diff options
| author | Massimiliano Culpo <massimiliano.culpo@gmail.com> | 2024-11-14 09:17:41 +0100 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2024-11-14 09:17:41 +0100 |
| commit | c0196cde398babcb4d412ac03dc80f946646c921 (patch) | |
| tree | d6ec6bda8ed1da1c39d578d54384da6886e99f7e /var | |
| parent | d091172d67f94ee8e7b99c0d3b95dacb0d200e03 (diff) | |
| download | spack-c0196cde398babcb4d412ac03dc80f946646c921.tar.gz spack-c0196cde398babcb4d412ac03dc80f946646c921.tar.bz2 spack-c0196cde398babcb4d412ac03dc80f946646c921.tar.xz spack-c0196cde398babcb4d412ac03dc80f946646c921.zip | |
Remove support for PGI compilers (#47195)
Diffstat (limited to 'var')
75 files changed, 37 insertions, 2220 deletions
diff --git a/var/spack/repos/builtin/packages/adios2/package.py b/var/spack/repos/builtin/packages/adios2/package.py index 76ca3b0c9f..dabe5554a3 100644 --- a/var/spack/repos/builtin/packages/adios2/package.py +++ b/var/spack/repos/builtin/packages/adios2/package.py @@ -113,7 +113,6 @@ class Adios2(CMakePackage, CudaPackage, ROCmPackage): # Requires mature C++11 implementations conflicts("%gcc@:4.7") conflicts("%intel@:15") - conflicts("%pgi@:14") # ifx does not support submodules in separate files conflicts("%oneapi@:2022.1.0", when="+fortran") diff --git a/var/spack/repos/builtin/packages/allpaths-lg/package.py b/var/spack/repos/builtin/packages/allpaths-lg/package.py index 2a325cd3b7..337ea8b7ac 100644 --- a/var/spack/repos/builtin/packages/allpaths-lg/package.py +++ b/var/spack/repos/builtin/packages/allpaths-lg/package.py @@ -24,6 +24,5 @@ class AllpathsLg(AutotoolsPackage): conflicts("%clang") conflicts("%intel") conflicts("%nag") - conflicts("%pgi") conflicts("%xl") conflicts("%xl_r") diff --git a/var/spack/repos/builtin/packages/amber/package.py b/var/spack/repos/builtin/packages/amber/package.py index f72ce9bc4d..1eb8ca557d 100644 --- a/var/spack/repos/builtin/packages/amber/package.py +++ b/var/spack/repos/builtin/packages/amber/package.py @@ -148,7 +148,6 @@ class Amber(Package, CudaPackage): conflicts( "+openmp", when="%apple-clang", msg="OpenMP not available for the Apple clang compiler" ) - conflicts("+openmp", when="%pgi", msg="OpenMP not available for the pgi compiler") def url_for_version(self, version): url = "file://{0}/Amber{1}.tar.bz2".format(os.getcwd(), version) @@ -182,8 +181,6 @@ class Amber(Package, CudaPackage): compiler = "gnu" elif self.spec.satisfies("%intel"): compiler = "intel" - elif self.spec.satisfies("%pgi"): - compiler = "pgi" elif self.spec.satisfies("%nvhpc"): compiler = "pgi" elif self.spec.satisfies("%clang"): diff --git a/var/spack/repos/builtin/packages/amrvis/package.py b/var/spack/repos/builtin/packages/amrvis/package.py index e05668483d..8ca075cda5 100644 --- a/var/spack/repos/builtin/packages/amrvis/package.py +++ b/var/spack/repos/builtin/packages/amrvis/package.py @@ -57,7 +57,7 @@ class Amrvis(MakefilePackage): # Only doing gcc and clang at the moment. # Intel currently fails searching for mpiicc, mpiicpc, etc. - for comp in ["%intel", "%cce", "%nag", "%pgi", "%xl", "%xl_r"]: + for comp in ["%intel", "%cce", "%nag", "%xl", "%xl_r"]: conflicts(comp, msg="Amrvis currently only builds with gcc and clang") # Need to clone AMReX into Amrvis because Amrvis uses AMReX's source diff --git a/var/spack/repos/builtin/packages/babelstream/package.py b/var/spack/repos/builtin/packages/babelstream/package.py index b09fcc5f6e..d4d94d078e 100644 --- a/var/spack/repos/builtin/packages/babelstream/package.py +++ b/var/spack/repos/builtin/packages/babelstream/package.py @@ -390,31 +390,28 @@ register_flag_optional(TARGET_PROCESSOR Refer to `nvc++ --help` for the full list" "") """ - if self.spec.satisfies("+acc~kokkos~raja"): - if (self.spec.compiler.name == "nvhpc") or (self.spec.compiler.name == "pgi"): - target_device = "gpu" if "cuda_arch" in self.spec.variants else "multicore" - if "cuda_arch" in self.spec.variants: - cuda_arch_list = self.spec.variants["cuda_arch"].value - # the architecture value is only number so append cc_ to the name - cuda_arch = "cc" + cuda_arch_list[0] - # args.append( - # "-DCXX_EXTRA_FLAGS=" + "-target=" + target_device + "-gpu=" + cuda_arch - # ) - args.append("-DCUDA_ARCH=" + cuda_arch) - else: - # get the cpu architecture value from user - target_processor = str( - self.spec.target - ) # self.spec.variants["cpu_arch"].value[0] - args.append("-DTARGET_PROCESSOR=" + target_processor) - # args.append( - # "-DCXX_EXTRA_FLAGS=" - # + "-target=" - # + target_device - # + "-tp=" - # + target_processor - # ) - args.append("-DTARGET_DEVICE=" + target_device) + if self.spec.satisfies("+acc~kokkos~raja %nvhpc"): + target_device = "gpu" if "cuda_arch" in self.spec.variants else "multicore" + if "cuda_arch" in self.spec.variants: + cuda_arch_list = self.spec.variants["cuda_arch"].value + # the architecture value is only number so append cc_ to the name + cuda_arch = "cc" + cuda_arch_list[0] + # args.append( + # "-DCXX_EXTRA_FLAGS=" + "-target=" + target_device + "-gpu=" + cuda_arch + # ) + args.append("-DCUDA_ARCH=" + cuda_arch) + else: + # get the cpu architecture value from user + target_processor = str(self.spec.target) # self.spec.variants["cpu_arch"].value[0] + args.append("-DTARGET_PROCESSOR=" + target_processor) + # args.append( + # "-DCXX_EXTRA_FLAGS=" + # + "-target=" + # + target_device + # + "-tp=" + # + target_processor + # ) + args.append("-DTARGET_DEVICE=" + target_device) # =================================== # STDdata,STDindices,STDranges # =================================== diff --git a/var/spack/repos/builtin/packages/bison/package.py b/var/spack/repos/builtin/packages/bison/package.py index 7226ae8be4..5ca28a2a2b 100644 --- a/var/spack/repos/builtin/packages/bison/package.py +++ b/var/spack/repos/builtin/packages/bison/package.py @@ -64,7 +64,6 @@ class Bison(AutotoolsPackage, GNUMirrorPackage): depends_on("m4@1.4.6:", type=("build", "run")) depends_on("diffutils", type="build") - patch("pgi.patch", when="@3.0.4") # The NVIDIA compilers do not currently support some GNU builtins. # Detect this case and use the fallback path. patch("nvhpc-3.6.patch", when="@3.6.0:3.6 %nvhpc") diff --git a/var/spack/repos/builtin/packages/bison/pgi.patch b/var/spack/repos/builtin/packages/bison/pgi.patch deleted file mode 100644 index 8aeaa96a51..0000000000 --- a/var/spack/repos/builtin/packages/bison/pgi.patch +++ /dev/null @@ -1,10 +0,0 @@ ---- a/lib/config.in.h -+++ b/lib/config.in.h -@@ -2182,6 +2182,7 @@ - ? defined __GNUC_STDC_INLINE__ && __GNUC_STDC_INLINE__ \ - : (199901L <= __STDC_VERSION__ \ - && !defined __HP_cc \ -+ && !defined __PGI \ - && !(defined __SUNPRO_C && __STDC__))) \ - && !defined _GL_EXTERN_INLINE_STDHEADER_BUG) - # define _GL_INLINE inline diff --git a/var/spack/repos/builtin/packages/blis/package.py b/var/spack/repos/builtin/packages/blis/package.py index 56524abfd7..e7fdec6acb 100644 --- a/var/spack/repos/builtin/packages/blis/package.py +++ b/var/spack/repos/builtin/packages/blis/package.py @@ -49,7 +49,6 @@ class BlisBase(MakefilePackage): provides("blas", when="+cblas") conflicts("%nvhpc") - conflicts("%pgi") def configure_args(self): spec = self.spec diff --git a/var/spack/repos/builtin/packages/boost/boost_1.63.0_pgi.patch b/var/spack/repos/builtin/packages/boost/boost_1.63.0_pgi.patch deleted file mode 100644 index 925592e321..0000000000 --- a/var/spack/repos/builtin/packages/boost/boost_1.63.0_pgi.patch +++ /dev/null @@ -1,290 +0,0 @@ -diff -uNr boost_1_63_0/boost/mpl/assert.hpp boost_1_63_0/boost/mpl/assert.hpp ---- boost_1_63_0/boost/mpl/assert.hpp 2016-12-22 07:33:17.000000000 -0500 -+++ boost_1_63_0/boost/mpl/assert.hpp 2017-05-31 20:09:43.704689605 -0400 -@@ -56,7 +56,7 @@ - // and GCC (which issues "unused variable" warnings when static constants are used - // at a function scope) - #if BOOST_WORKAROUND(__BORLANDC__, BOOST_TESTED_AT(0x610)) \ -- || (BOOST_MPL_CFG_GCC != 0) || (BOOST_MPL_CFG_GPU != 0) -+ || (BOOST_MPL_CFG_GCC != 0) || (BOOST_MPL_CFG_GPU != 0) || defined(__PGI) - # define BOOST_MPL_AUX_ASSERT_CONSTANT(T, expr) enum { expr } - #else - # define BOOST_MPL_AUX_ASSERT_CONSTANT(T, expr) BOOST_STATIC_CONSTANT(T, expr) -diff -uNr boost_1_63_0/boost/type_traits/is_floating_point.hpp boost_1_63_0/boost/type_traits/is_floating_point.hpp ---- boost_1_63_0/boost/type_traits/is_floating_point.hpp 2016-12-22 07:33:20.000000000 -0500 -+++ boost_1_63_0/boost/type_traits/is_floating_point.hpp 2017-05-31 20:12:50.187001957 -0400 -@@ -20,8 +20,9 @@ - template<> struct is_floating_point<float> : public true_type{}; - template<> struct is_floating_point<double> : public true_type{}; - template<> struct is_floating_point<long double> : public true_type{}; -- --#if defined(BOOST_HAS_FLOAT128) -+ -+// In PGI compiler, __float128 is a typedef, not its own type. -+#if defined(BOOST_HAS_FLOAT128) && !defined(__PGI) - template<> struct is_floating_point<__float128> : public true_type{}; - #endif - -diff -uNr boost_1_63_0/boost/spirit/home/lex/lexer/lexertl/functor.hpp boost_1_63_0/boost/spirit/home/lex/lexer/lexertl/functor.hpp ---- boost_1_63_0/boost/spirit/home/lex/lexer/lexertl/functor.hpp 2016-12-22 07:33:20.000000000 -0500 -+++ boost_1_63_0/boost/spirit/home/lex/lexer/lexertl/functor.hpp 2017-05-31 20:11:12.365788989 -0400 -@@ -98,11 +98,7 @@ - }; - - public: -- functor() --#if defined(__PGI) -- : eof() --#endif -- {} -+ functor() {} - - #if BOOST_WORKAROUND(BOOST_MSVC, <= 1310) - // somehow VC7.1 needs this (meaningless) assignment operator -diff -uNr boost_1_63_0/boost/cstdint.hpp boost_1_63_0/boost/cstdint.hpp ---- boost_1_63_0/boost/cstdint.hpp 2016-12-22 07:33:14.000000000 -0500 -+++ boost_1_63_0/boost/cstdint.hpp 2017-05-31 20:04:52.821068853 -0400 -@@ -367,9 +367,6 @@ - #include <stddef.h> - #endif - --// PGI seems to not support intptr_t/uintptr_t properly. BOOST_HAS_STDINT_H is not defined for this compiler by Boost.Config. --#if !defined(__PGIC__) -- - #if (defined(BOOST_WINDOWS) && !defined(_WIN32_WCE)) \ - || (defined(_XOPEN_UNIX) && (_XOPEN_UNIX+0 > 0) && !defined(__UCLIBC__)) \ - || defined(__CYGWIN__) \ -@@ -393,8 +390,6 @@ - - #endif - --#endif // !defined(__PGIC__) -- - #endif // BOOST_CSTDINT_HPP - - -diff -uNr boost_1_63_0/libs/filesystem/src/operations.cpp boost_1_63_0/libs/filesystem/src/operations.cpp ---- boost_1_63_0/libs/filesystem/src/operations.cpp 2016-12-22 07:33:15.000000000 -0500 -+++ boost_1_63_0/libs/filesystem/src/operations.cpp 2017-05-31 20:06:26.492231150 -0400 -@@ -2051,10 +2051,6 @@ - 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 -uNr boost_1_63_0/tools/build/src/engine/boehm_gc/configure boost_1_63_0/tools/build/src/engine/boehm_gc/configure ---- boost_1_63_0/tools/build/src/engine/boehm_gc/configure 2016-12-22 07:33:21.000000000 -0500 -+++ boost_1_63_0/tools/build/src/engine/boehm_gc/configure 2017-05-31 13:02:25.089265415 -0400 -@@ -9286,7 +9286,7 @@ - lt_prog_compiler_pic='-KPIC' - lt_prog_compiler_static='-static' - ;; -- pgcc* | pgf77* | pgf90* | pgf95*) -+ pgcc* | pgc++* | pgf77* | pgf90* | pgf95*) - # Portland Group compilers (*not* the Pentium gcc compiler, - # which looks to be a dead project) - lt_prog_compiler_wl='-Wl,' -@@ -9722,7 +9722,7 @@ - if $LD --help 2>&1 | grep ': supported targets:.