0700
+++ b/src/arch/common/conv-mach-nvfortran.sh 2020-09-03 08:25:09.042243776 -0700
@@ -0,0 +1,13 @@
+COMMENT="Use nvfortran fortran compiler"
+NVFORTRAN=`which nvfortran`
+if test x$NVFORTRAN = x
+then
+ echo charmc> Fatal error: nvfortran not found!
+ exit 1
+fi
+CMK_CF77="$NVFORTRAN "
+CMK_CF90="$NVFORTRAN "
+CMK_CF90_FIXED="$CMK_CF90 -Mfixed "
+CMK_F90LIBS="-lm "
+CMK_F90_MODINC="-module "
+CMK_F90_USE_MODDIR=""
--- /dev/null 2020-08-25 10:23:08.110000124 -0700
+++ b/src/arch/common/conv-mach-nvfortran.h 2020-09-03 08:25:09.042243776 -0700
@@ -0,0 +1,1 @@
+/* empty file */

3
var/spack/repos/builtin/packages/charmpp/package.py
View file

@ -44,6 +44,9 @@ class Charmpp(Package):
# support Fujitsu compiler # support Fujitsu compiler
patch("fj.patch", when="%fj") patch("fj.patch", when="%fj")
# support NVIDIA compilers
patch("nvhpc.patch", when="%nvhpc")
# Ignore compiler warnings while configuring # Ignore compiler warnings while configuring
patch("strictpass.patch", when="@:6.8.2") patch("strictpass.patch", when="@:6.8.2")

7
var/spack/repos/builtin/packages/cmake/package.py
View file

@ -118,6 +118,8 @@ class Cmake(Package):
'please use %apple-clang. ' 'please use %apple-clang. '
'See: https://gitlab.kitware.com/cmake/cmake/-/issues/21135') 'See: https://gitlab.kitware.com/cmake/cmake/-/issues/21135')
conflicts('%nvhpc')
# Really this should conflict since it's enabling or disabling openssl for # Really this should conflict since it's enabling or disabling openssl for
# CMake's internal copy of curl. Ideally we'd want a way to have the # CMake's internal copy of curl. Ideally we'd want a way to have the
# openssl variant disabled when ~ownlibs but there's not really a way to # openssl variant disabled when ~ownlibs but there's not really a way to
@ -163,6 +165,11 @@ class Cmake(Package):
# to combine C++ and Fortran programs. # to combine C++ and Fortran programs.
patch('fujitsu_add_linker_option.patch', when='%fj') patch('fujitsu_add_linker_option.patch', when='%fj')
# Remove -A from the C++ flags we use when CXX_EXTENSIONS is OFF
# Should be fixed in 3.19.
# https://gitlab.kitware.com/cmake/cmake/-/merge_requests/5025
patch('pgi-cxx-ansi.patch', when='@3.1:3.18.99')
conflicts('+qt', when='^qt@5.4.0') # qt-5.4.0 has broken CMake modules conflicts('+qt', when='^qt@5.4.0') # qt-5.4.0 has broken CMake modules
# https://gitlab.kitware.com/cmake/cmake/issues/18166 # https://gitlab.kitware.com/cmake/cmake/issues/18166

50
var/spack/repos/builtin/packages/cmake/pgi-cxx-ansi.patch Normal file
View file

@ -0,0 +1,50 @@
From 52eee1938919deb59cc2b51d44f365f0d9a418e5 Mon Sep 17 00:00:00 2001
From: Tin Huynh <ahuynh@nvidia.com>
Date: Thu, 16 Jul 2020 16:06:33 -0700
Subject: [PATCH] PGI: Remove -A from the C++ flags we use when CXX_EXTENSIONS
is OFF
Since commit 9b97cb5562 (PGI: Add language standards for PGI,
2017-05-01, v3.9.0-rc1~174^2), we have passed the `-A` flag to
the PGI C++ compiler when specifying a C++ standard flag with
compiler extensions turned off. The flag is not meant for that.
The PGI C++ standard flags do not turn extensions on by default
and have a separate `--gnu_extensions` flag for that which we
already use when CXX_EXTENSIONS is ON. Simply drop the `-A` flag.
Fixes: #20997
---
Modules/Compiler/PGI-CXX.cmake | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/Modules/Compiler/PGI-CXX.cmake b/Modules/Compiler/PGI-CXX.cmake
index c77de3605b..2d7a303c9b 100644
--- a/Modules/Compiler/PGI-CXX.cmake
+++ b/Modules/Compiler/PGI-CXX.cmake
@@ -4,19 +4,19 @@ string(APPEND CMAKE_CXX_FLAGS_MINSIZEREL_INIT " -DNDEBUG")
string(APPEND CMAKE_CXX_FLAGS_RELEASE_INIT " -DNDEBUG")
if(CMAKE_CXX_COMPILER_VERSION VERSION_GREATER_EQUAL 12.10)
- set(CMAKE_CXX98_STANDARD_COMPILE_OPTION -A)
+ set(CMAKE_CXX98_STANDARD_COMPILE_OPTION "")
set(CMAKE_CXX98_EXTENSION_COMPILE_OPTION --gnu_extensions)
set(CMAKE_CXX98_STANDARD__HAS_FULL_SUPPORT ON)
if(CMAKE_CXX_COMPILER_VERSION VERSION_GREATER_EQUAL 13.10)
- set(CMAKE_CXX11_STANDARD_COMPILE_OPTION --c++11 -A)
+ set(CMAKE_CXX11_STANDARD_COMPILE_OPTION --c++11)
set(CMAKE_CXX11_EXTENSION_COMPILE_OPTION --c++11 --gnu_extensions)
set(CMAKE_CXX11_STANDARD__HAS_FULL_SUPPORT ON)
if(CMAKE_CXX_COMPILER_VERSION VERSION_GREATER_EQUAL 15.7)
- set(CMAKE_CXX14_STANDARD_COMPILE_OPTION --c++14 -A)
+ set(CMAKE_CXX14_STANDARD_COMPILE_OPTION --c++14)
set(CMAKE_CXX14_EXTENSION_COMPILE_OPTION --c++14 --gnu_extensions)
set(CMAKE_CXX14_STANDARD__HAS_FULL_SUPPORT ON)
if(CMAKE_CXX_COMPILER_VERSION VERSION_GREATER_EQUAL 17.1)
- set(CMAKE_CXX17_STANDARD_COMPILE_OPTION --c++17 -A)
+ set(CMAKE_CXX17_STANDARD_COMPILE_OPTION --c++17)
set(CMAKE_CXX17_EXTENSION_COMPILE_OPTION --c++17 --gnu_extensions)
set(CMAKE_CXX17_STANDARD__HAS_FULL_SUPPORT ON)
endif()
--
GitLab

3
var/spack/repos/builtin/packages/cp2k/package.py
View file

@ -203,6 +203,7 @@ def edit(self, spec, prefix):
], ],
'intel': ['-O2', '-pc64', '-unroll', ], 'intel': ['-O2', '-pc64', '-unroll', ],
'pgi': ['-fast'], 'pgi': ['-fast'],
'nvhpc': ['-fast'],
'cray': ['-O2'], 'cray': ['-O2'],
'xl': ['-O3'], 'xl': ['-O3'],
} }
@ -241,7 +242,7 @@ def edit(self, spec, prefix):
'-ffree-line-length-none', '-ffree-line-length-none',
'-ggdb', # make sure we get proper Fortran backtraces '-ggdb', # make sure we get proper Fortran backtraces
] ]
elif '%pgi' in spec: elif '%pgi' in spec or '%nvhpc' in spec:
fcflags += ['-Mfreeform', '-Mextend'] fcflags += ['-Mfreeform', '-Mextend']
elif '%cray' in spec: elif '%cray' in spec:
fcflags += ['-emf', '-ffree', '-hflex_mp=strict'] fcflags += ['-emf', '-ffree', '-hflex_mp=strict']

35
var/spack/repos/builtin/packages/diffutils/nvhpc.patch Normal file
View file

@ -0,0 +1,35 @@
--- a/lib/xalloc-oversized.h 2020-08-07 08:03:53.257539226 -0700
+++ b/lib/xalloc-oversized.h 2020-08-07 07:57:54.024124785 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/lib/intprops.h 2020-08-07 07:58:37.233294093 -0700
+++ b/lib/intprops.h 2020-08-07 08:00:05.887641482 -0700
@@ -221,14 +221,14 @@
: (max) >> (b) < (a))
/* True if __builtin_add_overflow (A, B, P) works when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_OVERFLOW 1
#else
# define _GL_HAS_BUILTIN_OVERFLOW 0
#endif
/* True if __builtin_add_overflow_p (A, B, C) works. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands

2
var/spack/repos/builtin/packages/diffutils/package.py
View file

@ -22,6 +22,8 @@ class Diffutils(AutotoolsPackage, GNUMirrorPackage):
build_directory = 'spack-build' build_directory = 'spack-build'
patch('nvhpc.patch', when='@3.7 %nvhpc')
depends_on('iconv') depends_on('iconv')
def setup_build_environment(self, env): def setup_build_environment(self, env):

4
var/spack/repos/builtin/packages/ember/package.py
View file

@ -60,7 +60,9 @@ def edit(self, spec, prefix):
def build_targets(self): def build_targets(self):
targets = [] targets = []
cc = self.spec['mpi'].mpicc cc = self.spec['mpi'].mpicc
cflags = '-O3 -std=c99' cflags = '-O3'
if not self.spec.satisfies('%nvhpc'):
cflags = '-O3 -std=c99'
oshmem_cc = 'cc' oshmem_cc = 'cc'
oshmem_c_flags = '-O3 -g' oshmem_c_flags = '-O3 -g'

1
var/spack/repos/builtin/packages/ffmpeg/package.py
View file

@ -103,6 +103,7 @@ class Ffmpeg(AutotoolsPackage):
conflicts('+libwebp', when='@2.1.999:') conflicts('+libwebp', when='@2.1.999:')
conflicts('+libssh', when='@2.0.999:') conflicts('+libssh', when='@2.0.999:')
conflicts('+libzmq', when='@:1.999.999') conflicts('+libzmq', when='@:1.999.999')
conflicts('%nvhpc')
@property @property
def libs(self): def libs(self):

24
var/spack/repos/builtin/packages/fftw/package.py
View file

@ -141,6 +141,20 @@ def configure(self, spec, prefix):
# float only # float only
float_simd_features = ['altivec', 'sse'] float_simd_features = ['altivec', 'sse']
# Workaround NVIDIA compiler bug when avx512 is enabled
if spec.satisfies('%nvhpc') and 'avx512' in simd_features:
simd_features.remove('avx512')
# NVIDIA compiler does not support Altivec intrinsics
if spec.satisfies('%nvhpc') and 'vsx' in simd_features:
simd_features.remove('vsx')
if spec.satisfies('%nvhpc') and 'altivec' in float_simd_features:
float_simd_features.remove('altivec')
# NVIDIA compiler does not support Neon intrinsics
if spec.satisfies('%nvhpc') and 'neon' in simd_features:
simd_features.remove('neon')
simd_options = [] simd_options = []
for feature in simd_features: for feature in simd_features:
msg = '--enable-{0}' if feature in spec.target else '--disable-{0}' msg = '--enable-{0}' if feature in spec.target else '--disable-{0}'
@ -149,10 +163,12 @@ def configure(self, spec, prefix):
# If no features are found, enable the generic ones # If no features are found, enable the generic ones
if not any(f in spec.target for f in if not any(f in spec.target for f in
simd_features + float_simd_features): simd_features + float_simd_features):
simd_options += [ # Workaround NVIDIA compiler bug
'--enable-generic-simd128', if not spec.satisfies('%nvhpc'):
'--enable-generic-simd256' simd_options += [
] '--enable-generic-simd128',
'--enable-generic-simd256'
]
simd_options += [ simd_options += [
'--enable-fma' if 'fma' in spec.target else '--disable-fma' '--enable-fma' if 'fma' in spec.target else '--disable-fma'

