diff options
Diffstat (limited to 'var')
85 files changed, 1824 insertions, 18 deletions
diff --git a/var/spack/repos/builtin/packages/amber/aarch64.patch b/var/spack/repos/builtin/packages/amber/aarch64.patch new file mode 100644 index 0000000000..f73e3ce761 --- /dev/null +++ b/var/spack/repos/builtin/packages/amber/aarch64.patch @@ -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 ;; diff --git a/var/spack/repos/builtin/packages/amber/nvhpc-boost.patch b/var/spack/repos/builtin/packages/amber/nvhpc-boost.patch new file mode 100644 index 0000000000..abc375774e --- /dev/null +++ b/var/spack/repos/builtin/packages/amber/nvhpc-boost.patch @@ -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$(--python-lib[2]) ; + ## Portland Group Pgi 6.2 +-toolset pgi pgcc : "-o " : -D ++toolset pgi nvc : "-o " : -D + : + [ opt --release : -s -O3 ] + [ opt --debug : -g ] +--- a/ambertools_tmpdir/AmberTools/src/boost/libs/filesystem/src/operations.cpp 2020-09-30 15:07:31.998097202 -0700 ++++ b/ambertools_tmpdir/AmberTools/src/boost/libs/filesystem/src/operations.cpp 2020-09-30 15:07:37.117892885 -0700 +@@ -2087,10 +2087,6 @@ + return ok; + } + +-#if defined(__PGI) && defined(__USE_FILE_OFFSET64) +-#define dirent dirent64 +-#endif +- + error_code dir_itr_first(void *& handle, void *& buffer, + const char* dir, string& target, + fs::file_status &, fs::file_status &) + diff --git a/var/spack/repos/builtin/packages/amber/nvhpc.patch b/var/spack/repos/builtin/packages/amber/nvhpc.patch new file mode 100644 index 0000000000..a612b3c84a --- /dev/null +++ b/var/spack/repos/builtin/packages/amber/nvhpc.patch @@ -0,0 +1,20 @@ +--- a/ambertools_tmpdir/AmberTools/src/configure2 2020-09-10 07:37:44.380726161 -0700 ++++ b/ambertools_tmpdir/AmberTools/src/configure2 2020-09-10 07:38:22.052936370 -0700 +@@ -3190,7 +3190,7 @@ + cd fftw-3.3 && \ + ./configure --disable-doc --prefix=$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=$? diff --git a/var/spack/repos/builtin/packages/amber/package.py b/var/spack/repos/builtin/packages/amber/package.py index 9b772e0a6a..797d708fbc 100644 --- a/var/spack/repos/builtin/packages/amber/package.py +++ b/var/spack/repos/builtin/packages/amber/package.py @@ -91,6 +91,19 @@ class Amber(Package, CudaPackage): patch(patch_url_str.format(ver, num), 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', default=True) variant('openmp', description='Use OpenMP pragmas to parallelize', @@ -101,6 +114,7 @@ class Amber(Package, CudaPackage): default=False) depends_on('zlib') + depends_on('bzip2') depends_on('flex', type='build') depends_on('bison', type='build') depends_on('netcdf-fortran') @@ -125,6 +139,12 @@ class Amber(Package, CudaPackage): def setup_build_environment(self, env): amber_src = self.stage.source_path 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 if self.spec.satisfies('+cuda'): env.set('CUDA_HOME', self.spec['cuda'].prefix) @@ -146,6 +166,8 @@ class Amber(Package, CudaPackage): compiler = 'intel' elif self.spec.satisfies('%pgi'): compiler = 'pgi' + elif self.spec.satisfies('%nvhpc'): + compiler = 'pgi' elif self.spec.satisfies('%clang'): compiler = 'clang' else: @@ -166,6 +188,10 @@ class Amber(Package, CudaPackage): else: base_args += ['--no-updates'] + # Non-x86 architecture + if self.spec.target.family != 'x86_64': + base_args += ['-nosse'] + # Single core conf(*(base_args + [compiler])) make('install') diff --git a/var/spack/repos/builtin/packages/amber/ppc64le.patch b/var/spack/repos/builtin/packages/amber/ppc64le.patch new file mode 100644 index 0000000000..85f3ae0a52 --- /dev/null +++ b/var/spack/repos/builtin/packages/amber/ppc64le.patch @@ -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 ;; diff --git a/var/spack/repos/builtin/packages/berkeley-db/package.py b/var/spack/repos/builtin/packages/berkeley-db/package.py index 52c4206d25..e72d823cb5 100644 --- a/var/spack/repos/builtin/packages/berkeley-db/package.py +++ b/var/spack/repos/builtin/packages/berkeley-db/package.py @@ -29,7 +29,7 @@ class BerkeleyDb(AutotoolsPackage): filter_file(r'gsg_db_server', '', 'dist/Makefile.in') def configure_args(self): - return [ + config_args = [ '--disable-static', '--enable-cxx', '--enable-dbm', @@ -40,3 +40,10 @@ class BerkeleyDb(AutotoolsPackage): # depends on Berkey DB, creating a circular dependency '--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 diff --git a/var/spack/repos/builtin/packages/bison/nvhpc.patch b/var/spack/repos/builtin/packages/bison/nvhpc.patch new file mode 100644 index 0000000000..88cd8f641e --- /dev/null +++ b/var/spack/repos/builtin/packages/bison/nvhpc.patch @@ -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 diff --git a/var/spack/repos/builtin/packages/bison/package.py b/var/spack/repos/builtin/packages/bison/package.py index 7164b33870..8b4ebfa8bd 100644 --- a/var/spack/repos/builtin/packages/bison/package.py +++ b/var/spack/repos/builtin/packages/bison/package.py @@ -46,6 +46,7 @@ class Bison(AutotoolsPackage, GNUMirrorPackage): depends_on('help2man', type='build') patch('pgi.patch', when='@3.0.4') + patch('nvhpc.patch', when='%nvhpc') conflicts('%intel@:14', when='@3.4.2:', msg="Intel 14 has immature C11 support") diff --git a/var/spack/repos/builtin/packages/boost/nvhpc.patch b/var/spack/repos/builtin/packages/boost/nvhpc.patch new file mode 100644 index 0000000000..f660f5cf53 --- /dev/null +++ b/var/spack/repos/builtin/packages/boost/nvhpc.patch @@ -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) ; + diff --git a/var/spack/repos/builtin/packages/boost/package.py b/var/spack/repos/builtin/packages/boost/package.py index a9fd437b51..12831c5fd5 100644 --- a/var/spack/repos/builtin/packages/boost/package.py +++ b/var/spack/repos/builtin/packages/boost/package.py @@ -208,6 +208,9 @@ class Boost(Package): 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 to override the PGI toolset when using the NVIDIA compilers + patch('nvhpc.patch', when='%nvhpc') + # Fix for version comparison on newer Clang on darwin # See: https://github.com/boostorg/build/issues/440 # See: https://github.com/macports/macports-ports/pull/6726 @@ -252,6 +255,19 @@ class Boost(Package): # See https://github.com/boostorg/build/pull/154 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): if version >= Version('1.63.0'): url = "https://dl.bintray.com/boostorg/release/{0}/source/boost_{1}.tar.bz2" @@ -268,6 +284,7 @@ class Boost(Package): 'xlc++': 'xlcpp', 'xlc++_r': 'xlcpp', 'pgc++': 'pgi', + 'nvc++': 'pgi', 'FCC': 'clang'} if spec.satisfies('@1.47:'): diff --git a/var/spack/repos/builtin/packages/bzip2/package.py b/var/spack/repos/builtin/packages/bzip2/package.py index 901326258b..d3700a8a40 100644 --- a/var/spack/repos/builtin/packages/bzip2/package.py +++ b/var/spack/repos/builtin/packages/bzip2/package.py @@ -52,9 +52,10 @@ class Bzip2(Package, SourcewarePackage): ) # 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-libbz2_so') # noqa + filter_file('-Wall -Winline', '-Minform=inform', + 'Makefile-libbz2_so') # Patch the link line to use RPATHs on macOS if 'darwin' in self.spec.architecture: diff --git a/var/spack/repos/builtin/packages/charmpp/nvhpc.patch b/var/spack/repos/builtin/packages/charmpp/nvhpc.patch new file mode 100644 index 0000000000..7528f3af4d --- /dev/null +++ b/var/spack/repos/builtin/packages/charmpp/nvhpc.patch @@ -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 */ diff --git a/var/spack/repos/builtin/packages/charmpp/package.py b/var/spack/repos/builtin/packages/charmpp/package.py index 3afeb6cadb..9fbc8573ba 100644 --- a/var/spack/repos/builtin/packages/charmpp/package.py +++ b/var/spack/repos/builtin/packages/charmpp/package.py @@ -44,6 +44,9 @@ class Charmpp(Package): # support Fujitsu compiler patch("fj.patch", when="%fj") + # support NVIDIA compilers + patch("nvhpc.patch", when="%nvhpc") + # Ignore compiler warnings while configuring patch("strictpass.patch", when="@:6.8.2") diff --git a/var/spack/repos/builtin/packages/cmake/package.py b/var/spack/repos/builtin/packages/cmake/package.py index 8af536abbf..3951a70384 100644 --- a/var/spack/repos/builtin/packages/cmake/package.py +++ b/var/spack/repos/builtin/packages/cmake/package.py @@ -118,6 +118,8 @@ class Cmake(Package): 'please use %apple-clang. ' 'See: https://gitlab.kitware.com/cmake/cmake/-/issues/21135') + conflicts('%nvhpc') + # 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 # 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. 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 # https://gitlab.kitware.com/cmake/cmake/issues/18166 diff --git a/var/spack/repos/builtin/packages/cmake/pgi-cxx-ansi.patch b/var/spack/repos/builtin/packages/cmake/pgi-cxx-ansi.patch new file mode 100644 index 0000000000..953ea23e57 --- /dev/null +++ b/var/spack/repos/builtin/packages/cmake/pgi-cxx-ansi.patch @@ -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 + diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index 486221957a..9b0e3b69d7 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -203,6 +203,7 @@ class Cp2k(MakefilePackage, CudaPackage): ], 'intel': ['-O2', '-pc64', '-unroll', ], 'pgi': ['-fast'], + 'nvhpc': ['-fast'], 'cray': ['-O2'], 'xl': ['-O3'], } @@ -241,7 +242,7 @@ class Cp2k(MakefilePackage, CudaPackage): '-ffree-line-length-none', '-ggdb', # make sure we get proper Fortran backtraces ] - elif '%pgi' in spec: + elif '%pgi' in spec or '%nvhpc' in spec: fcflags += ['-Mfreeform', '-Mextend'] elif '%cray' in spec: fcflags += ['-emf', '-ffree', '-hflex_mp=strict'] diff --git a/var/spack/repos/builtin/packages/diffutils/nvhpc.patch b/var/spack/repos/builtin/packages/diffutils/nvhpc.patch new file mode 100644 index 0000000000..4246571733 --- /dev/null +++ b/var/spack/repos/builtin/packages/diffutils/nvhpc.patch @@ -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 + diff --git a/var/spack/repos/builtin/packages/diffutils/package.py b/var/spack/repos/builtin/packages/diffutils/package.py index 41c1101416..b598410ba8 100644 --- a/var/spack/repos/builtin/packages/diffutils/package.py +++ b/var/spack/repos/builtin/packages/diffutils/package.py @@ -22,6 +22,8 @@ class Diffutils(AutotoolsPackage, GNUMirrorPackage): build_directory = 'spack-build' + patch('nvhpc.patch', when='@3.7 %nvhpc') + depends_on('iconv') def setup_build_environment(self, env): diff --git a/var/spack/repos/builtin/packages/ember/package.py b/var/spack/repos/builtin/packages/ember/package.py index d80ac91efd..3d866fdc11 100644 --- a/var/spack/repos/builtin/packages/ember/package.py +++ b/var/spack/repos/builtin/packages/ember/package.py @@ -60,7 +60,9 @@ class Ember(MakefilePackage): def build_targets(self): targets = [] 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_c_flags = '-O3 -g' diff --git a/var/spack/repos/builtin/packages/ffmpeg/package.py b/var/spack/repos/builtin/packages/ffmpeg/package.py index 75185fc566..38b3c05ea5 