* elf' > /dev/null; then - tmp_addflag= - case $cc_basename,$host_cpu in -- pgcc*) # Portland Group C compiler -+ pgcc* | pgc++*) # 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; $echo \"$new_convenience\"` ${wl}--no-whole-archive' - tmp_addflag=' $pic_flag' - ;; -@@ -13421,7 +13421,7 @@ - export_dynamic_flag_spec_CXX='${wl}--export-dynamic' - whole_archive_flag_spec_CXX='${wl}--whole-archive$convenience ${wl}--no-whole-archive' - ;; -- pgCC*) -+ pgc++*) - # Portland Group C++ compiler - archive_cmds_CXX='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname -o $lib' - archive_expsym_cmds_CXX='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname ${wl}-retain-symbols-file ${wl}$export_symbols -o $lib' -@@ -14098,7 +14098,7 @@ - lt_prog_compiler_pic_CXX='-KPIC' - lt_prog_compiler_static_CXX='-static' - ;; -- pgCC*) -+ pgc++*) - # Portland Group C++ compiler. - lt_prog_compiler_wl_CXX='-Wl,' - lt_prog_compiler_pic_CXX='-fpic' -@@ -15812,7 +15812,7 @@ - lt_prog_compiler_pic_F77='-KPIC' - lt_prog_compiler_static_F77='-static' - ;; -- pgcc* | pgf77* | pgf90* | pgf95*) -+ pgcc* | pgc++* | pgf77* | pgf90* | pgf95*) - # Portland Group compilers (*not* the Pentium gcc compiler, - # which looks to be a dead project) - lt_prog_compiler_wl_F77='-Wl,' -@@ -16248,7 +16248,7 @@ - if $LD --help 2>&1 | grep ': supported targets:.* elf' > /dev/null; then - tmp_addflag= - case $cc_basename,$host_cpu in -- pgcc*) # Portland Group C compiler -+ pgcc* | pgc++*) # Portland Group C compiler - whole_archive_flag_spec_F77='${wl}--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; $echo \"$new_convenience\"` ${wl}--no-whole-archive' - tmp_addflag=' $pic_flag' - ;; -@@ -18386,7 +18386,7 @@ - lt_prog_compiler_pic_GCJ='-KPIC' - lt_prog_compiler_static_GCJ='-static' - ;; -- pgcc* | pgf77* | pgf90* | pgf95*) -+ pgcc* | pgc++* | pgf77* | pgf90* | pgf95*) - # Portland Group compilers (*not* the Pentium gcc compiler, - # which looks to be a dead project) - lt_prog_compiler_wl_GCJ='-Wl,' -@@ -18822,7 +18822,7 @@ - if $LD --help 2>&1 | grep ': supported targets:.* elf' > /dev/null; then - tmp_addflag= - case $cc_basename,$host_cpu in -- pgcc*) # Portland Group C compiler -+ pgcc* | pgc++*) # Portland Group C compiler - whole_archive_flag_spec_GCJ='${wl}--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; $echo \"$new_convenience\"` ${wl}--no-whole-archive' - tmp_addflag=' $pic_flag' - ;; -diff -uNr boost_1_63_0/tools/build/src/engine/boehm_gc/libtool.m4 boost_1_63_0/tools/build/src/engine/boehm_gc/libtool.m4 ---- boost_1_63_0/tools/build/src/engine/boehm_gc/libtool.m4 2016-12-22 07:33:21.000000000 -0500 -+++ boost_1_63_0/tools/build/src/engine/boehm_gc/libtool.m4 2017-05-31 13:02:56.629643895 -0400 -@@ -3325,7 +3325,7 @@ - _LT_AC_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-dynamic' - _LT_AC_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive$convenience ${wl}--no-whole-archive' - ;; -- pgCC*) -+ pgc++*) - # Portland Group C++ compiler - _LT_AC_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname -o $lib' - _LT_AC_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname ${wl}-retain-symbols-file ${wl}$export_symbols -o $lib' -@@ -4977,7 +4977,7 @@ - _LT_AC_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC' - _LT_AC_TAGVAR(lt_prog_compiler_static, $1)='-static' - ;; -- pgCC*) -+ pgc++*) - # Portland Group C++ compiler. - _LT_AC_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,' - _LT_AC_TAGVAR(lt_prog_compiler_pic, $1)='-fpic' -@@ -5225,7 +5225,7 @@ - _LT_AC_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC' - _LT_AC_TAGVAR(lt_prog_compiler_static, $1)='-static' - ;; -- pgcc* | pgf77* | pgf90* | pgf95*) -+ pgcc* | pgc++* | pgf77* | pgf90* | pgf95*) - # Portland Group compilers (*not* the Pentium gcc compiler, - # which looks to be a dead