22
var/spack/repos/builtin/packages/findutils/nvhpc.patch Normal file
View file

@ -0,0 +1,22 @@
--- a/gl/lib/xalloc-oversized.h 2020-08-21 06:54:54.059327027 -0700
+++ b/gl/lib/xalloc-oversized.h 2020-08-21 06:55:41.122512071 -0700
@@ -36,7 +36,7 @@
sizeof (ptrdiff_t) <= sizeof (size_t), so do not bother to test for
exactly-SIZE_MAX allocations on such hosts; this avoids a test and
branch when S is known to be 1. */
-#if 5 <= __GNUC__ || __has_builtin (__builtin_mul_overflow)
+#if ((5 <= __GNUC__ || __has_builtin (__builtin_mul_overflow)) && !defined __NVCOMPILER)
# define xalloc_oversized(n, s) \
({ size_t __xalloc_size; __builtin_mul_overflow (n, s, &__xalloc_size); })
#else
--- a/gl/lib/intprops.h 2020-08-21 06:55:49.065543300 -0700
+++ b/gl/lib/intprops.h 2020-08-21 06:58:10.362070878 -0700
@@ -354,7 +354,7 @@
/* Store A <op> B into *R, where OP specifies the operation.
BUILTIN is the builtin operation, and OVERFLOW the overflow predicate.
See above for restrictions. */
-#if 5 <= __GNUC__ || __has_builtin (__builtin_add_overflow)
+#if ((5 <= __GNUC__ || __has_builtin (__builtin_add_overflow)) && !defined __NVCOMPILER)
# define _GL_INT_OP_WRAPV(a, b, r, op, builtin, overflow) builtin (a, b, r)
#elif 201112 <= __STDC_VERSION__ && !_GL__GENERIC_BOGUS
# define _GL_INT_OP_WRAPV(a, b, r, op, builtin, overflow) \

2
var/spack/repos/builtin/packages/findutils/package.py
View file

@ -46,6 +46,8 @@ class Findutils(AutotoolsPackage, GNUMirrorPackage):
patch('https://src.fedoraproject.org/rpms/findutils/raw/97ba2d7a18d1f9ae761b6ff0b4f1c4d33d7a8efc/f/findutils-4.6.0-gnulib-fflush.patch', sha256='84b916c0bf8c51b7e7b28417692f0ad3e7030d1f3c248ba77c42ede5c1c5d11e', when='@4.6.0') patch('https://src.fedoraproject.org/rpms/findutils/raw/97ba2d7a18d1f9ae761b6ff0b4f1c4d33d7a8efc/f/findutils-4.6.0-gnulib-fflush.patch', sha256='84b916c0bf8c51b7e7b28417692f0ad3e7030d1f3c248ba77c42ede5c1c5d11e', when='@4.6.0')
patch('https://src.fedoraproject.org/rpms/findutils/raw/97ba2d7a18d1f9ae761b6ff0b4f1c4d33d7a8efc/f/findutils-4.6.0-gnulib-makedev.patch', sha256='bd9e4e5cc280f9753ae14956c4e4aa17fe7a210f55dd6c84aa60b12d106d47a2', when='@4.6.0') patch('https://src.fedoraproject.org/rpms/findutils/raw/97ba2d7a18d1f9ae761b6ff0b4f1c4d33d7a8efc/f/findutils-4.6.0-gnulib-makedev.patch', sha256='bd9e4e5cc280f9753ae14956c4e4aa17fe7a210f55dd6c84aa60b12d106d47a2', when='@4.6.0')
patch('nvhpc.patch', when='%nvhpc')
build_directory = 'spack-build' build_directory = 'spack-build'
@classmethod @classmethod

12
var/spack/repos/builtin/packages/fltk/package.py
View file

@ -51,3 +51,15 @@ def install(self, spec, prefix):
configure(*options) configure(*options)
make() make()
make('install') make('install')
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('OPTIM="-Wall -Wunused -Wno-format-y2k $OPTIM"',
'OPTIM="-Wall $OPTIM"', 'configure', string=True)
filter_file('OPTIM="-Os $OPTIM"', 'OPTIM="-O2 $OPTIM"',
'configure', string=True)
filter_file('CXXFLAGS="$CXXFLAGS -fvisibility=hidden"',
'CXXFLAGS="$CXXFLAGS"', 'configure', string=True)
filter_file('OPTIM="$OPTIM -fvisibility=hidden"',
'OPTIM="$OPTIM"', 'configure', string=True)

166
var/spack/repos/builtin/packages/gettext/nvhpc-builtin.patch Normal file
View file

@ -0,0 +1,166 @@
--- a/gettext-runtime/gnulib-lib/xalloc-oversized.h 2020-08-21 07:51:29.459375578 -0700
+++ b/gettext-runtime/gnulib-lib/xalloc-oversized.h 2020-08-21 07:53:18.571795663 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/gettext-runtime/gnulib-lib/intprops.h 2020-08-21 07:51:20.668341900 -0700
+++ b/gettext-runtime/gnulib-lib/intprops.h 2020-08-21 07:52:43.906661856 -0700
@@ -222,7 +222,7 @@
/* True if __builtin_add_overflow (A, B, P) and __builtin_sub_overflow
(A, B, P) work when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW 1
-#elif defined __has_builtin
+#elif defined __has_builtin && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW __has_builtin (__builtin_add_overflow)
@@ -240,7 +240,7 @@
/* True if __builtin_add_overflow_p (A, B, C) works, and similarly for
__builtin_mul_overflow_p and __builtin_mul_overflow_p. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands
--- a/gettext-tools/gnulib-lib/xalloc-oversized.h 2020-08-21 10:19:23.875281647 -0700
+++ b/gettext-tools/gnulib-lib/xalloc-oversized.h 2020-08-21 10:20:40.650583499 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/gettext-tools/gnulib-lib/intprops.h 2020-08-21 10:18:38.650103825 -0700
+++ b/gettext-tools/gnulib-lib/intprops.h 2020-08-21 10:19:12.379236445 -0700
@@ -222,7 +222,7 @@
/* True if __builtin_add_overflow (A, B, P) and __builtin_sub_overflow
(A, B, P) work when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW 1
-#elif defined __has_builtin
+#elif defined __has_builtin && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW __has_builtin (__builtin_add_overflow)
@@ -240,7 +240,7 @@
/* True if __builtin_add_overflow_p (A, B, C) works, and similarly for
__builtin_mul_overflow_p and __builtin_mul_overflow_p. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands
--- a/gettext-tools/libgrep/intprops.h 2020-08-21 10:31:00.726022663 -0700
+++ b/gettext-tools/libgrep/intprops.h 2020-08-21 10:31:29.946137693 -0700
@@ -222,7 +222,7 @@
/* True if __builtin_add_overflow (A, B, P) and __builtin_sub_overflow
(A, B, P) work when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW 1
-#elif defined __has_builtin
+#elif defined __has_builtin && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW __has_builtin (__builtin_add_overflow)
@@ -240,7 +240,7 @@
/* True if __builtin_add_overflow_p (A, B, C) works, and similarly for
__builtin_mul_overflow_p and __builtin_mul_overflow_p. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands
--- a/gettext-tools/libgettextpo/xalloc-oversized.h 2020-08-21 11:19:50.065564273 -0700
+++ b/gettext-tools/libgettextpo/xalloc-oversized.h 2020-08-21 11:21:14.732898185 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/gettext-tools/libgettextpo/intprops.h 2020-08-21 11:19:58.703598336 -0700
+++ b/gettext-tools/libgettextpo/intprops.h 2020-08-21 11:20:37.612751786 -0700
@@ -222,7 +222,7 @@
/* True if __builtin_add_overflow (A, B, P) and __builtin_sub_overflow
(A, B, P) work when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW 1
-#elif defined __has_builtin
+#elif defined __has_builtin && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW __has_builtin (__builtin_add_overflow)
@@ -240,7 +240,7 @@
/* True if __builtin_add_overflow_p (A, B, C) works, and similarly for
__builtin_mul_overflow_p and __builtin_mul_overflow_p. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands
--- a/libtextstyle/lib/xalloc-oversized.h 2020-08-21 11:30:13.488022919 -0700
+++ b/libtextstyle/lib/xalloc-oversized.h 2020-08-21 11:31:26.561311097 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/libtextstyle/lib/intprops.h 2020-08-21 11:30:24.283065492 -0700
+++ b/libtextstyle/lib/intprops.h 2020-08-21 11:30:54.415184325 -0700
@@ -222,7 +222,7 @@
/* True if __builtin_add_overflow (A, B, P) and __builtin_sub_overflow
(A, B, P) work when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW 1
-#elif defined __has_builtin
+#elif defined __has_builtin && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_ADD_OVERFLOW __has_builtin (__builtin_add_overflow)
@@ -240,7 +240,7 @@
/* True if __builtin_add_overflow_p (A, B, C) works, and similarly for
__builtin_mul_overflow_p and __builtin_mul_overflow_p. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands

31
var/spack/repos/builtin/packages/gettext/nvhpc-export-symbols.patch Normal file
View file

@ -0,0 +1,31 @@
--- a/gettext-runtime/intl/Makefile.in 2020-08-21 08:39:59.102729081 -0700
+++ b/gettext-runtime/intl/Makefile.in 2020-08-21 08:40:07.425761760 -0700
@@ -1471,7 +1471,6 @@
OTHER_LDFLAGS = \
@LTLIBICONV@ @INTL_MACOSX_LIBS@ $(INTL_WINDOWS_LIBS) @LTLIBTHREAD@ \
-no-undefined \
- -export-symbols-regex '^([^g]|g[^l]|gl[^w]|glw[^t]|glwt[^h]|glwth[^r]|glwthr[^e]|glwthre[^a]|glwthrea[^d]).*' \
-version-info $(LTV_CURRENT):$(LTV_REVISION):$(LTV_AGE) \
-rpath $(libdir)
--- a/gettext-tools/intl/Makefile.in 2020-08-21 07:57:18.357721212 -0700
+++ b/gettext-tools/intl/Makefile.in 2020-08-21 07:57:29.051762490 -0700
@@ -2296,7 +2296,6 @@
OTHER_LDFLAGS = \
@LTLIBICONV@ @INTL_MACOSX_LIBS@ $(INTL_WINDOWS_LIBS) @LTLIBTHREAD@ \
-no-undefined \
- -export-symbols-regex '^([^g]|g[^l]|gl[^w]|glw[^t]|glwt[^h]|glwth[^r]|glwthr[^e]|glwthre[^a]|glwthrea[^d]).*' \
-version-info $(LTV_CURRENT):$(LTV_REVISION):$(LTV_AGE) \
-rpath $(libdir)
--- a/libtextstyle/lib/Makefile.in 2020-08-21 08:49:08.277982271 -0700
+++ b/libtextstyle/lib/Makefile.in 2020-08-21 08:49:19.675030561 -0700
@@ -1917,7 +1917,7 @@
libtextstyle_la_LDFLAGS = $(AM_LDFLAGS) -no-undefined $(FABS_LIBM) \
$(ISNAND_LIBM) $(ISNANF_LIBM) $(ISNANL_LIBM) $(LOG10_LIBM) \
$(LTLIBICONV) $(LTLIBINTL) $(POW_LIBM) $(am__append_8) \
- -no-undefined -export-symbols libtextstyle.sym -version-info \
+ -no-undefined -version-info \
$(LTV_CURRENT):$(LTV_REVISION):$(LTV_AGE) -rpath $(libdir)
# Use this preprocessor expression to decide whether #include_next works.