100644 --- a/var/spack/repos/builtin/packages/ffmpeg/package.py +++ b/var/spack/repos/builtin/packages/ffmpeg/package.py @@ -103,6 +103,7 @@ class Ffmpeg(AutotoolsPackage): conflicts('+libwebp', when='@2.1.999:') conflicts('+libssh', when='@2.0.999:') conflicts('+libzmq', when='@:1.999.999') + conflicts('%nvhpc') @property def libs(self): diff --git a/var/spack/repos/builtin/packages/fftw/package.py b/var/spack/repos/builtin/packages/fftw/package.py index c9544add21..05df011d74 100644 --- a/var/spack/repos/builtin/packages/fftw/package.py +++ b/var/spack/repos/builtin/packages/fftw/package.py @@ -141,6 +141,20 @@ class Fftw(AutotoolsPackage): # float only 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 = [] for feature in simd_features: msg = '--enable-{0}' if feature in spec.target else '--disable-{0}' @@ -149,10 +163,12 @@ class Fftw(AutotoolsPackage): # If no features are found, enable the generic ones if not any(f in spec.target for f in simd_features + float_simd_features): - simd_options += [ - '--enable-generic-simd128', - '--enable-generic-simd256' - ] + # Workaround NVIDIA compiler bug + if not spec.satisfies('%nvhpc'): + simd_options += [ + '--enable-generic-simd128', + '--enable-generic-simd256' + ] simd_options += [ '--enable-fma' if 'fma' in spec.target else '--disable-fma' diff --git a/var/spack/repos/builtin/packages/findutils/nvhpc.patch b/var/spack/repos/builtin/packages/findutils/nvhpc.patch new file mode 100644 index 0000000000..08cdf206aa --- /dev/null +++ b/var/spack/repos/builtin/packages/findutils/nvhpc.patch @@ -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) \ diff --git a/var/spack/repos/builtin/packages/findutils/package.py b/var/spack/repos/builtin/packages/findutils/package.py index 56a60c85b8..33b41c53eb 100644 --- a/var/spack/repos/builtin/packages/findutils/package.py +++ b/var/spack/repos/builtin/packages/findutils/package.py @@ -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-makedev.patch', sha256='bd9e4e5cc280f9753ae14956c4e4aa17fe7a210f55dd6c84aa60b12d106d47a2', when='@4.6.0') + patch('nvhpc.patch', when='%nvhpc') + build_directory = 'spack-build' @classmethod diff --git a/var/spack/repos/builtin/packages/fltk/package.py b/var/spack/repos/builtin/packages/fltk/package.py index c1971899bf..90f458bbd4 100644 --- a/var/spack/repos/builtin/packages/fltk/package.py +++ b/var/spack/repos/builtin/packages/fltk/package.py @@ -51,3 +51,15 @@ class Fltk(Package): configure(*options) make() 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) diff --git a/var/spack/repos/builtin/packages/gettext/nvhpc-builtin.patch b/var/spack/repos/builtin/packages/gettext/nvhpc-builtin.patch new file mode 100644 index 0000000000..8edb2fc5d4 --- /dev/null +++ b/var/spack/repos/builtin/packages/gettext/nvhpc-builtin.patch @@ -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 diff --git a/var/spack/repos/builtin/packages/gettext/nvhpc-export-symbols.patch b/var/spack/repos/builtin/packages/gettext/nvhpc-export-symbols.patch new file mode 100644 index 0000000000..2a26037e31 --- /dev/null +++ b/var/spack/repos/builtin/packages/gettext/nvhpc-export-symbols.patch @@ -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. diff --git a/var/spack/repos/builtin/packages/gettext/nvhpc-long-width.patch b/var/spack/repos/builtin/packages/gettext/nvhpc-long-width.patch new file mode 100644 index 0000000000..ca4c8e58b7 --- /dev/null +++ b/var/spack/repos/builtin/packages/gettext/nvhpc-long-width.patch @@ -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) diff --git a/var/spack/repos/builtin/packages/gettext/package.py b/var/spack/repos/builtin/packages/gettext/package.py index b0916096ea..84db1bd9be 100644 --- a/var/spack/repos/builtin/packages/gettext/package.py +++ b/var/spack/repos/builtin/packages/gettext/package.py @@ -47,6 +47,9 @@ class Gettext(AutotoolsPackage, GNUMirrorPackage): # depends_on('cvs') 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): spec = self.spec diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index de72eb336c..bd6649aca1 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -75,6 +75,8 @@ class Gromacs(CMakePackage): description='GMX_RELAXED_DOUBLE_PRECISION for Fujitsu PRIMEHPC') variant('hwloc', default=True, description='Use the hwloc portable hardware locality library') + variant('lapack', default=False, + description='Enables an external LAPACK library') depends_on('mpi', when='+mpi') # 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='%fj') depends_on('cuda', when='+cuda') + depends_on('lapack', when='+lapack') # TODO: openmpi constraint; remove when concretizer is fixed depends_on('hwloc@:1.999', when='+hwloc') @@ -106,6 +109,10 @@ class Gromacs(CMakePackage): if '+plumed' in self.spec: 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): options = [] @@ -142,6 +149,14 @@ class Gromacs(CMakePackage): if '+opencl' in self.spec: 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 target = self.spec.target if target >= llnl.util.cpu.targets['zen2']: @@ -158,7 +173,10 @@ class Gromacs(CMakePackage): options.append('-DGMX_SIMD=IBM_VSX') elif target.family == llnl.util.cpu.targets['aarch64']: # 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']: # Intel KNL options.append('-DGMX_SIMD=AVX_512_KNL') @@ -172,6 +190,12 @@ class Gromacs(CMakePackage): ('avx2', 'AVX2_256'), ('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): if feature in target: options.append('-DGMX_SIMD:STRING={0}'.format(flag)) diff --git a/var/spack/repos/builtin/packages/json-cwx/package.py b/var/spack/repos/builtin/packages/json-cwx/package.py index d0d25816eb..50b10cb4d0 100644 --- a/var/spack/repos/builtin/packages/json-cwx/package.py +++ b/var/spack/repos/builtin/packages/json-cwx/package.py @@ -27,3 +27,10 @@ class JsonCwx(AutotoolsPackage): with working_dir('json-cwx'): autogen = Executable("./autogen.sh") 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') diff --git a/var/spack/repos/builtin/packages/libbsd/nvhpc.patch b/var/spack/repos/builtin/packages/libbsd/nvhpc.patch new file mode 100644 index 0000000000..fd380fd29a --- /dev/null +++ b/var/spack/repos/builtin/packages/libbsd/nvhpc.patch @@ -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> diff --git a/var/spack/repos/builtin/packages/libbsd/package.py b/var/spack/repos/builtin/packages/libbsd/package.py index 8ea91f4d5a..3df5860347 100644 --- a/var/spack/repos/builtin/packages/libbsd/package.py +++ b/var/spack/repos/builtin/packages/libbsd/package.py @@ -27,6 +27,17 @@ class Libbsd(AutotoolsPackage): patch('cdefs.h.patch', when='@0.8.6 %gcc@:4') patch('local-elf.h.patch', when='%intel') + patch('nvhpc.patch', when='%nvhpc') # https://gitlab.freedesktop.org/libbsd/libbsd/issues/1 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') diff --git a/var/spack/repos/builtin/packages/libint/package.py b/var/spack/repos/builtin/packages/libint/package.py index 38cd2f677c..f7248f61ab 100644 --- a/var/spack/repos/builtin/packages/libint/package.py +++ b/var/spack/repos/builtin/packages/libint/package.py @@ -195,3 +195,10 @@ class Libint(AutotoolsPackage): configure(*options) make() 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) diff --git a/var/spack/repos/builtin/packages/libpciaccess/nvhpc.patch b/var/spack/repos/builtin/packages/libpciaccess/nvhpc.patch new file mode 100644 index 0000000000..522a7edf62 --- /dev/null +++ b/var/spack/repos/builtin/packages/libpciaccess/nvhpc.patch @@ -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 diff --git a/var/spack/repos/builtin/packages/libpciaccess/package.py b/var/spack/repos/builtin/packages/libpciaccess/package.py index b79e5e9ee7..c82dedf55e 100644 --- a/var/spack/repos/builtin/packages/libpciaccess/package.py +++ b/var/spack/repos/builtin/packages/libpciaccess/package.py @@ -20,6 +20,8 @@ class Libpciaccess(AutotoolsPackage, XorgPackage): depends_on('pkgconfig', type='build') depends_on('util-macros', type='build') + patch('nvhpc.patch', when='%nvhpc') + # A known issue exists when building with PGI as documented here: # https://bugs.freedesktop.org/show_bug.cgi?id=94398 # 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 # libpciaccess built by gcc should be usable by PGI builds. 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 diff --git a/var/spack/repos/builtin/packages/libtiff/package.py b/var/spack/repos/builtin/packages/libtiff/package.py index 7148d0c425..f650ef31f9 100644 --- a/var/spack/repos/builtin/packages/libtiff/package.py +++ b/var/spack/repos/builtin/packages/libtiff/package.py @@ -23,3 +23,9 @@ class Libtiff(AutotoolsPackage): depends_on('jpeg') depends_on('zlib') 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') diff --git a/var/spack/repos/builtin/packages/libtool/package.py b/var/spack/repos/builtin/packages/libtool/package.py index 876817edd2..783123e27e 100644 --- a/var/spack/repos/builtin/packages/libtool/package.py +++ b/var/spack/repos/builtin/packages/libtool/package.py @@ -51,6 +51,12 @@ class Libtool(AutotoolsPackage, GNUMirrorPackage): def _make_executable(self, 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): env.append_path('ACLOCAL_PATH', self.prefix.share.aclocal) diff --git a/var/spack/repos/builtin/packages/libx11/package.py b/var/spack/repos/builtin/packages/libx11/package.py index 924b3c1dbb..fa41e10d74 100644 --- a/var/spack/repos/builtin/packages/libx11/package.py +++ b/var/spack/repos/builtin/packages/libx11/package.py @@ -27,6 +27,15 @@ class Libx11(AutotoolsPackage, XorgPackage): depends_on('util-macros', 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): env.prepend_path('XLOCALEDIR', self.prefix.share.X11.locale) diff --git a/var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch b/var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch new file mode 100644 index 0000000000..47e8f2213b --- /dev/null +++ b/var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch @@ -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' ;; diff --git a/var/spack/repos/builtin/packages/libxc/nvhpc-libtool.patch b/var/spack/repos/builtin/packages/libxc/nvhpc-libtool.patch new file mode 100644 index 0000000000..18d6b0e1fe --- /dev/null +++ b/var/spack/repos/builtin/packages/libxc/nvhpc-libtool.patch @@ -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 + diff --git a/var/spack/repos/builtin/packages/libxc/package.py b/var/spack/repos/builtin/packages/libxc/package.py index 61597ebaa0..178b6cbcde 100644 --- a/var/spack/repos/builtin/packages/libxc/package.py +++ b/var/spack/repos/builtin/packages/libxc/package.py @@ -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('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 def libs(self): """Libxc can be queried for the following parameters: diff --git a/var/spack/repos/builtin/packages/libxcb/package.py b/var/spack/repos/builtin/packages/libxcb/package.py index 