project) - _LT_AC_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,' -diff -uNr boost_1_63_0/tools/build/src/tools/pgi.jam boost_1_63_0/tools/build/src/tools/pgi.jam ---- boost_1_63_0/tools/build/src/tools/pgi.jam 2016-12-22 07:33:21.000000000 -0500 -+++ boost_1_63_0/tools/build/src/tools/pgi.jam 2017-05-31 20:25:19.726296130 -0400 -@@ -25,7 +25,7 @@ - { - local condition = [ common.check-init-parameters pgi : version $(version) ] ; - -- local l_command = [ common.get-invocation-command pgi : pgCC : $(command) ] ; -+ local l_command = [ common.get-invocation-command pgi : pgc++ : $(command) ] ; - - common.handle-options pgi : $(condition) : $(l_command) : $(options) ; - -@@ -36,17 +36,10 @@ - flags pgi.compile DEFINES $(condition) : - [ feature.get-values <define> : $(options) ] : unchecked ; - -- # IOV_MAX support -- flags pgi.compile DEFINES $(condition) : __need_IOV_MAX : unchecked ; -- - # set link flags - flags pgi.link FINDLIBS-ST : [ - feature.get-values <find-static-library> : $(options) ] : unchecked ; - -- # always link lib rt to resolve clock_gettime() -- flags pgi.link FINDLIBS-SA : rt [ -- feature.get-values <find-shared-library> : $(options) ] : unchecked ; -- - gcc.init-link-flags pgi gnu $(condition) ; - } - -@@ -56,18 +49,19 @@ - generators.register-fortran-compiler pgi.compile.fortran : FORTRAN : OBJ : <toolset>pgi ; - - # Declare flags and actions for compilation --flags pgi.compile OPTIONS : -Kieee ; --flags pgi.compile OPTIONS <link>shared : -fpic -fPIC ; -+flags pgi.compile OPTIONS <link>shared : -fpic ; - flags pgi.compile OPTIONS <debug-symbols>on : -gopt ; --flags pgi.compile OPTIONS <profiling>on : -xprofile=tcov ; --flags pgi.compile OPTIONS <optimization>speed : -fast -Mx,8,0x10000000 ; --flags pgi.compile OPTIONS <optimization>space : -xO2 -xspace ; --# flags pgi.compile OPTIONS <threading>multi : -mt ; -+flags pgi.compile OPTIONS <optimization>off : -O0 ; -+flags pgi.compile OPTIONS <optimization>speed : -fast ; -+flags pgi.compile OPTIONS <optimization>space : -fast ; - - flags pgi.compile OPTIONS <warnings>off : -Minform=severe ; - flags pgi.compile OPTIONS <warnings>on : -Minform=warn ; -+flags pgi.compile OPTIONS <warnings-as-errors>on : -Werror ; - - flags pgi.compile.c++ OPTIONS <inlining>off : -INLINE:none ; -+flags pgi.compile.c++ OPTIONS <rtti>off : --no_rtti ; -+flags pgi.compile.c++ OPTIONS <exception-handling>off : --no_exceptions ; - - flags pgi.compile OPTIONS <cflags> ; - flags pgi.compile.c++ OPTIONS <cxxflags> ; -@@ -95,9 +89,8 @@ - flags pgi.link OPTIONS <debug-symbols>on : -gopt ; - # Strip the binary when no debugging is needed - flags pgi.link OPTIONS <debug-symbols>off : -s ; --flags pgi.link OPTIONS <profiling>on : -xprofile=tcov ; - flags pgi.link OPTIONS <linkflags> ; --flags pgi.link OPTIONS <link>shared : -fpic -fPIC ; -+flags pgi.link OPTIONS <link>shared : -fpic ; - flags pgi.link LINKPATH <library-path> ; - flags pgi.link FINDLIBS-ST <find-static-library> ; - flags pgi.link FINDLIBS-SA <find-shared-library> ; -@@ -107,24 +100,14 @@ - flags pgi.link LINK-RUNTIME <runtime-link>shared : dynamic ; - flags pgi.link RPATH <dll-path> ; - --# On gcc, there are separate options for dll path at runtime and --# link time. On Solaris, there's only one: -R, so we have to use --# it, even though it's bad idea. --flags pgi.link RPATH <xdll-path> ; -- - rule link ( targets * : sources * : properties * ) - { - SPACE on $(targets) = " " ; - } - --# reddish can only link statically and, somehow, the presence of -Bdynamic on the link line --# marks the executable as a dynamically linked exec even though no dynamic libraries are supplied. --# Yod on redstorm refuses to load an executable that is dynamically linked. --# removing the dynamic link options should get us where we need