17
var/spack/repos/builtin/packages/gettext/nvhpc-long-width.patch Normal file
View file

@ -0,0 +1,17 @@
--- a/gettext-tools/libgrep/regex_internal.h 2020-08-21 09:14:20.039942370 -0700
+++ b/gettext-tools/libgrep/regex_internal.h 2020-08-21 10:06:57.840331452 -0700
@@ -35,6 +35,14 @@
#include <intprops.h>
#include <verify.h>
+#ifndef __LONG_WIDTH__
+#if LONG_WIDTH
+#define __LONG_WIDTH__ LONG_WIDTH
+#else
+#define __LONG_WIDTH__ __WORDSIZE
+#endif
+#endif
+
#if defined DEBUG && DEBUG != 0
# include <assert.h>
# define DEBUG_ASSERT(x) assert (x)

3
var/spack/repos/builtin/packages/gettext/package.py
View file

@ -47,6 +47,9 @@ class Gettext(AutotoolsPackage, GNUMirrorPackage):
# depends_on('cvs') # depends_on('cvs')
patch('test-verify-parallel-make-check.patch', when='@:0.19.8.1') patch('test-verify-parallel-make-check.patch', when='@:0.19.8.1')
patch('nvhpc-builtin.patch', when='%nvhpc')
patch('nvhpc-export-symbols.patch', when='%nvhpc')
patch('nvhpc-long-width.patch', when='%nvhpc')
def configure_args(self): def configure_args(self):
spec = self.spec spec = self.spec

26
var/spack/repos/builtin/packages/gromacs/package.py
View file

@ -75,6 +75,8 @@ class Gromacs(CMakePackage):
description='GMX_RELAXED_DOUBLE_PRECISION for Fujitsu PRIMEHPC') description='GMX_RELAXED_DOUBLE_PRECISION for Fujitsu PRIMEHPC')
variant('hwloc', default=True, variant('hwloc', default=True,
description='Use the hwloc portable hardware locality library') description='Use the hwloc portable hardware locality library')
variant('lapack', default=False,
description='Enables an external LAPACK library')
depends_on('mpi', when='+mpi') depends_on('mpi', when='+mpi')
# define matching plumed versions # define matching plumed versions
@ -95,6 +97,7 @@ class Gromacs(CMakePackage):
depends_on('cmake@3.13.0:3.99.99', type='build', when='@master') depends_on('cmake@3.13.0:3.99.99', type='build', when='@master')
depends_on('cmake@3.13.0:3.99.99', type='build', when='%fj') depends_on('cmake@3.13.0:3.99.99', type='build', when='%fj')
depends_on('cuda', when='+cuda') depends_on('cuda', when='+cuda')
depends_on('lapack', when='+lapack')
# TODO: openmpi constraint; remove when concretizer is fixed # TODO: openmpi constraint; remove when concretizer is fixed
depends_on('hwloc@:1.999', when='+hwloc') depends_on('hwloc@:1.999', when='+hwloc')
@ -106,6 +109,10 @@ def patch(self):
if '+plumed' in self.spec: if '+plumed' in self.spec:
self.spec['plumed'].package.apply_patch(self) self.spec['plumed'].package.apply_patch(self)
if self.spec.satisfies('%nvhpc'):
# Disable obsolete workaround
filter_file('ifdef __PGI', 'if 0', 'src/gromacs/fileio/xdrf.h')
def cmake_args(self): def cmake_args(self):
options = [] options = []
@ -142,6 +149,14 @@ def cmake_args(self):
if '+opencl' in self.spec: if '+opencl' in self.spec:
options.append('-DGMX_USE_OPENCL=on') options.append('-DGMX_USE_OPENCL=on')
if '+lapack' in self.spec:
options.append('-DGMX_EXTERNAL_LAPACK:BOOL=ON')
if self.spec['lapack'].libs:
options.append('-DLAPACK_LIBRARIES={0}'.format(
self.spec['lapack'].libs.joined(';')))
else:
options.append('-DGMX_EXTERNAL_LAPACK:BOOL=OFF')
# Activate SIMD based on properties of the target # Activate SIMD based on properties of the target
target = self.spec.target target = self.spec.target
if target >= llnl.util.cpu.targets['zen2']: if target >= llnl.util.cpu.targets['zen2']:
@ -158,7 +173,10 @@ def cmake_args(self):
options.append('-DGMX_SIMD=IBM_VSX') options.append('-DGMX_SIMD=IBM_VSX')
elif target.family == llnl.util.cpu.targets['aarch64']: elif target.family == llnl.util.cpu.targets['aarch64']:
# ARMv8 # ARMv8
options.append('-DGMX_SIMD=ARM_NEON_ASIMD') if self.spec.satisfies('%nvhpc'):
options.append('-DGMX_SIMD=None')
else:
options.append('-DGMX_SIMD=ARM_NEON_ASIMD')
elif target == llnl.util.cpu.targets['mic_knl']: elif target == llnl.util.cpu.targets['mic_knl']:
# Intel KNL # Intel KNL
options.append('-DGMX_SIMD=AVX_512_KNL') options.append('-DGMX_SIMD=AVX_512_KNL')
@ -172,6 +190,12 @@ def cmake_args(self):
('avx2', 'AVX2_256'), ('avx2', 'AVX2_256'),
('avx512', 'AVX_512'), ('avx512', 'AVX_512'),
] ]
# Workaround NVIDIA compiler bug when avx512 is enabled
if (self.spec.satisfies('%nvhpc') and
('avx512', 'AVX_512') in simd_features):
simd_features.remove(('avx512', 'AVX_512'))
for feature, flag in reversed(simd_features): for feature, flag in reversed(simd_features):
if feature in target: if feature in target:
options.append('-DGMX_SIMD:STRING={0}'.format(flag)) options.append('-DGMX_SIMD:STRING={0}'.format(flag))

7
var/spack/repos/builtin/packages/json-cwx/package.py
View file

@ -27,3 +27,10 @@ def autoreconf(self, spec, prefix):
with working_dir('json-cwx'): with working_dir('json-cwx'):
autogen = Executable("./autogen.sh") autogen = Executable("./autogen.sh")
autogen() autogen()
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('-Wno-error=deprecated-declarations -Wextra '
'-Wwrite-strings -Wno-unused-parameter -std=gnu99',
'', 'json-cwx/Makefile.am.inc')

60
var/spack/repos/builtin/packages/libbsd/nvhpc.patch Normal file
View file

@ -0,0 +1,60 @@
--- a/src/fgetln.c 2020-08-07 09:17:09.456951858 -0700
+++ b/src/fgetln.c 2020-08-07 09:16:12.471731317 -0700
@@ -25,6 +25,7 @@
* ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
+#include "config.h"
#include <stdio.h>
#include <sys/cdefs.h>
#include <sys/types.h>
--- a/src/fpurge.c 2020-08-07 09:17:00.871918633 -0700
+++ b/src/fpurge.c 2020-08-07 09:15:55.436665389 -0700
@@ -24,6 +24,7 @@
* ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
+#include "config.h"
#include <errno.h>
#include <stdio.h>
#include <stdio_ext.h>
--- a/src/funopen.c 2020-08-07 09:16:52.566886490 -0700
+++ b/src/funopen.c 2020-08-07 09:17:25.206012812 -0700
@@ -24,6 +24,7 @@
* ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
+#include "config.h"
#include <sys/cdefs.h>
#include <sys/types.h>
#include <errno.h>
--- a/src/getpeereid.c 2020-08-07 09:25:13.822834376 -0700
+++ b/src/getpeereid.c 2020-08-07 09:25:27.802889361 -0700
@@ -24,6 +24,7 @@
* ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
+#include "config.h"
#include <sys/cdefs.h>
#include <sys/param.h>
--- a/src/progname.c 2020-08-07 09:23:02.168316940 -0700
+++ b/src/progname.c 2020-08-07 09:23:09.840346776 -0700
@@ -30,6 +30,7 @@
* <https://sourceware.org/ml/libc-alpha/2006-03/msg00125.html>.
*/
+#include "config.h"
#include <errno.h>
#include <string.h>
#include <stdlib.h>
--- a/src/setproctitle.c 2020-08-07 09:21:49.003033771 -0700
+++ b/src/setproctitle.c 2020-08-07 09:22:09.161111787 -0700
@@ -22,6 +22,7 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE.
*/
+#include "config.h"
#include <errno.h>
#include <stddef.h>
#include <stdarg.h>

11
var/spack/repos/builtin/packages/libbsd/package.py
View file

@ -27,6 +27,17 @@ class Libbsd(AutotoolsPackage):
patch('cdefs.h.patch', when='@0.8.6 %gcc@:4') patch('cdefs.h.patch', when='@0.8.6 %gcc@:4')
patch('local-elf.h.patch', when='%intel') patch('local-elf.h.patch', when='%intel')
patch('nvhpc.patch', when='%nvhpc')
# https://gitlab.freedesktop.org/libbsd/libbsd/issues/1 # https://gitlab.freedesktop.org/libbsd/libbsd/issues/1
conflicts('platform=darwin') conflicts('platform=darwin')
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%pgi') or self.spec.satisfies('%nvhpc'):
filter_file('-isystem', '-I', 'src/Makefile.in')
# This is not a 1 for 1 replacement, requiring nvhpc.patch
# to include config.h where needed
filter_file('-include ', '-I ', 'src/Makefile.in')
filter_file('-Wall -Wextra -Wno-unused-variable '
'-Wno-unused-parameter', '-Wall', 'configure')

7
var/spack/repos/builtin/packages/libint/package.py
View file

@ -195,3 +195,10 @@ def install(self, spec, prefix):
configure(*options) configure(*options)
make() make()
make('install') make('install')
def patch(self):
# Use Fortran compiler to link the Fortran example, not the C++
# compiler
if '+fortran' in self.spec and self.spec.satisfies('%nvhpc'):
filter_file('$(CXX) $(CXXFLAGS)', '$(FC) $(FCFLAGS)',
'export/fortran/Makefile', string=True)

11
var/spack/repos/builtin/packages/libpciaccess/nvhpc.patch Normal file
View file

@ -0,0 +1,11 @@
--- a/include/pciaccess.h 2020-08-07 11:43:47.395032509 -0700
+++ b/include/pciaccess.h 2020-08-07 11:44:13.384136014 -0700
@@ -59,7 +59,7 @@
#include <inttypes.h>
-#if (__GNUC__ >= 3) || (__SUNPRO_C >= 0x5130)
+#if (((__GNUC__ >= 3) || (__SUNPRO_C >= 0x5130)) && !defined __NVCOMPILER)
#define __deprecated __attribute__((deprecated))
#else
#define __deprecated

13
var/spack/repos/builtin/packages/libpciaccess/package.py
View file

@ -20,6 +20,8 @@ class Libpciaccess(AutotoolsPackage, XorgPackage):
depends_on('pkgconfig', type='build') depends_on('pkgconfig', type='build')
depends_on('util-macros', type='build') depends_on('util-macros', type='build')
patch('nvhpc.patch', when='%nvhpc')
# A known issue exists when building with PGI as documented here: # A known issue exists when building with PGI as documented here:
# https://bugs.freedesktop.org/show_bug.cgi?id=94398 # https://bugs.freedesktop.org/show_bug.cgi?id=94398
# https://www.pgroup.com/userforum/viewtopic.php?f=4&t=5126 # https://www.pgroup.com/userforum/viewtopic.php?f=4&t=5126
@ -28,3 +30,14 @@ class Libpciaccess(AutotoolsPackage, XorgPackage):
# When the ability to use dependencies built by another compiler, using a # When the ability to use dependencies built by another compiler, using a
# libpciaccess built by gcc should be usable by PGI builds. # libpciaccess built by gcc should be usable by PGI builds.
conflicts('%pgi') conflicts('%pgi')
def configure_args(self):
config_args = []
if (self.spec.satisfies('%nvhpc') and
(self.spec.target.family == 'aarch64' or
self.spec.target.family == 'ppc64le')):
config_args.append('--disable-strict-compilation')
config_args.append('--disable-selective-werror')
return config_args

6
var/spack/repos/builtin/packages/libtiff/package.py
View file

@ -23,3 +23,9 @@ class Libtiff(AutotoolsPackage):
depends_on('jpeg') depends_on('jpeg')
depends_on('zlib') depends_on('zlib')
depends_on('xz') depends_on('xz')
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('vl_cv_prog_cc_warnings="-Wall -W"',
'vl_cv_prog_cc_warnings="-Wall"', 'configure')

6
var/spack/repos/builtin/packages/libtool/package.py
View file

@ -51,6 +51,12 @@ def libs(self):
def _make_executable(self, name): def _make_executable(self, name):
return Executable(join_path(self.prefix.bin, name)) return Executable(join_path(self.prefix.bin, name))
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('-fno-builtin', '-Mnobuiltin', 'configure')
filter_file('-fno-builtin', '-Mnobuiltin', 'libltdl/configure')
def setup_dependent_build_environment(self, env, dependent_spec): def setup_dependent_build_environment(self, env, dependent_spec):
env.append_path('ACLOCAL_PATH', self.prefix.share.aclocal) env.append_path('ACLOCAL_PATH', self.prefix.share.aclocal)

9
var/spack/repos/builtin/packages/libx11/package.py
View file

@ -27,6 +27,15 @@ class Libx11(AutotoolsPackage, XorgPackage):
depends_on('util-macros', type='build') depends_on('util-macros', type='build')
depends_on('perl', type='build') depends_on('perl', type='build')
def configure_args(self):
config_args = []
# -Werror flags are not properly interpreted by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
config_args.append('--disable-selective-werror')
return config_args
def setup_dependent_build_environment(self, env, dependent_spec): def setup_dependent_build_environment(self, env, dependent_spec):
env.prepend_path('XLOCALEDIR', self.prefix.share.X11.locale) env.prepend_path('XLOCALEDIR', self.prefix.share.X11.locale)

75
var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch Normal file
View file