4116b6a059..a384b13acb 100644 --- a/var/spack/repos/builtin/packages/libxcb/package.py +++ b/var/spack/repos/builtin/packages/libxcb/package.py @@ -39,6 +39,15 @@ class Libxcb(AutotoolsPackage): depends_on('pkgconfig', 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): filter_file( 'typedef struct xcb_auth_info_t {', diff --git a/var/spack/repos/builtin/packages/libxml2/nvhpc-configure.patch b/var/spack/repos/builtin/packages/libxml2/nvhpc-configure.patch new file mode 100644 index 0000000000..d2f04c8c73 --- /dev/null +++ b/var/spack/repos/builtin/packages/libxml2/nvhpc-configure.patch @@ -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' ;; diff --git a/var/spack/repos/builtin/packages/libxml2/nvhpc-elfgcchack.patch b/var/spack/repos/builtin/packages/libxml2/nvhpc-elfgcchack.patch new file mode 100644 index 0000000000..8780611094 --- /dev/null +++ b/var/spack/repos/builtin/packages/libxml2/nvhpc-elfgcchack.patch @@ -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) diff --git a/var/spack/repos/builtin/packages/libxml2/package.py b/var/spack/repos/builtin/packages/libxml2/package.py index 22add8c7a3..2602378f89 100644 --- a/var/spack/repos/builtin/packages/libxml2/package.py +++ b/var/spack/repos/builtin/packages/libxml2/package.py @@ -39,6 +39,9 @@ class Libxml2(AutotoolsPackage): resource(name='xmlts', url='https://www.w3.org/XML/Test/xmlts20080827.tar.gz', sha256='96151685cec997e1f9f3387e3626d61e6284d4d6e66e0e440c209286c03e9cc7') + patch('nvhpc-configure.patch', when='%nvhpc') + patch('nvhpc-elfgcchack.patch', when='%nvhpc') + @property def headers(self): include_dir = self.spec.prefix.include.libxml2 @@ -62,6 +65,17 @@ class Libxml2(AutotoolsPackage): 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') @on_package_attributes(run_tests=True) def import_module_test(self): diff --git a/var/spack/repos/builtin/packages/lz4/package.py b/var/spack/repos/builtin/packages/lz4/package.py index 86b5d112bc..181117e0e2 100644 --- a/var/spack/repos/builtin/packages/lz4/package.py +++ b/var/spack/repos/builtin/packages/lz4/package.py @@ -34,14 +34,27 @@ class Lz4(MakefilePackage): return "{0}/r{1}.tar.gz".format(url, version.joined) 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": - make('MOREFLAGS=-lrt') # fixes make error on CentOS6 + make('MOREFLAGS=-lrt', parallel=par) # fixes make error on CentOS6 else: - make() + make(parallel=par) def install(self, spec, 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') def darwin_fix(self): if sys.platform == 'darwin': diff --git a/var/spack/repos/builtin/packages/m4/nvhpc.patch b/var/spack/repos/builtin/packages/m4/nvhpc.patch new file mode 100644 index 0000000000..2fc74f4818 --- /dev/null +++ b/var/spack/repos/builtin/packages/m4/nvhpc.patch @@ -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 diff --git a/var/spack/repos/builtin/packages/m4/package.py b/var/spack/repos/builtin/packages/m4/package.py index a08db18627..992329682a 100644 --- a/var/spack/repos/builtin/packages/m4/package.py +++ b/var/spack/repos/builtin/packages/m4/package.py @@ -17,6 +17,7 @@ class M4(AutotoolsPackage, GNUMirrorPackage): patch('gnulib-pgi.patch', when='@1.4.18') patch('pgi.patch', when='@1.4.17') + patch('nvhpc.patch', when='%nvhpc') # from: https://github.com/Homebrew/homebrew-core/blob/master/Formula/m4.rb # Patch credit to Jeremy Huddleston Sequoia <jeremyhu@apple.com> patch('secure_snprintf.patch', when='os = highsierra') diff --git a/var/spack/repos/builtin/packages/matio/package.py b/var/spack/repos/builtin/packages/matio/package.py index 08eb23771d..5107058d58 100644 --- a/var/spack/repos/builtin/packages/matio/package.py +++ b/var/spack/repos/builtin/packages/matio/package.py @@ -47,3 +47,11 @@ class Matio(AutotoolsPackage): if '+shared' not in self.spec: args.append("--disable-shared") 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) diff --git a/var/spack/repos/builtin/packages/mfem/package.py b/var/spack/repos/builtin/packages/mfem/package.py index 28287c48ee..c03da6b6e7 100644 --- a/var/spack/repos/builtin/packages/mfem/package.py +++ b/var/spack/repos/builtin/packages/mfem/package.py @@ -669,6 +669,12 @@ class Mfem(Package): if install_em: 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 def suitesparse_components(self): """Return the SuiteSparse components needed by MFEM.""" diff --git a/var/spack/repos/builtin/packages/miniqmc/package.py b/var/spack/repos/builtin/packages/miniqmc/package.py index 06382c75fc..4ac543c4dd 100644 --- a/var/spack/repos/builtin/packages/miniqmc/package.py +++ b/var/spack/repos/builtin/packages/miniqmc/package.py @@ -23,11 +23,19 @@ class Miniqmc(CMakePackage): depends_on('mpi') depends_on('lapack') + # Add missing PGI compiler config + patch('pgi-cmake.patch', when='@:0.4 % nvhpc') + def cmake_args(self): args = [ '-DCMAKE_CXX_COMPILER=%s' % self.spec['mpi'].mpicxx, '-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 def install(self, spec, prefix): diff --git a/var/spack/repos/builtin/packages/miniqmc/pgi-cmake.patch b/var/spack/repos/builtin/packages/miniqmc/pgi-cmake.patch new file mode 100644 index 0000000000..e29bdc850d --- /dev/null +++ b/var/spack/repos/builtin/packages/miniqmc/pgi-cmake.patch @@ -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() diff --git a/var/spack/repos/builtin/packages/mumps/package.py b/var/spack/repos/builtin/packages/mumps/package.py index 6ba965b8f5..c4ea250235 100644 --- a/var/spack/repos/builtin/packages/mumps/package.py +++ b/var/spack/repos/builtin/packages/mumps/package.py @@ -111,6 +111,7 @@ class Mumps(Package): # Determine which compiler suite we are using using_gcc = self.compiler.name == "gcc" using_pgi = self.compiler.name == "pgi" + using_nvhpc = self.compiler.name == "nvhpc" using_intel = self.compiler.name == "intel" using_xl = self.compiler.name in ['xl', 'xl_r'] using_fj = self.compiler.name == "fj" @@ -179,7 +180,7 @@ class Mumps(Package): # TODO: change the value to the correct one according to the # 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 # the main() function so C examples linked with the Fortran # compiler require a hack defined by _DMAIN_COMP diff --git a/var/spack/repos/builtin/packages/namd/inherited-member-2.14.patch b/var/spack/repos/builtin/packages/namd/inherited-member-2.14.patch new file mode 100644 index 0000000000..9538daafd7 --- /dev/null +++ b/var/spack/repos/builtin/packages/namd/inherited-member-2.14.patch @@ -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) { diff --git a/var/spack/repos/builtin/packages/namd/inherited-member.patch b/var/spack/repos/builtin/packages/namd/inherited-member.patch new file mode 100644 index 0000000000..88d45d61e7 --- /dev/null +++ b/var/spack/repos/builtin/packages/namd/inherited-member.patch @@ -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() + { diff --git a/var/spack/repos/builtin/packages/namd/package.py b/var/spack/repos/builtin/packages/namd/package.py index 0b2c6c02a2..f7cccc2b59 100644 --- a/var/spack/repos/builtin/packages/namd/package.py +++ b/var/spack/repos/builtin/packages/namd/package.py @@ -32,6 +32,12 @@ class Namd(MakefilePackage): variant('interface', default='none', values=('none', 'tcl', 'python'), 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@6.8.2', when="@2.13") depends_on('charmpp@6.7.1', when="@2.12") diff --git a/var/spack/repos/builtin/packages/nasm/package.py b/var/spack/repos/builtin/packages/nasm/package.py index 87f7f573ef..ee0da70daf 100644 --- a/var/spack/repos/builtin/packages/nasm/package.py +++ b/var/spack/repos/builtin/packages/nasm/package.py @@ -26,3 +26,11 @@ class Nasm(AutotoolsPackage): conflicts('%intel@:14', when='@2.14:', 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') diff --git a/var/spack/repos/builtin/packages/numactl/numactl-2.0.14-symver.patch b/var/spack/repos/builtin/packages/numactl/numactl-2.0.14-symver.patch new file mode 100644 index 0000000000..40edfe7185 --- /dev/null +++ b/var/spack/repos/builtin/packages/numactl/numactl-2.0.14-symver.patch @@ -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 diff --git a/var/spack/repos/builtin/packages/numactl/package.py b/var/spack/repos/builtin/packages/numactl/package.py index fabf18127a..8fbfbdfeea 100644 --- a/var/spack/repos/builtin/packages/numactl/package.py +++ b/var/spack/repos/builtin/packages/numactl/package.py @@ -12,12 +12,30 @@ class Numactl(AutotoolsPackage): homepage = "http://oss.sgi.com/projects/libnuma/" 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('2.0.11', sha256='3e099a59b2c527bcdbddd34e1952ca87462d2cef4c93da9b0bc03f02903f7089') 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('automake', type='build') depends_on('libtool', 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') diff --git a/var/spack/repos/builtin/packages/openmpi/nvhpc-configure.patch b/var/spack/repos/builtin/packages/openmpi/nvhpc-configure.patch new file mode 100644 index 0000000000..2430238f77 --- /dev/null +++ b/var/spack/repos/builtin/packages/openmpi/nvhpc-configure.patch @@ -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' ;; diff --git a/var/spack/repos/builtin/packages/openmpi/nvhpc-libtool.patch b/var/spack/repos/builtin/packages/openmpi/nvhpc-libtool.patch new file mode 100644 index 0000000000..86f2d8b784 --- /dev/null +++ b/var/spack/repos/builtin/packages/openmpi/nvhpc-libtool.patch @@ -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 + diff --git a/var/spack/repos/builtin/packages/openmpi/package.py b/var/spack/repos/builtin/packages/openmpi/package.py index 7653690c42..22532ac721 100644 --- a/var/spack/repos/builtin/packages/openmpi/package.py +++ b/var/spack/repos/builtin/packages/openmpi/package.py @@ -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/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 # support "IGNORE TKR" functionality (e.g. NAG). # The issue has been resolved upstream in two steps: @@ -618,6 +621,10 @@ class Openmpi(AutotoolsPackage): else: config_args.append('--without-cuda') + if spec.satisfies('%nvhpc'): + # Workaround compiler issues + config_args.append('CFLAGS=-O1') + if '+wrapper-rpath' in spec: config_args.append('--enable-wrapper-rpath') diff --git a/var/spack/repos/builtin/packages/openssl/package.py b/var/spack/repos/builtin/packages/openssl/package.py index 0b3632727f..7dd5fc7cf9 100644 --- a/var/spack/repos/builtin/packages/openssl/package.py +++ b/var/spack/repos/builtin/packages/openssl/package.py @@ -112,6 +112,11 @@ class Openssl(Package): # Uses Fake Autotools, should subclass Package 'aarch64' in spack.architecture.sys_type(): 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('--prefix=%s' % prefix, '--openssldir=%s' % join_path(prefix, 'etc', 'openssl'), diff --git a/var/spack/repos/builtin/packages/perl/nvhpc.patch b/var/spack/repos/builtin/packages/perl/nvhpc.patch new file mode 100644 index 0000000000..5f3373bd1b --- /dev/null +++ b/var/spack/repos/builtin/packages/perl/nvhpc.patch @@ -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! diff --git a/var/spack/repos/builtin/packages/perl/package.py b/var/spack/repos/builtin/packages/perl/package.py index 27eba5d8c7..e04b9c5af0 100644 --- a/var/spack/repos/builtin/packages/perl/package.py +++ b/var/spack/repos/builtin/packages/perl/package.py @@ -77,6 +77,9 @@ class Perl(Package): # Perl doesn't use Autotools, it should subclass Package # https://github.com/Perl/perl5/pull/17946 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 # people/projects to install their own sets of perl modules. Not # having it in core increases the "energy of activation" for doing diff --git a/var/spack/repos/builtin/packages/picsarlite/package.py b/var/spack/repos/builtin/packages/picsarlite/package.py index 5c752e9345..a688bb6c30 100644 --- a/var/spack/repos/builtin/packages/picsarlite/package.py +++ b/var/spack/repos/builtin/packages/picsarlite/package.py @@ -70,7 +70,7 @@ class Picsarlite(MakefilePackage): def build(self, spec, prefix): with working_dir('PICSARlite'): - make(parallel=False) + make(parallel=False, *self.build_targets) def install(self, spec, prefix): mkdirp(prefix.docs) diff --git a/var/spack/repos/builtin/packages/pkgconf/nvhpc.patch b/var/spack/repos/builtin/packages/pkgconf/nvhpc.patch new file mode 100644 index 0000000000..5310f6f6ed --- /dev/null +++ b/var/spack/repos/builtin/packages/pkgconf/nvhpc.patch @@ -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 \ diff --git a/var/spack/repos/builtin/packages/pkgconf/package.py b/var/spack/repos/builtin/packages/pkgconf/package.py index e5aa5540e5..87978eef11 100644 --- a/var/spack/repos/builtin/packages/pkgconf/package.py +++ b/var/spack/repos/builtin/packages/pkgconf/package.py @@ -28,6 +28,9 @@ class Pkgconf(AutotoolsPackage): 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 # depends_on('kyua', type='test') diff --git a/var/spack/repos/builtin/packages/popt/package.py b/var/spack/repos/builtin/packages/popt/package.py index 4391a55bda..4256f4385f 100644 --- a/var/spack/repos/builtin/packages/popt/package.py +++ b/var/spack/repos/builtin/packages/popt/package.py @@ -15,3 +15,9 @@ class Popt(AutotoolsPackage): version('1.16', sha256='e728ed296fe9f069a0e005003c3d6b2dde3d9cad453422a10d6558616d304cc8') 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="$CFLAGS -Wall"', 'configure', string=True) diff --git a/var/spack/repos/builtin/packages/python/package.py b/var/spack/repos/builtin/packages/python/package.py index e8e2f3c0de..e90e9c6002 100644 --- a/var/spack/repos/builtin/packages/python/package.py +++ b/var/spack/repos/builtin/packages/python/package.py @@ -224,6 +224,8 @@ class Python(AutotoolsPackage): conflicts('+tix', when='~tkinter', msg='python+tix requires python+tix+tkinter') + conflicts('%nvhpc') + _DISTUTIL_VARS_TO_SAVE = ['LDSHARED'] _DISTUTIL_CACHE_FILENAME = 'sysconfig.json' _distutil_vars = None diff --git a/var/spack/repos/builtin/packages/qd/package.py b/var/spack/repos/builtin/packages/qd/package.py index 22ad858d1e..100fa9cc63 100644 --- a/var/spack/repos/builtin/packages/qd/package.py +++ b/var/spack/repos/builtin/packages/qd/package.py @@ -21,6 +21,10 @@ class Qd(AutotoolsPackage): depends_on('libtool', type='build') depends_on('m4', type='build') + def setup_build_environment(self, env): + if self.spec.satisfies('%nvhpc'): + env.append_flags('FCFLAGS', "-fPIC") + def configure_args(self): args = ['--enable-shared'] return args diff --git a/var/spack/repos/builtin/packages/quantum-espresso/nvhpc.patch b/var/spack/repos/builtin/packages/quantum-espresso/nvhpc.patch new file mode 100644 index 0000000000..9b5714e60e --- /dev/null +++ b/var/spack/repos/builtin/packages/quantum-espresso/nvhpc.patch @@ -0,0 +1,106 @@ +--- a/install/configure 2020-09-08 07:25:53.088725750 -0700 ++++ b/install/configure 2020-09-08 07:35:22.637773050 -0700 +@@ -2349,7 +2349,7 @@ + ac_link='$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" diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index 67c5a43f12..d3fdbc2bb3 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -219,6 +219,9 @@ class QuantumEspresso(Package): sha256='b1aa3179ee1c069964fb9c21f3b832aebeae54947ce8d3cc1a74e7b154c3c10f', 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 # generated by the configure parallel = False diff --git a/var/spack/repos/builtin/packages/relion/package.py b/var/spack/repos/builtin/packages/relion/package.py index c1966af792..73244fcb65 100644 --- a/var/spack/repos/builtin/packages/relion/package.py +++ b/var/spack/repos/builtin/packages/relion/package.py @@ -48,7 +48,7 @@ class Relion(CMakePackage, CudaPackage): depends_on('libtiff') 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): @@ -76,3 +76,8 @@ class Relion(CMakePackage, CudaPackage): args += ['-DMKLFFT=ON', '-DFORCE_OWN_TBB=ON', '-DALTCPU=ON'] 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') diff --git a/var/spack/repos/builtin/packages/rsync/package.py b/var/spack/repos/builtin/packages/rsync/package.py index 2e361f7f6c..d9a59ed7bd 100644 --- a/var/spack/repos/builtin/packages/rsync/package.py +++ b/var/spack/repos/builtin/packages/rsync/package.py @@ -23,5 +23,7 @@ class Rsync(AutotoolsPackage): depends_on('zstd', when='@3.2:') depends_on('lz4', when='@3.2:') + conflicts('%nvhpc') + def configure_args(self): return ['--with-included-zlib=no'] diff --git