to be on redstorm. --# "$(CONFIG_COMMAND)" $(OPTIONS) -L"$(LINKPATH)" -R"$(RPATH)" -o "$(<)" "$(>)" "$(LIBRARIES)" -Bdynamic -l$(FINDLIBS-SA) -Bstatic -l$(FINDLIBS-ST) -B$(LINK-RUNTIME) - actions link bind LIBRARIES - { -- "$(CONFIG_COMMAND)" $(OPTIONS) -L"$(LINKPATH)" -R"$(RPATH)" -o "$(<)" "$(>)" "$(LIBRARIES)" -Bstatic -l$(FINDLIBS-ST) -Bdynamic -l$(FINDLIBS-SA) -B$(LINK-RUNTIME) -+ "$(CONFIG_COMMAND)" $(OPTIONS) -L"$(LINKPATH)" -R"$(RPATH)" -o "$(<)" "$(>)" "$(LIBRARIES)" -l$(FINDLIBS-ST) -l$(FINDLIBS-SA) - } - - # Slight mods for dlls -@@ -133,11 +116,10 @@ - SPACE on $(targets) = " " ; - } - --# "$(CONFIG_COMMAND)" $(OPTIONS) -L"$(LINKPATH)" -R"$(RPATH)" -o "$(<)" -h$(<[1]:D=) -G "$(>)" "$(LIBRARIES)" -Bdynamic -l$(FINDLIBS-SA) -Bstatic -l$(FINDLIBS-ST) -B$(LINK-RUNTIME) - - actions link.dll bind LIBRARIES - { -- "$(CONFIG_COMMAND)" $(OPTIONS) -shared -L"$(LINKPATH)" -R"$(RPATH)" -o "$(<)" "$(>)" -Wl,-h -Wl,$(<[1]:D=) "$(LIBRARIES)" -Bdynamic -l$(FINDLIBS-SA) -Bstatic -l$(FINDLIBS-ST) -B$(LINK-RUNTIME) -+ "$(CONFIG_COMMAND)" $(OPTIONS) -shared -L"$(LINKPATH)" -R"$(RPATH)" -o "$(<)" "$(>)" "$(LIBRARIES)" -l$(FINDLIBS-SA) -l$(FINDLIBS-ST) - } - - actions updated together piecemeal pgi.archive diff --git a/var/spack/repos/builtin/packages/boost/boost_1.63.0_pgi_17.4_workaround.patch b/var/spack/repos/builtin/packages/boost/boost_1.63.0_pgi_17.4_workaround.patch deleted file mode 100644 index 3bfb989f80..0000000000 --- a/var/spack/repos/builtin/packages/boost/boost_1.63.0_pgi_17.4_workaround.patch +++ /dev/null @@ -1,250 +0,0 @@ -diff -uNr boost_1_63_0/boost/archive/archive_exception.hpp boost_1_63_0/boost/archive/archive_exception.hpp ---- boost_1_63_0/boost/archive/archive_exception.hpp 2016-12-22 07:33:19.000000000 -0500 -+++ boost_1_63_0/boost/archive/archive_exception.hpp 2017-06-01 22:07:26.013983567 -0400 -@@ -42,13 +42,6 @@ - class BOOST_SYMBOL_VISIBLE archive_exception : - public virtual std::exception - { --private: -- char m_buffer[128]; --protected: -- BOOST_ARCHIVE_DECL unsigned int -- append(unsigned int l, const char * a); -- BOOST_ARCHIVE_DECL -- archive_exception() BOOST_NOEXCEPT; - public: - typedef enum { - no_exception, // initialized without code -@@ -90,6 +83,15 @@ - BOOST_ARCHIVE_DECL archive_exception(archive_exception const &) BOOST_NOEXCEPT ; - virtual BOOST_ARCHIVE_DECL ~archive_exception() BOOST_NOEXCEPT_OR_NOTHROW ; - virtual BOOST_ARCHIVE_DECL const char * what() const BOOST_NOEXCEPT_OR_NOTHROW ; -+protected: -+ BOOST_ARCHIVE_DECL unsigned int -+ append(unsigned int l, const char * a); -+ BOOST_ARCHIVE_DECL -+ archive_exception() BOOST_NOEXCEPT; -+private: -+ char m_buffer[128]; -+ BOOST_ARCHIVE_DECL void -+ pgi_bug_workaround_init(archive_exception *, const char *, const char *); - }; - - }// namespace archive -diff -uNr boost_1_63_0/boost/archive/xml_archive_exception.hpp boost_1_63_0/boost/archive/xml_archive_exception.hpp ---- boost_1_63_0/boost/archive/xml_archive_exception.hpp 2016-12-22 07:33:19.000000000 -0500 -+++ boost_1_63_0/boost/archive/xml_archive_exception.hpp 2017-05-31 21:02:03.373700156 -0400 -@@ -47,6 +47,9 @@ - ); - BOOST_ARCHIVE_DECL xml_archive_exception(xml_archive_exception const &) ; - virtual BOOST_ARCHIVE_DECL ~xml_archive_exception() BOOST_NOEXCEPT_OR_NOTHROW ; -+private: -+ BOOST_ARCHIVE_DECL void -+ pgi_bug_workaround_init_xml(xml_archive_exception *, exception_code, const char *, const char *); - }; - - }// namespace archive -diff -uNr boost_1_63_0/libs/serialization/src/archive_exception.cpp boost_1_63_0/libs/serialization/src/archive_exception.cpp ---- boost_1_63_0/libs/serialization/src/archive_exception.cpp 2016-12-22 07:33:19.000000000 -0500 -+++ boost_1_63_0/libs/serialization/src/archive_exception.cpp 2017-06-01 22:06:14.193128909 -0400 -@@ -37,83 +37,90 @@ - } - - BOOST_ARCHIVE_DECL --archive_exception::archive_exception( -- exception_code c, -- const char * e1, -- const char * e2 --) BOOST_NOEXCEPT : -- code(c) -+void -+archive_exception::pgi_bug_workaround_init(archive_exception *new_object, const char *e1, const char *e2) - { - unsigned int length = 0; -- switch(code){ -+ switch(new_object->code){ - case no_exception: -- length = append(length, "uninitialized exception"); -+ length = new_object->append(length, "uninitialized exception"); - break; -- case unregistered_class: -- length = append(length, "unregistered class"); -+ case archive_exception::unregistered_class: -+ length = new_object->append(length, "unregistered class"); - if(NULL != e1){ -- length = append(length, " - "); -- length = append(length, e1); -+ length = new_object->append(length, " - "); -+ length = new_object->append(length, e1); - } - break; - case invalid_signature: -- length = append(length, "invalid signature"); -+ length = new_object->append(length, "invalid signature"); - break; - case unsupported_version: -- length = append(length, "unsupported version"); -+ length = new_object->append(length, "unsupported version"); - break; - case pointer_conflict: -- length = append(length, "pointer conflict"); -+ length = new_object->append(length, "pointer conflict"); - break; - case incompatible_native_format: -- length = append(length, "incompatible native format"); -+ length = new_object->append(length, "incompatible native format"); - if(NULL != e1){ -- length = append(length, " - "); -- length = append(length, e1); -+ length = new_object->append(length, " - "); -+ length = new_object->append(length, e1); - } - break; - case array_size_too_short: -- length = append(length, "array size too short"); -+ length = new_object->append(length, "array size too short"); - break; - case input_stream_error: -- length = append(length, "input stream error"); -+ length = new_object->append(length, "input stream error"); - break; - case invalid_class_name: -- length = append(length, "class name too long"); -+ length = new_object->append(length, "class name too long"); - break; - case unregistered_cast: -- length = append(length, "unregistered void cast "); -- length = append(length, (NULL != e1) ? e1 : "?"); -- length = append(length, "<-"); -- length = append(length, (NULL != e2) ? e2 : "?"); -+ length = new_object->append(length, "unregistered void cast "); -+ length = new_object->append(length, (NULL != e1) ? e1 : "?"); -+ length = new_object->append(length, "<-"); -+ length = new_object->append(length, (NULL != e2) ? e2 : "?"); - break; - case unsupported_class_version: -- length = append(length, "class version "); -- length = append(length, (NULL != e1) ? e1 : "<unknown class>"); -+ length = new_object->append(length, "class version "); -+ length = new_object->append(length, (NULL != e1) ? e1 : "<unknown class>"); - break; - case other_exception: - // if get here - it indicates a derived exception - // was sliced by passing by value in catch -- length = append(length, "unknown derived exception"); -+ length = new_object->append(length, "unknown derived exception"); - break; - case multiple_code_instantiation: -- length = append(length, "code instantiated in more than one module"); -+ length = new_object->append(length, "code instantiated in more than one module"); - if(NULL != e1){ -- length = append(length, " - "); -- length = append(length, e1); -+ length = new_object->append(length, " - "); -+ length = new_object->append(length, e1); - } - break; - case output_stream_error: -- length = append(length, "output stream error"); -+ length = new_object->append(length, "output stream error"); - break; - default: - BOOST_ASSERT(false); -- length = append(length, "programming