@ -0,0 +1,75 @@
--- a/configure 2020-09-24 11:13:16.306629033 -0700
+++ b/configure 2020-09-24 11:14:16.412221646 -0700
@@ -8908,7 +8908,7 @@
lt_prog_compiler_pic='-fPIC'
lt_prog_compiler_static='-static'
;;
- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*)
# Portland Group compilers (*not* the Pentium gcc compiler,
# which looks to be a dead project)
lt_prog_compiler_wl='-Wl,'
@@ -9547,11 +9547,11 @@
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
- pgcc*) # Portland Group C compiler
+ pgcc* | nvc) # Portland Group C compiler
whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
- pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*)
# Portland Group f77 and f90 compilers
whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;
@@ -13810,7 +13810,7 @@
ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
ac_compiler_gnu=$ac_cv_fc_compiler_gnu
if test -n "$ac_tool_prefix"; then
- for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor
+ for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 nvfortran lf95 ftn nagfor
do
# Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
set dummy $ac_tool_prefix$ac_prog; ac_word=$2
@@ -13854,7 +13854,7 @@
fi
if test -z "$FC"; then
ac_ct_FC=$FC
- for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor
+ for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 nvfortran lf95 ftn nagfor
do
# Extract the first word of "$ac_prog", so it can be a program name with args.
set dummy $ac_prog; ac_word=$2
@@ -14545,7 +14545,7 @@
lt_prog_compiler_pic_FC='-fPIC'
lt_prog_compiler_static_FC='-static'
;;
- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*)
# Portland Group compilers (*not* the Pentium gcc compiler,
# which looks to be a dead project)
lt_prog_compiler_wl_FC='-Wl,'
@@ -14587,7 +14587,7 @@
lt_prog_compiler_pic_FC='-fPIC'
lt_prog_compiler_static_FC='-static'
;;
- *Portland\ Group*)
+ *Portland\ Group* | *NVIDIA\ Compilers* | *PGI\ Compilers*)
lt_prog_compiler_wl_FC='-Wl,'
lt_prog_compiler_pic_FC='-fpic'
lt_prog_compiler_static_FC='-Bstatic'
@@ -15169,11 +15169,11 @@
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
- pgcc*) # Portland Group C compiler
+ pgcc* | nvc) # Portland Group C compiler
whole_archive_flag_spec_FC='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
- pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*)
# Portland Group f77 and f90 compilers
whole_archive_flag_spec_FC='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;

77
var/spack/repos/builtin/packages/libxc/nvhpc-libtool.patch Normal file
View file

@ -0,0 +1,77 @@
From b71206582131f88f6602a40e4c67e3d92b119229 Mon Sep 17 00:00:00 2001
From: Tin Huynh <ahuynh@nvidia.com>
Date: Mon, 27 Jul 2020 15:15:47 -0700
Subject: [PATCH] Recognize new Nvidia compilers.
With the upcoming release of HPC-SDK, updating Libtool to recognize Nvidia
compilers (nvc, nvc++, nvfortran).
---
m4/libtool.m4 | 21 ++++++++++-----------
1 file changed, 10 insertions(+), 11 deletions(-)
diff --git a/m4/libtool.m4 b/m4/libtool.m4
index f2d1f39..4eac689 100644
--- a/m4/libtool.m4
+++ b/m4/libtool.m4
@@ -4402,8 +4402,8 @@ m4_if([$1], [CXX], [
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
- pgCC* | pgcpp*)
- # Portland Group C++ compiler
+ pgCC* | pgcpp* | pgc\+\+* | nvc\+\+*)
+ # NVIDIA HPC C++ compiler
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
@@ -4739,9 +4739,8 @@ m4_if([$1], [CXX], [
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
- # Portland Group compilers (*not* the Pentium gcc compiler,
- # which looks to be a dead project)
+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*)
+ # NVIDIA HPC Compilers
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
@@ -4781,7 +4780,7 @@ m4_if([$1], [CXX], [
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
- *Portland\ Group*)
+ *Portland\ Group* | *NVIDIA\ Compilers* | *PGI\ Compilers*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
@@ -5209,12 +5208,12 @@ _LT_EOF
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
- pgcc*) # Portland Group C compiler
+ pgcc* | nvc) # NVIDIA HPC C++ Compiler
_LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
- pgf77* | pgf90* | pgf95* | pgfortran*)
- # Portland Group f77 and f90 compilers
+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*)
+ # NVIDIA HPC Fortran Compilers
_LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;
ecc*,ia64* | icc*,ia64*) # Intel C compiler on ia64
@@ -7004,8 +7003,8 @@ if test yes != "$_lt_caught_CXX_error"; then
_LT_TAGVAR(export_dynamic_flag_spec, $1)='$wl--export-dynamic'
_LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive$convenience $wl--no-whole-archive'
;;
- pgCC* | pgcpp*)
- # Portland Group C++ compiler
+ pgCC* | pgcpp* | pgc\+\+* | nvc\+\+*)
+ # NVIDIA HPC C++ compiler
case `$CC -V` in
*pgCC\ [[1-5]].* | *pgcpp\ [[1-5]].*)
_LT_TAGVAR(prelink_cmds, $1)='tpldir=Template.dir~
--
2.7.4

3
var/spack/repos/builtin/packages/libxc/package.py
View file

@ -29,6 +29,9 @@ class Libxc(AutotoolsPackage, CudaPackage):
patch('0001-Bugfix-avoid-implicit-pointer-cast-to-make-libxc-com.patch', when='@5.0.0') patch('0001-Bugfix-avoid-implicit-pointer-cast-to-make-libxc-com.patch', when='@5.0.0')
patch('0002-Mark-xc_erfcx-a-GPU_FUNCTION.patch', when='@5.0.0') patch('0002-Mark-xc_erfcx-a-GPU_FUNCTION.patch', when='@5.0.0')
patch('nvhpc-configure.patch', when='%nvhpc')
patch('nvhpc-libtool.patch', when='@develop %nvhpc')
@property @property
def libs(self): def libs(self):
"""Libxc can be queried for the following parameters: """Libxc can be queried for the following parameters:

9
var/spack/repos/builtin/packages/libxcb/package.py
View file

@ -39,6 +39,15 @@ class Libxcb(AutotoolsPackage):
depends_on('pkgconfig', type='build') depends_on('pkgconfig', type='build')
depends_on('util-macros', type='build') depends_on('util-macros', type='build')
def configure_args(self):
config_args = []
# -Werror flags are not properly interpreted by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
config_args.append('--disable-selective-werror')
return config_args
def patch(self): def patch(self):
filter_file( filter_file(
'typedef struct xcb_auth_info_t {', 'typedef struct xcb_auth_info_t {',

34
var/spack/repos/builtin/packages/libxml2/nvhpc-configure.patch Normal file
View file

@ -0,0 +1,34 @@
--- a/configure 2020-08-24 14:05:58.117448257 -0700
+++ b/configure 2020-08-24 14:08:33.040348242 -0700
@@ -9184,7 +9184,7 @@
lt_prog_compiler_pic='-fPIC'
lt_prog_compiler_static='-static'
;;
- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*)
# Portland Group compilers (*not* the Pentium gcc compiler,
# which looks to be a dead project)
lt_prog_compiler_wl='-Wl,'
@@ -9226,7 +9226,7 @@
lt_prog_compiler_pic='-fPIC'
lt_prog_compiler_static='-static'
;;
- *Portland\ Group*)
+ *Portland\ Group* | *NVIDIA\ Compilers* | *PGI\ Compilers*)
lt_prog_compiler_wl='-Wl,'
lt_prog_compiler_pic='-fpic'
lt_prog_compiler_static='-Bstatic'
@@ -9823,11 +9823,11 @@
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
- pgcc*) # Portland Group C compiler
+ pgcc* | nvc) # Portland Group C compiler
whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
- pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*)
# Portland Group f77 and f90 compilers
whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;

11
var/spack/repos/builtin/packages/libxml2/nvhpc-elfgcchack.patch Normal file
View file

@ -0,0 +1,11 @@
--- a/elfgcchack.h 2020-08-19 07:55:24.340192000 -0700
+++ b/elfgcchack.h 2020-08-19 07:55:39.952437000 -0700
@@ -9,7 +9,7 @@
*/
#ifdef IN_LIBXML
-#ifdef __GNUC__
+#if defined __GNUC__ && !defined __NVCOMPILER
#ifdef PIC
#ifdef __linux__
#if (__GNUC__ == 3 && __GNUC_MINOR__ >= 3) || (__GNUC__ > 3)

14
var/spack/repos/builtin/packages/libxml2/package.py
View file

@ -39,6 +39,9 @@ class Libxml2(AutotoolsPackage):
resource(name='xmlts', url='https://www.w3.org/XML/Test/xmlts20080827.tar.gz', resource(name='xmlts', url='https://www.w3.org/XML/Test/xmlts20080827.tar.gz',
sha256='96151685cec997e1f9f3387e3626d61e6284d4d6e66e0e440c209286c03e9cc7') sha256='96151685cec997e1f9f3387e3626d61e6284d4d6e66e0e440c209286c03e9cc7')
patch('nvhpc-configure.patch', when='%nvhpc')
patch('nvhpc-elfgcchack.patch', when='%nvhpc')
@property @property
def headers(self): def headers(self):
include_dir = self.spec.prefix.include.libxml2 include_dir = self.spec.prefix.include.libxml2
@ -62,6 +65,17 @@ def configure_args(self):
return args return args
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('-pedantic -Wall -Wextra -Wshadow -Wpointer-arith '
'-Wcast-align -Wwrite-strings -Waggregate-return '
'-Wstrict-prototypes -Wmissing-prototypes '
'-Wnested-externs -Winline -Wredundant-decls',
'-Wall', 'configure')
filter_file('-Wno-long-long -Wno-format-extra-args', '',
'configure')
@run_after('install') @run_after('install')
@on_package_attributes(run_tests=True) @on_package_attributes(run_tests=True)
def import_module_test(self): def import_module_test(self):

17
var/spack/repos/builtin/packages/lz4/package.py
View file

@ -34,14 +34,27 @@ def url_for_version(self, version):
return "{0}/r{1}.tar.gz".format(url, version.joined) return "{0}/r{1}.tar.gz".format(url, version.joined)
def build(self, spec, prefix): def build(self, spec, prefix):
par = True
if spec.compiler.name == 'nvhpc':
# relocation error when building shared and dynamic libs in
# parallel
par = False
if sys.platform != "darwin": if sys.platform != "darwin":
make('MOREFLAGS=-lrt') # fixes make error on CentOS6 make('MOREFLAGS=-lrt', parallel=par) # fixes make error on CentOS6
else: else:
make() make(parallel=par)
def install(self, spec, prefix): def install(self, spec, prefix):
make('install', 'PREFIX={0}'.format(prefix)) make('install', 'PREFIX={0}'.format(prefix))
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('-fvisibility=hidden', '', 'Makefile')
filter_file('-fvisibility=hidden', '', 'lib/Makefile')
filter_file('-pedantic', '', 'Makefile')
@run_after('install') @run_after('install')
def darwin_fix(self): def darwin_fix(self):
if sys.platform == 'darwin': if sys.platform == 'darwin':

34
var/spack/repos/builtin/packages/m4/nvhpc.patch Normal file
View file

@ -0,0 +1,34 @@
--- a/lib/xalloc-oversized.h 2020-08-07 11:04:56.154698639 -0700
+++ b/lib/xalloc-oversized.h 2020-08-07 11:06:11.667997389 -0700
@@ -46,13 +46,13 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__ || __has_builtin (__builtin_add_overflow_p)
+#if ((7 <= __GNUC__ || __has_builtin (__builtin_add_overflow_p)) && !defined __NVCOMPILER)
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
#elif ((5 <= __GNUC__ \
|| (__has_builtin (__builtin_mul_overflow) \
&& __has_builtin (__builtin_constant_p))) \
- && !__STRICT_ANSI__)
+ && !__STRICT_ANSI__ && !defined __NVCOMPILER)
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/lib/intprops.h 2020-08-07 11:06:15.508012580 -0700
+++ b/lib/intprops.h 2020-08-07 11:07:54.379403731 -0700
@@ -242,11 +242,11 @@
/* True if __builtin_add_overflow (A, B, P) works when P is non-null. */
#define _GL_HAS_BUILTIN_OVERFLOW \
- (5 <= __GNUC__ || __has_builtin (__builtin_add_overflow))
+ ((5 <= __GNUC__ || __has_builtin (__builtin_add_overflow)) && !defined __NVCOMPILER)
/* True if __builtin_add_overflow_p (A, B, C) works. */
#define _GL_HAS_BUILTIN_OVERFLOW_P \
- (7 <= __GNUC__ || __has_builtin (__builtin_add_overflow_p))
+ ((7 <= __GNUC__ || __has_builtin (__builtin_add_overflow_p)) && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands

1
var/spack/repos/builtin/packages/m4/package.py
View file

@ -17,6 +17,7 @@ class M4(AutotoolsPackage, GNUMirrorPackage):
patch('gnulib-pgi.patch', when='@1.4.18') patch('gnulib-pgi.patch', when='@1.4.18')
patch('pgi.patch', when='@1.4.17') patch('pgi.patch', when='@1.4.17')
patch('nvhpc.patch', when='%nvhpc')
# from: https://github.com/Homebrew/homebrew-core/blob/master/Formula/m4.rb # from: https://github.com/Homebrew/homebrew-core/blob/master/Formula/m4.rb
# Patch credit to Jeremy Huddleston Sequoia <jeremyhu@apple.com> # Patch credit to Jeremy Huddleston Sequoia <jeremyhu@apple.com>
patch('secure_snprintf.patch', when='os = highsierra') patch('secure_snprintf.patch', when='os = highsierra')

8
var/spack/repos/builtin/packages/matio/package.py
View file

@ -47,3 +47,11 @@ def configure_args(self):
if '+shared' not in self.spec: if '+shared' not in self.spec:
args.append("--disable-shared") args.append("--disable-shared")
return args return args
def patch(self):
if self.spec.satisfies('%nvhpc'):
# workaround anonymous version tag linker error for the NVIDIA
# compilers
filter_file('${wl}-version-script '
'${wl}$output_objdir/$libname.ver', '',
'configure', string=True)

6
var/spack/repos/builtin/packages/mfem/package.py
View file

@ -669,6 +669,12 @@ def install(self, spec, prefix):
if install_em: if install_em:
install_tree('data', join_path(prefix_share, 'data')) install_tree('data', join_path(prefix_share, 'data'))
def patch(self):
# Remove the byte order mark since it messes with some compilers
filter_file(u'\uFEFF', '', 'fem/gslib.hpp')
filter_file(u'\uFEFF', '', 'fem/gslib.cpp')
filter_file(u'\uFEFF', '', 'linalg/hiop.hpp')
@property @property
def suitesparse_components(self): def suitesparse_components(self):
"""Return the SuiteSparse components needed by MFEM.""" """Return the SuiteSparse components needed by MFEM."""

8
var/spack/repos/builtin/packages/miniqmc/package.py
View file

@ -23,11 +23,19 @@ class Miniqmc(CMakePackage):
depends_on('mpi') depends_on('mpi')
depends_on('lapack') depends_on('lapack')
# Add missing PGI compiler config
patch('pgi-cmake.patch', when='@:0.4 % nvhpc')
def cmake_args(self): def cmake_args(self):
args = [ args = [
'-DCMAKE_CXX_COMPILER=%s' % self.spec['mpi'].mpicxx, '-DCMAKE_CXX_COMPILER=%s' % self.spec['mpi'].mpicxx,
'-DCMAKE_C_COMPILER=%s' % self.spec['mpi'].mpicc '-DCMAKE_C_COMPILER=%s' % self.spec['mpi'].mpicc
] ]
if self.spec.satisfies('%nvhpc'):
args.append('-DLAPACK_LIBRARIES={0}'.format(
self.spec['lapack'].libs.joined(';')))
return args return args
def install(self, spec, prefix): def install(self, spec, prefix):

43
var/spack/repos/builtin/packages/miniqmc/pgi-cmake.patch Normal file
View file

@ -0,0 +1,43 @@
diff --git a/CMake/PGICompilers.cmake b/CMake/PGICompilers.cmake
new file mode 100644
index 000000000..ec9d976a9
--- /dev/null
+++ b/CMake/PGICompilers.cmake
@@ -0,0 +1,26 @@
+# Enable OpenMP
+# If just -mp is specified, OMP_NUM_THREADS must be set in order to run in parallel
+# Specifying 'allcores' will run on all cores if OMP_NUM_THREADS is not set (which seems
+# to be the default for other OpenMP implementations)
+IF(QMC_OMP)
+ SET(ENABLE_OPENMP 1)
+ SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -mp=allcores")
+ENDIF(QMC_OMP)
+
+ADD_DEFINITIONS( -Drestrict=__restrict__ )
+
+SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -D__forceinline=inline")
+
+# Set extra optimization specific flags
+SET( CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE} -fast" )
+SET( CMAKE_CXX_FLAGS_RELWITHDEBINFO "${CMAKE_CXX_FLAGS_RELWITHDEBINFO} -fast" )
+
+
+# Setting this to 'OFF' adds the -A flag, which enforces strict standard compliance
+# and causes the compilation to fail with some GNU header files
+SET(CMAKE_CXX_EXTENSIONS ON)
+
+# Add static flags if necessary
+IF(QMC_BUILD_STATIC)
+ SET(CMAKE_CXX_LINK_FLAGS " -Bstatic")
+ENDIF(QMC_BUILD_STATIC)
--- a/CMakeLists.txt 2020-09-16 13:15:18.296609121 -0700
+++ b/CMakeLists.txt 2020-09-16 13:15:52.661916219 -0700
@@ -260,6 +260,8 @@
INCLUDE(${PROJECT_CMAKE}/IntelCompilers.cmake)
ELSEIF( ${COMPILER} MATCHES "GNU" )
INCLUDE(${PROJECT_CMAKE}/GNUCompilers.cmake)
+ ELSEIF( ${COMPILER} MATCHES "PGI" )
+ INCLUDE(${PROJECT_CMAKE}/PGICompilers.cmake)
ELSEIF( ${COMPILER} MATCHES "Clang" )
INCLUDE(${PROJECT_CMAKE}/ClangCompilers.cmake)
ELSE()

3
var/spack/repos/builtin/packages/mumps/package.py
View file

@ -111,6 +111,7 @@ def write_makefile_inc(self):
# Determine which compiler suite we are using # Determine which compiler suite we are using
using_gcc = self.compiler.name == "gcc" using_gcc = self.compiler.name == "gcc"
using_pgi = self.compiler.name == "pgi" using_pgi = self.compiler.name == "pgi"
using_nvhpc = self.compiler.name == "nvhpc"
using_intel = self.compiler.name == "intel" using_intel = self.compiler.name == "intel"
using_xl = self.compiler.name in ['xl', 'xl_r'] using_xl = self.compiler.name in ['xl', 'xl_r']
using_fj = self.compiler.name == "fj" using_fj = self.compiler.name == "fj"
@ -179,7 +180,7 @@ def write_makefile_inc(self):
# TODO: change the value to the correct one according to the # TODO: change the value to the correct one according to the
# compiler possible values are -DAdd_, -DAdd__ and/or -DUPPER # compiler possible values are -DAdd_, -DAdd__ and/or -DUPPER
if using_intel or using_pgi or using_fj: if using_intel or using_pgi or using_nvhpc or using_fj:
# Intel, PGI, and Fujitsu Fortran compiler provides # Intel, PGI, and Fujitsu Fortran compiler provides
# the main() function so C examples linked with the Fortran # the main() function so C examples linked with the Fortran
# compiler require a hack defined by _DMAIN_COMP # compiler require a hack defined by _DMAIN_COMP

16
var/spack/repos/builtin/packages/namd/inherited-member-2.14.patch Normal file
View file

@ -0,0 +1,16 @@
--- a/src/colvarproxy_namd.C 2020-10-02 15:11:37.205197956 -0700
+++ b/src/colvarproxy_namd.C 2020-10-02 15:11:47.865071117 -0700
@@ -94,12 +94,11 @@
"the output restart file could be defined, exiting.\n");
}
+ init_tcl_pointers();
#ifdef NAMD_TCL
have_scripts = true;
- init_tcl_pointers();
-
// See is user-scripted forces are defined
if (Tcl_FindCommand(reinterpret_cast<Tcl_Interp *>(tcl_interp_),
"calc_colvar_forces", NULL, 0) == NULL) {

18
var/spack/repos/builtin/packages/namd/inherited-member.patch Normal file
View file

@ -0,0 +1,18 @@
--- a/src/colvarproxy_namd.C 2020-09-04 12:07:22.649591658 -0700
+++ b/src/colvarproxy_namd.C 2020-09-04 12:08:41.724079519 -0700
@@ -479,13 +479,13 @@
// Callback functions
+#ifdef NAMD_TCL
void colvarproxy_namd::init_tcl_pointers()
{
-#ifdef NAMD_TCL
// Store pointer to NAMD's Tcl interpreter
_tcl_interp = reinterpret_cast<void *>(Node::Object()->getScript()->interp);
-#endif
}
+#endif
int colvarproxy_namd::run_force_callback()
{

6
var/spack/repos/builtin/packages/namd/package.py
View file

@ -32,6 +32,12 @@ class Namd(MakefilePackage):
variant('interface', default='none', values=('none', 'tcl', 'python'), variant('interface', default='none', values=('none', 'tcl', 'python'),
description='Enables TCL and/or python interface') description='Enables TCL and/or python interface')
# init_tcl_pointers() declaration and implementation are inconsistent
# "src/colvarproxy_namd.C", line 482: error: inherited member is not
# allowed
patch('inherited-member.patch', when='@:2.13')
patch('inherited-member-2.14.patch', when='@2.14:')
depends_on('charmpp@6.10.1:', when="@2.14:") depends_on('charmpp@6.10.1:', when="@2.14:")
depends_on('charmpp@6.8.2', when="@2.13") depends_on('charmpp@6.8.2', when="@2.13")
depends_on('charmpp@6.7.1', when="@2.12") depends_on('charmpp@6.7.1', when="@2.12")

8
var/spack/repos/builtin/packages/nasm/package.py
View file

@ -26,3 +26,11 @@ class Nasm(AutotoolsPackage):
conflicts('%intel@:14', when='@2.14:', conflicts('%intel@:14', when='@2.14:',
msg="Intel 14 has immature C11 support") msg="Intel 14 has immature C11 support")
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file(r'CFLAGS="\$pa_add_cflags__old_cflags -Werror=.*"',
'CFLAGS="$pa_add_cflags__old_cflags"', 'configure')
filter_file(r'CFLAGS="\$pa_add_flags__old_flags -Werror=.*"',
'CFLAGS="$pa_add_flags__old_flags"', 'configure')

9
var/spack/repos/builtin/packages/numactl/numactl-2.0.14-symver.patch Normal file
View file

@ -0,0 +1,9 @@
--- a/util.h 2020-10-08 10:08:40.517167202 -0700
+++ b/util.h 2020-10-08 10:08:55.523301155 -0700
@@ -22,5 +22,5 @@
#if HAVE_ATTRIBUTE_SYMVER
#define SYMVER(a,b) __attribute__ ((symver (b)))
#else
-#define SYMVER(a,b) __asm__ (".symver " #a "," #b);
+#define SYMVER(a,b) __asm__ (".symver " a "," b " ");
#endif

18
var/spack/repos/builtin/packages/numactl/package.py
View file

@ -12,12 +12,30 @@ class Numactl(AutotoolsPackage):
homepage = "http://oss.sgi.com/projects/libnuma/" homepage = "http://oss.sgi.com/projects/libnuma/"
url = "https://github.com/numactl/numactl/archive/v2.0.11.tar.gz" url = "https://github.com/numactl/numactl/archive/v2.0.11.tar.gz"
version('2.0.14', sha256='1ee27abd07ff6ba140aaf9bc6379b37825e54496e01d6f7343330cf1a4487035')
version('2.0.12', sha256='7c3e819c2bdeb883de68bafe88776a01356f7ef565e75ba866c4b49a087c6bdf') version('2.0.12', sha256='7c3e819c2bdeb883de68bafe88776a01356f7ef565e75ba866c4b49a087c6bdf')
version('2.0.11', sha256='3e099a59b2c527bcdbddd34e1952ca87462d2cef4c93da9b0bc03f02903f7089') version('2.0.11', sha256='3e099a59b2c527bcdbddd34e1952ca87462d2cef4c93da9b0bc03f02903f7089')
patch('numactl-2.0.11-sysmacros.patch', when="@2.0.11") patch('numactl-2.0.11-sysmacros.patch', when="@2.0.11")
# https://github.com/numactl/numactl/issues/94
patch('numactl-2.0.14-symver.patch', when="@2.0.14")
depends_on('autoconf', type='build') depends_on('autoconf', type='build')
depends_on('automake', type='build') depends_on('automake', type='build')
depends_on('libtool', type='build') depends_on('libtool', type='build')
depends_on('m4', type='build') depends_on('m4', type='build')
def patch(self):
# Remove flags not recognized by the NVIDIA compiler
if self.spec.satisfies('%nvhpc'):
filter_file('-ffast-math -funroll-loops', '', 'Makefile.am')
filter_file('-std=gnu99', '-c99', 'Makefile.am')
# Avoid undefined reference errors
if self.spec.satisfies('@2.0.14 %nvhpc'):
filter_file('numa_sched_setaffinity_v1_int',
'numa_sched_setaffinity_v1', 'libnuma.c')
filter_file('numa_sched_setaffinity_v2_int',
'numa_sched_setaffinity_v2', 'libnuma.c')
filter_file('numa_sched_getaffinity_v2_int',
'numa_sched_getaffinity_v2', 'libnuma.c')