a/var/spack/repos/builtin/packages/suite-sparse/package.py b/var/spack/repos/builtin/packages/suite-sparse/package.py index 703fbcf670..04eae1f717 100644 --- a/var/spack/repos/builtin/packages/suite-sparse/package.py +++ b/var/spack/repos/builtin/packages/suite-sparse/package.py @@ -49,6 +49,7 @@ class SuiteSparse(Package): # This patch removes unsupported flags for pgi compiler patch('pgi.patch', when='%pgi') + patch('pgi.patch', when='%nvhpc') # This patch adds '-lm' when linking libgraphblas and when using clang. # Fixes 'libgraphblas.so.2.0.1: undefined reference to `__fpclassify'' diff --git a/var/spack/repos/builtin/packages/swfft/package.py b/var/spack/repos/builtin/packages/swfft/package.py index 3d4766f77b..ada58c5f19 100644 --- a/var/spack/repos/builtin/packages/swfft/package.py +++ b/var/spack/repos/builtin/packages/swfft/package.py @@ -36,6 +36,10 @@ class Swfft(MakefilePackage): targets.append('DFFT_MPI_CXX=%s' % spec['mpi'].mpicxx) 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 def install(self, spec, prefix): diff --git a/var/spack/repos/builtin/packages/tar/nvhpc.patch b/var/spack/repos/builtin/packages/tar/nvhpc.patch new file mode 100644 index 0000000000..ecd56b72e1 --- /dev/null +++ b/var/spack/repos/builtin/packages/tar/nvhpc.patch @@ -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 diff --git a/var/spack/repos/builtin/packages/tar/package.py b/var/spack/repos/builtin/packages/tar/package.py index d7358cc350..156476ccd4 100644 --- a/var/spack/repos/builtin/packages/tar/package.py +++ b/var/spack/repos/builtin/packages/tar/package.py @@ -30,6 +30,7 @@ class Tar(AutotoolsPackage, GNUMirrorPackage): patch('se-selinux.patch', when='@:1.29') patch('argp-pgi.patch', when='@:1.29') patch('gnutar-configure-xattrs.patch', when='@1.28') + patch('nvhpc.patch', when='%nvhpc') @classmethod def determine_version(cls, exe): diff --git a/var/spack/repos/builtin/packages/texinfo/nvhpc.patch b/var/spack/repos/builtin/packages/texinfo/nvhpc.patch new file mode 100644 index 0000000000..fb666f647e --- /dev/null +++ b/var/spack/repos/builtin/packages/texinfo/nvhpc.patch @@ -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 diff --git a/var/spack/repos/builtin/packages/texinfo/package.py b/var/spack/repos/builtin/packages/texinfo/package.py index 596996df27..b33a07eb46 100644 --- a/var/spack/repos/builtin/packages/texinfo/package.py +++ b/var/spack/repos/builtin/packages/texinfo/package.py @@ -40,6 +40,8 @@ class Texinfo(AutotoolsPackage, GNUMirrorPackage): # Ref: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=902771 patch('update_locale_handling.patch', when='@6.3:') + patch('nvhpc.patch', when='%nvhpc') + @classmethod def determine_version(cls, exe): output = Executable(exe)('--version', output=str, error=str) diff --git a/var/spack/repos/builtin/packages/vasp/package.py b/var/spack/repos/builtin/packages/vasp/package.py index 22b17ee88b..68bf03bf99 100644 --- a/var/spack/repos/builtin/packages/vasp/package.py +++ b/var/spack/repos/builtin/packages/vasp/package.py @@ -16,8 +16,9 @@ class Vasp(MakefilePackage): """ 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') resource(name='vaspsol', @@ -42,6 +43,7 @@ class Vasp(MakefilePackage): depends_on('mpi', type=('build', 'link', 'run')) depends_on('netlib-scalapack', when='+scalapack') 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('+vaspsol', when='+cuda', msg='+vaspsol only available for CPU') @@ -52,6 +54,16 @@ class Vasp(MakefilePackage): if '%gcc' in spec: 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: make_include = join_path('arch', 'makefile.include.linux_' + @@ -92,10 +104,15 @@ class Vasp(MakefilePackage): def setup_build_environment(self, spack_env): spec = self.spec - cpp_options = ['-DHOST=\\"LinuxGNU\\"', '-DMPI -DMPI_BLOCK=8000', + cpp_options = ['-DMPI -DMPI_BLOCK=8000', '-Duse_collective', '-DCACHE_SIZE=4000', '-Davoidalloc', '-Duse_bse_te', '-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_'] diff --git a/var/spack/repos/builtin/packages/xsbench/package.py b/var/spack/repos/builtin/packages/xsbench/package.py index b6040714d4..3b2215553d 100644 --- a/var/spack/repos/builtin/packages/xsbench/package.py +++ b/var/spack/repos/builtin/packages/xsbench/package.py @@ -39,8 +39,11 @@ class Xsbench(MakefilePackage): def build_targets(self): targets = [] + cflags = '' + + if not self.spec.satisfies('%nvhpc'): + cflags = '-std=gnu99' - cflags = '-std=gnu99' if '+mpi' in self.spec: targets.append('CC={0}'.format(self.spec['mpi'].mpicc)) else: diff --git a/var/spack/repos/builtin/packages/xxhash/package.py b/var/spack/repos/builtin/packages/xxhash/package.py index 84bcd8966d..3ef3a16f24 100644 --- a/var/spack/repos/builtin/packages/xxhash/package.py +++ b/var/spack/repos/builtin/packages/xxhash/package.py @@ -27,6 +27,19 @@ class Xxhash(MakefilePackage): version('0.5.1', sha256='0171af39eefa06be1e616bc43b250d13bba417e4741135ec85c1fe8dc391997d') 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): makefile = FileFilter("Makefile") makefile.filter('/usr/local', prefix) diff --git a/var/spack/repos/builtin/packages/zstd/package.py b/var/spack/repos/builtin/packages/zstd/package.py index 05ad165142..9589a6ff78 100644 --- a/var/spack/repos/builtin/packages/zstd/package.py +++ b/var/spack/repos/builtin/packages/zstd/package.py @@ -36,3 +36,26 @@ class Zstd(MakefilePackage): def install(self, spec, 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') |