75
var/spack/repos/builtin/packages/openmpi/nvhpc-configure.patch Normal file
View file

@ -0,0 +1,75 @@
--- a/configure 2020-08-20 14:10:40.050641106 -0700
+++ b/configure 2020-08-20 14:15:03.473674334 -0700
@@ -38272,7 +38272,7 @@
ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
ac_compiler_gnu=$ac_cv_fc_compiler_gnu
if test -n "$ac_tool_prefix"; then
- for ac_prog in gfortran f95 fort xlf95 ifort ifc efc pgfortran pgf95 lf95 f90 xlf90 pgf90 epcf90 nagfor
+ for ac_prog in gfortran f95 fort xlf95 ifort ifc efc pgfortran nvfortran pgf95 lf95 f90 xlf90 pgf90 epcf90 nagfor
do
# Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
set dummy $ac_tool_prefix$ac_prog; ac_word=$2
@@ -38316,7 +38316,7 @@
fi
if test -z "$FC"; then
ac_ct_FC=$FC
- for ac_prog in gfortran f95 fort xlf95 ifort ifc efc pgfortran pgf95 lf95 f90 xlf90 pgf90 epcf90 nagfor
+ for ac_prog in gfortran f95 fort xlf95 ifort ifc efc pgfortran nvfortran pgf95 lf95 f90 xlf90 pgf90 epcf90 nagfor
do
# Extract the first word of "$ac_prog", so it can be a program name with args.
set dummy $ac_prog; ac_word=$2
@@ -384411,7 +384411,7 @@
lt_prog_compiler_pic='-fPIC'
lt_prog_compiler_static='-static'
;;
- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*)
# Portland Group compilers (*not* the Pentium gcc compiler,
# which looks to be a dead project)
lt_prog_compiler_wl='-Wl,'
@@ -385050,11 +385050,11 @@
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
- pgcc*) # Portland Group C compiler
+ pgcc* | nvc) # Portland Group C compiler
whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
- pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*)
# Portland Group f77 and f90 compilers
whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;
@@ -391724,7 +391724,7 @@
lt_prog_compiler_pic_FC='-fPIC'
lt_prog_compiler_static_FC='-static'
;;
- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*)
# Portland Group compilers (*not* the Pentium gcc compiler,
# which looks to be a dead project)
lt_prog_compiler_wl_FC='-Wl,'
@@ -391766,7 +391766,7 @@
lt_prog_compiler_pic_FC='-fPIC'
lt_prog_compiler_static_FC='-static'
;;
- *Portland\ Group*)
+ *Portland\ Group* | *NVIDIA\ Compilers* | *PGI\ Compilers*)
lt_prog_compiler_wl_FC='-Wl,'
lt_prog_compiler_pic_FC='-fpic'
lt_prog_compiler_static_FC='-Bstatic'
@@ -392348,11 +392348,11 @@
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
- pgcc*) # Portland Group C compiler
+ pgcc* | nvc) # Portland Group C compiler
whole_archive_flag_spec_FC='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
- pgf77* | pgf90* | pgf95* | pgfortran*)
+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*)
# Portland Group f77 and f90 compilers
whole_archive_flag_spec_FC='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;

77
var/spack/repos/builtin/packages/openmpi/nvhpc-libtool.patch Normal file
View file

@ -0,0 +1,77 @@
From b71206582131f88f6602a40e4c67e3d92b119229 Mon Sep 17 00:00:00 2001
From: Tin Huynh <ahuynh@nvidia.com>
Date: Mon, 27 Jul 2020 15:15:47 -0700
Subject: [PATCH] Recognize new Nvidia compilers.
With the upcoming release of HPC-SDK, updating Libtool to recognize Nvidia
compilers (nvc, nvc++, nvfortran).
---
m4/libtool.m4 | 21 ++++++++++-----------
1 file changed, 10 insertions(+), 11 deletions(-)
diff --git a/m4/libtool.m4 b/m4/libtool.m4
index f2d1f39..4eac689 100644
--- a/config/libtool.m4
+++ b/config/libtool.m4
@@ -4402,8 +4402,8 @@ m4_if([$1], [CXX], [
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
- pgCC* | pgcpp*)
- # Portland Group C++ compiler
+ pgCC* | pgcpp* | pgc\+\+* | nvc\+\+*)
+ # NVIDIA HPC C++ compiler
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
@@ -4739,9 +4739,8 @@ m4_if([$1], [CXX], [
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
- # Portland Group compilers (*not* the Pentium gcc compiler,
- # which looks to be a dead project)
+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*)
+ # NVIDIA HPC Compilers
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
@@ -4781,7 +4780,7 @@ m4_if([$1], [CXX], [
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
- *Portland\ Group*)
+ *Portland\ Group* | *NVIDIA\ Compilers* | *PGI\ Compilers*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
@@ -5209,12 +5208,12 @@ _LT_EOF
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
- pgcc*) # Portland Group C compiler
+ pgcc* | nvc) # NVIDIA HPC C++ Compiler
_LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
- pgf77* | pgf90* | pgf95* | pgfortran*)
- # Portland Group f77 and f90 compilers
+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*)
+ # NVIDIA HPC Fortran Compilers
_LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;
ecc*,ia64* | icc*,ia64*) # Intel C compiler on ia64
@@ -7004,8 +7003,8 @@ if test yes != "$_lt_caught_CXX_error"; then
_LT_TAGVAR(export_dynamic_flag_spec, $1)='$wl--export-dynamic'
_LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive$convenience $wl--no-whole-archive'
;;
- pgCC* | pgcpp*)
- # Portland Group C++ compiler
+ pgCC* | pgcpp* | pgc\+\+* | nvc\+\+*)
+ # NVIDIA HPC C++ compiler
case `$CC -V` in
*pgCC\ [[1-5]].* | *pgcpp\ [[1-5]].*)
_LT_TAGVAR(prelink_cmds, $1)='tpldir=Template.dir~
--
2.7.4

7
var/spack/repos/builtin/packages/openmpi/package.py
View file

@ -168,6 +168,9 @@ class Openmpi(AutotoolsPackage):
patch('nag_pthread/2.0.0_2.1.1.patch', when='@2.0.0:2.1.1%nag') patch('nag_pthread/2.0.0_2.1.1.patch', when='@2.0.0:2.1.1%nag')
patch('nag_pthread/1.10.4_1.10.999.patch', when='@1.10.4:1.10.999%nag') patch('nag_pthread/1.10.4_1.10.999.patch', when='@1.10.4:1.10.999%nag')
patch('nvhpc-libtool.patch', when='%nvhpc@develop')
patch('nvhpc-configure.patch', when='%nvhpc')
# Fix MPI_Sizeof() in the "mpi" Fortran module for compilers that do not # Fix MPI_Sizeof() in the "mpi" Fortran module for compilers that do not
# support "IGNORE TKR" functionality (e.g. NAG). # support "IGNORE TKR" functionality (e.g. NAG).
# The issue has been resolved upstream in two steps: # The issue has been resolved upstream in two steps:
@ -618,6 +621,10 @@ def configure_args(self):
else: else:
config_args.append('--without-cuda') config_args.append('--without-cuda')
if spec.satisfies('%nvhpc'):
# Workaround compiler issues
config_args.append('CFLAGS=-O1')
if '+wrapper-rpath' in spec: if '+wrapper-rpath' in spec:
config_args.append('--enable-wrapper-rpath') config_args.append('--enable-wrapper-rpath')

5
var/spack/repos/builtin/packages/openssl/package.py
View file

@ -112,6 +112,11 @@ def install(self, spec, prefix):
'aarch64' in spack.architecture.sys_type(): 'aarch64' in spack.architecture.sys_type():
options.append('no-asm') options.append('no-asm')
# The default glibc provided by CentOS 7 does not provide proper
# atomic support when using the NVIDIA compilers
if self.spec.satisfies('%nvhpc os=centos7'):
options.append('-D__STDC_NO_ATOMICS__')
config = Executable('./config') config = Executable('./config')
config('--prefix=%s' % prefix, config('--prefix=%s' % prefix,
'--openssldir=%s' % join_path(prefix, 'etc', 'openssl'), '--openssldir=%s' % join_path(prefix, 'etc', 'openssl'),

88
var/spack/repos/builtin/packages/perl/nvhpc.patch Normal file
View file

@ -0,0 +1,88 @@
--- a/Configure 2020-10-08 12:20:33.969182412 -0700
+++ b/Configure 2020-10-08 12:20:47.835314546 -0700
@@ -4971,7 +4971,7 @@
# and usrinc directly from the compiler.
# Note that ccname for clang is also gcc.
case "$ccname" in
- gcc)
+ XXX)
$echo 'extern int foo;' > try.c
set X `$cppstdin -v try.c 2>&1 | $awk '/^#include </,/^End of search /'|$cppfilter $grep '/include'`
shift
--- a/cflags.SH 2020-10-08 12:20:58.992420850 -0700
+++ b/cflags.SH 2020-10-08 12:24:29.783426846 -0700
@@ -179,8 +179,6 @@
# -pedantic* before -Werror=d-a-s
#
*) for opt in -std=c89 -ansi $pedantic \
- -Werror=declaration-after-statement \
- -Werror=pointer-arith \
-Wextra -W \
-Wc++-compat -Wwrite-strings
do
@@ -354,9 +352,7 @@
#
# -Werror=d-a-s option is valid for g++, by definition,
# but we remove it just for cleanliness and shorter command lines.
- for f in -Wdeclaration-after-statement \
- -Werror=declaration-after-statement \
- -Wc++-compat \
+ for f in -Wc++-compat \
-std=c89
do
case "$ccflags$warn" in
@@ -370,8 +366,8 @@
;;
esac
-for f in -Wdeclaration-after-statement -Werror=declaration-after-statement \
- -Wpointer-arith -Werror=pointer-arith
+for f in -Wdeclaration-after-statement \
+ -Wpointer-arith
do
case "$cppflags" in
*"$f"*)
--- a/ext/XS-APItest/Makefile.PL 2020-10-08 13:07:33.804290877 -0700
+++ b/ext/XS-APItest/Makefile.PL 2020-10-08 13:09:18.154336339 -0700
@@ -15,7 +15,7 @@
'OBJECT' => '$(BASEEXT)$(OBJ_EXT) XSUB-undef-XS_VERSION$(OBJ_EXT) XSUB-redefined-macros$(OBJ_EXT) $(O_FILES)'. $dtrace_o,
realclean => {FILES => 'const-c.inc const-xs.inc'},
($Config{gccversion} && $Config{d_attribute_deprecated} ?
- (CCFLAGS => $Config{ccflags} . ' -Wno-deprecated-declarations') : ()),
+ (CCFLAGS => $Config{ccflags}) : ()),
depend => { 'core.o' => 'core_or_not.inc',
'notcore.o' => 'core_or_not.inc' },
);
--- a/Makefile.SH 2020-10-08 15:24:40.457848934 -0700
+++ b/Makefile.SH 2020-10-08 15:25:21.289415093 -0700
@@ -1140,8 +1140,8 @@
# $(PERL_EXE) and ext because pod_lib.pl needs Digest::MD5
# But also this ensures that all extensions are built before we try to scan
# them, which picks up Devel::PPPort's documentation.
-pod/perltoc.pod: $(perltoc_pod_prereqs) $(PERL_EXE) $(ext) pod/buildtoc
- $(RUN_PERL) -f pod/buildtoc -q
+pod/perltoc.pod: $(perltoc_pod_prereqs) $(PERL_EXE) $(ext) $(MINIPERL_EXE) pod/buildtoc
+ $(MINIPERL) -f pod/buildtoc -q
pod/perlapi.pod: pod/perlintern.pod
@@ -1198,8 +1198,8 @@
$spitshell >>$Makefile <<EOT
install_$name install-$name: \$(INSTALL_DEPENDENCE) installperl all installman
- \$(RUN_PERL) installperl --destdir=\$(DESTDIR) $flags \$(INSTALLFLAGS) \$(STRIPFLAGS)
- \$(RUN_PERL) installman --destdir=\$(DESTDIR) $flags
+ \$(MINIPERL) installperl --destdir=\$(DESTDIR) $flags \$(INSTALLFLAGS) \$(STRIPFLAGS)
+ \$(MINIPERL) installman --destdir=\$(DESTDIR) $flags
EOT
fi
@@ -1217,7 +1217,7 @@
LOCAL_PERL='$(RUN_PERL)'
$spitshell >>$Makefile <<'!NO!SUBS!'
install.perl: $(INSTALL_DEPENDENCE) installperl
- $(RUN_PERL) installperl --destdir=$(DESTDIR) $(INSTALLFLAGS) $(STRIPFLAGS)
+ $(MINIPERL) installperl --destdir=$(DESTDIR) $(INSTALLFLAGS) $(STRIPFLAGS)
-@test ! -s extras.lst || PATH="`pwd`:\${PATH}" PERL5LIB="`pwd`/lib" \$(RUN_PERL) -Ilib -MCPAN -e '@ARGV&&install(@ARGV)' `cat extras.lst`
!NO!SUBS!

3
var/spack/repos/builtin/packages/perl/package.py
View file

@ -77,6 +77,9 @@ class Perl(Package): # Perl doesn't use Autotools, it should subclass Package
# https://github.com/Perl/perl5/pull/17946 # https://github.com/Perl/perl5/pull/17946
patch('macos-11-version-check.patch', when='@5.24.1:5.32.0 platform=darwin') patch('macos-11-version-check.patch', when='@5.24.1:5.32.0 platform=darwin')
# Enable builds with the NVIDIA compiler
patch('nvhpc.patch', when='%nvhpc')
# Installing cpanm alongside the core makes it safe and simple for # Installing cpanm alongside the core makes it safe and simple for
# people/projects to install their own sets of perl modules. Not # people/projects to install their own sets of perl modules. Not
# having it in core increases the "energy of activation" for doing # having it in core increases the "energy of activation" for doing

2
var/spack/repos/builtin/packages/picsarlite/package.py
View file

@ -70,7 +70,7 @@ def build_targets(self):
def build(self, spec, prefix): def build(self, spec, prefix):
with working_dir('PICSARlite'): with working_dir('PICSARlite'):
make(parallel=False) make(parallel=False, *self.build_targets)
def install(self, spec, prefix): def install(self, spec, prefix):
mkdirp(prefix.docs) mkdirp(prefix.docs)

11
var/spack/repos/builtin/packages/pkgconf/nvhpc.patch Normal file
View file

@ -0,0 +1,11 @@
--- a/Makefile.in 2020-08-06 15:35:59.461116401 -0700
+++ b/Makefile.in 2020-08-06 15:36:13.010162558 -0700
@@ -532,7 +532,7 @@
libpkgconf/personality.c \
libpkgconf/parser.c
-libpkgconf_la_LDFLAGS = -no-undefined -version-info 3:0:0 -export-symbols-regex '^pkgconf_'
+libpkgconf_la_LDFLAGS = -no-undefined -version-info 3:0:0
dist_man_MANS = \
man/pkgconf.1 \
man/pkg.m4.7 \

3
var/spack/repos/builtin/packages/pkgconf/package.py
View file

@ -28,6 +28,9 @@ class Pkgconf(AutotoolsPackage):
provides('pkgconfig') provides('pkgconfig')
# https://github.com/spack/spack/issues/11704
patch('nvhpc.patch', when='@1.7.3%nvhpc')
# TODO: Add a package for the kyua testing framework # TODO: Add a package for the kyua testing framework
# depends_on('kyua', type='test') # depends_on('kyua', type='test')

6
var/spack/repos/builtin/packages/popt/package.py
View file

@ -15,3 +15,9 @@ class Popt(AutotoolsPackage):
version('1.16', sha256='e728ed296fe9f069a0e005003c3d6b2dde3d9cad453422a10d6558616d304cc8') version('1.16', sha256='e728ed296fe9f069a0e005003c3d6b2dde3d9cad453422a10d6558616d304cc8')
depends_on('libiconv') depends_on('libiconv')
def patch(self):
# Remove flags not recognized by the NVIDIA compilers
if self.spec.satisfies('%nvhpc'):
filter_file('CFLAGS="$CFLAGS -Wall -W"',
'CFLAGS="$CFLAGS -Wall"', 'configure', string=True)

2
var/spack/repos/builtin/packages/python/package.py
View file

@ -224,6 +224,8 @@ class Python(AutotoolsPackage):
conflicts('+tix', when='~tkinter', conflicts('+tix', when='~tkinter',
msg='python+tix requires python+tix+tkinter') msg='python+tix requires python+tix+tkinter')
conflicts('%nvhpc')
_DISTUTIL_VARS_TO_SAVE = ['LDSHARED'] _DISTUTIL_VARS_TO_SAVE = ['LDSHARED']
_DISTUTIL_CACHE_FILENAME = 'sysconfig.json' _DISTUTIL_CACHE_FILENAME = 'sysconfig.json'
_distutil_vars = None _distutil_vars = None

4
var/spack/repos/builtin/packages/qd/package.py
View file

@ -21,6 +21,10 @@ class Qd(AutotoolsPackage):
depends_on('libtool', type='build') depends_on('libtool', type='build')
depends_on('m4', type='build') depends_on('m4', type='build')
def setup_build_environment(self, env):
if self.spec.satisfies('%nvhpc'):
env.append_flags('FCFLAGS', "-fPIC")
def configure_args(self): def configure_args(self):
args = ['--enable-shared'] args = ['--enable-shared']
return args return args

106
var/spack/repos/builtin/packages/quantum-espresso/nvhpc.patch Normal file
View file

@ -0,0 +1,106 @@
--- a/install/configure 2020-09-08 07:25:53.088725750 -0700
+++ b/install/configure 2020-09-08 07:35:22.637773050 -0700
@@ -2349,7 +2349,7 @@
ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5'
ac_compiler_gnu=$ac_cv_fc_compiler_gnu
if test -n "$ac_tool_prefix"; then
- for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77
+ for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc nvfortran pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77
do
# Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
set dummy $ac_tool_prefix$ac_prog; ac_word=$2
@@ -2393,7 +2393,7 @@
fi
if test -z "$FC"; then
ac_ct_FC=$FC
- for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77
+ for ac_prog in gfortran g95 xlf95 f95 fort ifort ifc efc nvfortran pgfortran pgf95 lf95 ftn nagfor xlf90 f90 pgf90 pghpf epcf90 g77 xlf f77 frt pgf77 cf77 fort77 fl32 af77
do
# Extract the first word of "$ac_prog", so it can be a program name with args.
set dummy $ac_prog; ac_word=$2
@@ -2810,7 +2810,7 @@
# candidate compilers and flags based on architecture
case $arch in
ia32 | ia64 | x86_64 )
- try_f90="ifort pgf90 nagfor $try_f90"
+ try_f90="ifort nvfortran pgf90 nagfor $try_f90"
;;
arm )
try_f90="$try_f90"
@@ -3125,6 +3125,7 @@
echo $ECHO_N "checking version of $mpif90... $ECHO_C"
ifort_version=`$mpif90 -V 2>&1 | grep "Intel(R)"`
pgf_version=`$mpif90 -V 2>&1 | grep "^pgf"`
+ nvfortran_version=`$mpif90 -V 2>&1 | grep "^nvfortran"`
gfortran_version=`$mpif90 -v 2>&1 | grep "gcc version"`
nagfor_version=`$mpif90 -v 2>&1 | grep "NAG Fortran"`
xlf_version=`$mpif90 -v 2>&1 | grep "xlf"`
@@ -3142,6 +3143,11 @@
f90_in_mpif90="pgf90"
# flag to test MKL with PGI
MKL_FLAGS="-pgf90libs"
+ elif test "$nvfortran_version" != ""
+ then
+ version=`echo $nvfortran_version | cut -d ' ' -f2`
+ echo "${ECHO_T}nvfortran $version"
+ f90_in_mpif90="nvfortran"
elif test "$gfortran_version" != ""
then
version=`echo $gfortran_version | cut -d ' ' -f3`
@@ -3242,6 +3250,8 @@
f90_flavor=ifort
elif $f90 -V 2>&1 | grep -q "^pgf" ; then
f90_flavor=pgf
+ elif $f90 -V 2>&1 | grep -q "^nvfortran" ; then
+ f90_flavor=nvfortran
elif $f90 -v 2>&1 | grep -q "gcc version" ; then
f90_flavor=gfortran
elif $f90 -V 2>&1 | grep -q "Cray Fortran" ; then
@@ -3300,6 +3310,9 @@
*:pgf90 )
try_cc="pgcc $try_cc"
;;
+*:nvfortran )
+ try_cc="nvc $try_cc"
+ ;;
cray*:* )
try_cc="cc"
;;
@@ -4166,6 +4179,19 @@
try_dflags="$try_dflags -D__PGI"
have_cpp=1
;;
+*:nvfortran* )
+ try_fflags_nomain="-Mnomain"
+ try_fflags="-fast"
+ try_fflags_openmp="-mp"
+ try_f90flags="-fast -Mcache_align -Mpreprocess -Mlarge_arrays"
+ try_foxflags="-fast -Mcache_align -Mpreprocess -Mlarge_arrays"
+ try_fflags_noopt="-O0"
+ try_ldflags=""
+ try_ldflags_openmp="-mp"
+ try_ldflags_static="-static"
+ try_dflags="$try_dflags -D__PGI"
+ have_cpp=1
+ ;;
*:*gfortran )
try_fflags="-O3 -g"
if test "$use_debug" -eq 1; then
@@ -5044,7 +5070,7 @@
done
;;
- x86_64:pgf* )
+ x86_64:pgf* | x8_64:nvfortran )
try_libdirs="/opt/acml*/pathscale64/lib/"
try_libdirs="$ld_library_path $libdirs $try_libdirs"
@@ -6245,7 +6271,7 @@
if test "$have_blas" -eq 0
then
case "$f90" in
- pgf* )
+ pgf* | nvfortran )
# check for PGI blas
unset ac_cv_search_dgemm # clear cached value
FFLAGS="$test_fflags"

3
var/spack/repos/builtin/packages/quantum-espresso/package.py
View file

@ -219,6 +219,9 @@ class QuantumEspresso(Package):
sha256='b1aa3179ee1c069964fb9c21f3b832aebeae54947ce8d3cc1a74e7b154c3c10f', sha256='b1aa3179ee1c069964fb9c21f3b832aebeae54947ce8d3cc1a74e7b154c3c10f',
when='+patch@6.4.1:6.5.0') when='+patch@6.4.1:6.5.0')
# Configure updated to work with NVIDIA compilers
patch('nvhpc.patch', when='@6.5 %nvhpc')
# Spurious problems running in parallel the Makefile # Spurious problems running in parallel the Makefile
# generated by the configure # generated by the configure
parallel = False parallel = False

7
var/spack/repos/builtin/packages/relion/package.py
View file

@ -48,7 +48,7 @@ class Relion(CMakePackage, CudaPackage):
depends_on('libtiff') depends_on('libtiff')
depends_on('cuda', when='+cuda') depends_on('cuda', when='+cuda')
depends_on('cuda@9:10.99', when='@3: +cuda') depends_on('cuda@9:', when='@3: +cuda')
def cmake_args(self): def cmake_args(self):
@ -76,3 +76,8 @@ def cmake_args(self):
args += ['-DMKLFFT=ON', '-DFORCE_OWN_TBB=ON', '-DALTCPU=ON'] args += ['-DMKLFFT=ON', '-DFORCE_OWN_TBB=ON', '-DALTCPU=ON']
return args return args
def patch(self):
# Remove flags not recognized by the NVIDIA compilers
if self.spec.satisfies('%nvhpc'):
filter_file('-std=c99', '-c99', 'src/apps/CMakeLists.txt')

2
var/spack/repos/builtin/packages/rsync/package.py
View file

@ -23,5 +23,7 @@ class Rsync(AutotoolsPackage):
depends_on('zstd', when='@3.2:') depends_on('zstd', when='@3.2:')
depends_on('lz4', when='@3.2:') depends_on('lz4', when='@3.2:')
conflicts('%nvhpc')
def configure_args(self): def configure_args(self):
return ['--with-included-zlib=no'] return ['--with-included-zlib=no']

1
var/spack/repos/builtin/packages/suite-sparse/package.py
View file

@ -49,6 +49,7 @@ class SuiteSparse(Package):
# This patch removes unsupported flags for pgi compiler # This patch removes unsupported flags for pgi compiler
patch('pgi.patch', when='%pgi') patch('pgi.patch', when='%pgi')
patch('pgi.patch', when='%nvhpc')
# This patch adds '-lm' when linking libgraphblas and when using clang. # This patch adds '-lm' when linking libgraphblas and when using clang.
# Fixes 'libgraphblas.so.2.0.1: undefined reference to `__fpclassify'' # Fixes 'libgraphblas.so.2.0.1: undefined reference to `__fpclassify''

4
var/spack/repos/builtin/packages/swfft/package.py
View file

@ -36,6 +36,10 @@ def build_targets(self):
targets.append('DFFT_MPI_CXX=%s' % spec['mpi'].mpicxx) targets.append('DFFT_MPI_CXX=%s' % spec['mpi'].mpicxx)
targets.append('DFFT_MPI_F90=%s' % spec['mpi'].mpifc) targets.append('DFFT_MPI_F90=%s' % spec['mpi'].mpifc)
if self.spec.satisfies('%nvhpc'):
# remove -Wno-deprecated -std=gnu99
targets.append('DFFT_MPI_CFLAGS=-g -O3 -Wall')
return targets return targets
def install(self, spec, prefix): def install(self, spec, prefix):

34
var/spack/repos/builtin/packages/tar/nvhpc.patch Normal file
View file

@ -0,0 +1,34 @@
--- a/gnu/xalloc-oversized.h 2020-08-21 06:38:16.472440800 -0700
+++ b/gnu/xalloc-oversized.h 2020-08-21 06:39:22.717691266 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/gnu/intprops.h 2020-08-21 06:37:03.301158640 -0700
+++ b/gnu/intprops.h 2020-08-21 06:38:01.807384249 -0700
@@ -219,14 +219,14 @@
: (max) >> (b) < (a))
/* True if __builtin_add_overflow (A, B, P) works when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_OVERFLOW 1
#else
# define _GL_HAS_BUILTIN_OVERFLOW 0
#endif
/* True if __builtin_add_overflow_p (A, B, C) works. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands

1
var/spack/repos/builtin/packages/tar/package.py
View file

@ -30,6 +30,7 @@ class Tar(AutotoolsPackage, GNUMirrorPackage):
patch('se-selinux.patch', when='@:1.29') patch('se-selinux.patch', when='@:1.29')
patch('argp-pgi.patch', when='@:1.29') patch('argp-pgi.patch', when='@:1.29')
patch('gnutar-configure-xattrs.patch', when='@1.28') patch('gnutar-configure-xattrs.patch', when='@1.28')
patch('nvhpc.patch', when='%nvhpc')
@classmethod @classmethod
def determine_version(cls, exe): def determine_version(cls, exe):

34
var/spack/repos/builtin/packages/texinfo/nvhpc.patch Normal file
View file

@ -0,0 +1,34 @@
--- a/gnulib/lib/xalloc-oversized.h 2020-08-21 06:38:16.472440800 -0700
+++ b/gnulib/lib/xalloc-oversized.h 2020-08-21 06:39:22.717691266 -0700
@@ -41,10 +41,10 @@
positive and N must be nonnegative. This is a macro, not a
function, so that it works correctly even when SIZE_MAX < N. */
-#if 7 <= __GNUC__
+#if 7 <= __GNUC__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
__builtin_mul_overflow_p (n, s, (__xalloc_count_type) 1)
-#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__
+#elif 5 <= __GNUC__ && !defined __ICC && !__STRICT_ANSI__ && !defined __NVCOMPILER
# define xalloc_oversized(n, s) \
(__builtin_constant_p (n) && __builtin_constant_p (s) \
? __xalloc_oversized (n, s) \
--- a/gnulib/lib/intprops.h 2020-08-21 06:37:03.301158640 -0700
+++ b/gnulib/lib/intprops.h 2020-08-21 06:38:01.807384249 -0700
@@ -219,14 +219,14 @@
: (max) >> (b) < (a))
/* True if __builtin_add_overflow (A, B, P) works when P is non-null. */
-#if 5 <= __GNUC__ && !defined __ICC
+#if 5 <= __GNUC__ && !defined __ICC && !defined __NVCOMPILER
# define _GL_HAS_BUILTIN_OVERFLOW 1
#else
# define _GL_HAS_BUILTIN_OVERFLOW 0
#endif
/* True if __builtin_add_overflow_p (A, B, C) works. */
-#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__)
+#define _GL_HAS_BUILTIN_OVERFLOW_P (7 <= __GNUC__ && !defined __NVCOMPILER)
/* The _GL*_OVERFLOW macros have the same restrictions as the
*_RANGE_OVERFLOW macros, except that they do not assume that operands

2
var/spack/repos/builtin/packages/texinfo/package.py
View file

@ -40,6 +40,8 @@ class Texinfo(AutotoolsPackage, GNUMirrorPackage):
# Ref: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=902771 # Ref: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=902771
patch('update_locale_handling.patch', when='@6.3:') patch('update_locale_handling.patch', when='@6.3:')
patch('nvhpc.patch', when='%nvhpc')
@classmethod @classmethod
def determine_version(cls, exe): def determine_version(cls, exe):
output = Executable(exe)('--version', output=str, error=str) output = Executable(exe)('--version', output=str, error=str)

21
var/spack/repos/builtin/packages/vasp/package.py
View file

@ -16,8 +16,9 @@ class Vasp(MakefilePackage):
""" """
homepage = "http://vasp.at" homepage = "http://vasp.at"
url = "file://{0}/vasp.5.4.4.tar.gz".format(os.getcwd()) url = "file://{0}/vasp.5.4.4.pl2.tgz".format(os.getcwd())
version('5.4.4.pl2', sha256='98f75fd75399a23d76d060a6155f4416b340a1704f256a00146f89024035bc8e')
version('5.4.4', sha256='5bd2449462386f01e575f9adf629c08cb03a13142806ffb6a71309ca4431cfb3') version('5.4.4', sha256='5bd2449462386f01e575f9adf629c08cb03a13142806ffb6a71309ca4431cfb3')
resource(name='vaspsol', resource(name='vaspsol',
@ -42,6 +43,7 @@ class Vasp(MakefilePackage):
depends_on('mpi', type=('build', 'link', 'run')) depends_on('mpi', type=('build', 'link', 'run'))
depends_on('netlib-scalapack', when='+scalapack') depends_on('netlib-scalapack', when='+scalapack')
depends_on('cuda', when='+cuda') depends_on('cuda', when='+cuda')
depends_on('qd', when='%nvhpc')
conflicts('%gcc@:8', msg='GFortran before 9.x does not support all features needed to build VASP') conflicts('%gcc@:8', msg='GFortran before 9.x does not support all features needed to build VASP')
conflicts('+vaspsol', when='+cuda', msg='+vaspsol only available for CPU') conflicts('+vaspsol', when='+cuda', msg='+vaspsol only available for CPU')
@ -52,6 +54,16 @@ def edit(self, spec, prefix):
if '%gcc' in spec: if '%gcc' in spec:
make_include = join_path('arch', 'makefile.include.linux_gnu') make_include = join_path('arch', 'makefile.include.linux_gnu')
elif '%nvhpc' in spec:
make_include = join_path('arch', 'makefile.include.linux_pgi')
filter_file('pgcc', spack_cc, make_include)
filter_file('pgc++', spack_cxx, make_include, string=True)
filter_file('pgfortran', spack_fc, make_include)
filter_file('/opt/pgi/qd-2.3.17/install/include',
spec['qd'].prefix.include, make_include)
filter_file('/opt/pgi/qd-2.3.17/install/lib',
spec['qd'].prefix.lib, make_include)
filter_file('^SCALAPACK[ ]{0,}=.*$', 'SCALAPACK ?=', make_include)
else: else:
make_include = join_path('arch', make_include = join_path('arch',
'makefile.include.linux_' + 'makefile.include.linux_' +
@ -92,10 +104,15 @@ def edit(self, spec, prefix):
def setup_build_environment(self, spack_env): def setup_build_environment(self, spack_env):
spec = self.spec spec = self.spec
cpp_options = ['-DHOST=\\"LinuxGNU\\"', '-DMPI -DMPI_BLOCK=8000', cpp_options = ['-DMPI -DMPI_BLOCK=8000',
'-Duse_collective', '-DCACHE_SIZE=4000', '-Duse_collective', '-DCACHE_SIZE=4000',
'-Davoidalloc', '-Duse_bse_te', '-Davoidalloc', '-Duse_bse_te',
'-Dtbdyn', '-Duse_shmem'] '-Dtbdyn', '-Duse_shmem']
if '%nvhpc' in self.spec:
cpp_options.extend(['-DHOST=\\"LinuxPGI\\"', '-DPGI16',
'-Dqd_emulate'])
else:
cpp_options.append('-DHOST=\\"LinuxGNU\\"')
cflags = ['-fPIC', '-DADD_'] cflags = ['-fPIC', '-DADD_']

5
var/spack/repos/builtin/packages/xsbench/package.py
View file

@ -39,8 +39,11 @@ def build_directory(self):
def build_targets(self): def build_targets(self):
targets = [] targets = []
cflags = ''
if not self.spec.satisfies('%nvhpc'):
cflags = '-std=gnu99'
cflags = '-std=gnu99'
if '+mpi' in self.spec: if '+mpi' in self.spec:
targets.append('CC={0}'.format(self.spec['mpi'].mpicc)) targets.append('CC={0}'.format(self.spec['mpi'].mpicc))
else: else:

13
var/spack/repos/builtin/packages/xxhash/package.py
View file

@ -27,6 +27,19 @@ class Xxhash(MakefilePackage):
version('0.5.1', sha256='0171af39eefa06be1e616bc43b250d13bba417e4741135ec85c1fe8dc391997d') version('0.5.1', sha256='0171af39eefa06be1e616bc43b250d13bba417e4741135ec85c1fe8dc391997d')
version('0.5.0', sha256='9605cd18d40d798eb1262bc0c2a154e1a3c138a6a9a0c4c792e855d0c08c23e1') version('0.5.0', sha256='9605cd18d40d798eb1262bc0c2a154e1a3c138a6a9a0c4c792e855d0c08c23e1')
@property
def build_targets(self):
targets = []
if '%nvhpc' in self.spec:
targets.append('CFLAGS=-O1')
if 'avx512' in self.spec.target:
# Workaround AVX512 compiler issue
targets.append('CPPFLAGS=-DXXH_VECTOR=XXH_AVX2')
return targets
def edit(self, spec, prefix): def edit(self, spec, prefix):
makefile = FileFilter("Makefile") makefile = FileFilter("Makefile")
makefile.filter('/usr/local', prefix) makefile.filter('/usr/local', prefix)

23
var/spack/repos/builtin/packages/zstd/package.py
View file

@ -36,3 +36,26 @@ def build(self, spec, prefix):
def install(self, spec, prefix): def install(self, spec, prefix):
make('install', 'PREFIX={0}'.format(prefix)) make('install', 'PREFIX={0}'.format(prefix))
def patch(self):
# Remove flags not understood by the NVIDIA compilers
if self.spec.satisfies('%nvhpc'):
filter_file('-fvisibility=hidden', '', 'lib/Makefile')
filter_file('-Wc++-compat', '', 'lib/Makefile', string=True)
filter_file('-Wcast-align', '', 'lib/Makefile')
filter_file('-Wcast-qual', '', 'lib/Makefile')
filter_file('-Wdeclaration-after-statement', '', 'lib/Makefile')
filter_file('-Wextra', '', 'lib/Makefile')
filter_file('-Wfloat-equal', '', 'lib/Makefile')
filter_file('-Wformat=2', '', 'lib/Makefile')
filter_file('-Winit-self', '', 'lib/Makefile')
filter_file('-Wmissing-prototypes', '', 'lib/Makefile')
filter_file('-Wpointer-arith', '', 'lib/Makefile')
filter_file('-Wredundant-decls', '', 'lib/Makefile')
filter_file('-Wshadow', '', 'lib/Makefile')
filter_file('-Wstrict-aliasing=1', '', 'lib/Makefile')
filter_file('-Wstrict-prototypes', '', 'lib/Makefile')
filter_file('-Wswitch-enum', '', 'lib/Makefile')
filter_file('-Wundef', '', 'lib/Makefile')
filter_file('-Wvla', '', 'lib/Makefile')
filter_file('-Wwrite-strings', '', 'lib/Makefile')