error"); -+ length = new_object->append(length, "programming error"); - break; - } - } - - BOOST_ARCHIVE_DECL -+archive_exception::archive_exception( -+ exception_code c, -+ const char * e1, -+ const char * e2 -+) BOOST_NOEXCEPT : -+ code(c) -+{ -+ pgi_bug_workaround_init(this, e1, e2); -+} -+ -+BOOST_ARCHIVE_DECL - archive_exception::archive_exception(archive_exception const & oth) BOOST_NOEXCEPT : - std::exception(oth), - code(oth.code) -diff -uNr boost_1_63_0/libs/serialization/src/xml_archive_exception.cpp boost_1_63_0/libs/serialization/src/xml_archive_exception.cpp ---- boost_1_63_0/libs/serialization/src/xml_archive_exception.cpp 2016-12-22 07:33:19.000000000 -0500 -+++ boost_1_63_0/libs/serialization/src/xml_archive_exception.cpp 2017-05-31 20:58:15.650876427 -0400 -@@ -26,41 +26,48 @@ - namespace archive { - - BOOST_ARCHIVE_DECL -+void -+xml_archive_exception::pgi_bug_workaround_init_xml(xml_archive_exception *new_object, exception_code c, const char *e1, const char *e2) -+{ -+ switch(c){ -+ case xml_archive_parsing_error: -+ new_object->append(0, "unrecognized XML syntax"); -+ break; -+ case xml_archive_tag_mismatch:{ -+ unsigned int l; -+ l = new_object->append(0, "XML start/end tag mismatch"); -+ if(NULL != e1){ -+ l = new_object->append(l, " - "); -+ new_object->append(l, e1); -+ } -+ break; -+ } -+ case xml_archive_tag_name_error: -+ new_object->append(0, "Invalid XML tag name"); -+ break; -+ default: -+ BOOST_ASSERT(false); -+ new_object->append(0, "programming error"); -+ break; -+ } -+} -+ -+BOOST_ARCHIVE_DECL - xml_archive_exception::xml_archive_exception( - exception_code c, - const char * e1, - const char * e2 - ) : - archive_exception(other_exception, e1, e2) -- { -- switch(c){ -- case xml_archive_parsing_error: -- archive_exception::append(0, "unrecognized XML syntax"); -- break; -- case xml_archive_tag_mismatch:{ -- unsigned int l; -- l = archive_exception::append(0, "XML start/end tag mismatch"); -- if(NULL != e1){ -- l = archive_exception::append(l, " - "); -- archive_exception::append(l, e1); -- } -- break; -- } -- case xml_archive_tag_name_error: -- archive_exception::append(0, "Invalid XML tag name"); -- break; -- default: -- BOOST_ASSERT(false); -- archive_exception::append(0, "programming error"); -- break; -- } -- } -+{ -+ pgi_bug_workaround_init_xml(this, c, e1, e2); -+} - - BOOST_ARCHIVE_DECL - xml_archive_exception::xml_archive_exception(xml_archive_exception const & oth) : - archive_exception(oth) -- { -- } -+{ -+} - - BOOST_ARCHIVE_DECL xml_archive_exception::~xml_archive_exception() BOOST_NOEXCEPT_OR_NOTHROW {} - diff --git a/var/spack/repos/builtin/packages/boost/boost_1.67.0_pgi.patch b/var/spack/repos/builtin/packages/boost/boost_1.67.0_pgi.patch deleted file mode 100644 index b2c7acaf6b..0000000000 --- a/var/spack/repos/builtin/packages/boost/boost_1.67.0_pgi.patch +++ /dev/null @@ -1,13 +0,0 @@ ---- a/libs/filesystem/src/operations.cpp -+++ b/libs/filesystem/src/operations.cpp -@@ -2056,10 +2056,6 @@ - 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/boost/package.py b/var/spack/repos/builtin/packages/boost/package.py index 0dbb60ae9b..dc7317c6bc 100644 --- a/var/spack/repos/builtin/packages/boost/package.py +++ b/var/spack/repos/builtin/packages/boost/package.py @@ -330,11 +330,6 @@ class Boost(Package): # Patch fix from https://svn.boost.org/trac/boost/ticket/10125 patch("call_once_variadic.patch", when="@1.54.0:1.55%gcc@5.0:") - # Patch fix for PGI compiler - patch("boost_1.67.0_pgi.patch", when="@1.67.0:1.68%pgi") - patch("boost_1.63.0_pgi.patch", when="@1.63.0%pgi") - patch("boost_1.63.0_pgi_17.4_workaround.patch", when="@1.63.0%pgi@17.4") - # Patch to override the PGI toolset when using the NVIDIA compilers patch("nvhpc-1.74.patch", when="@1.74.0:1.75%nvhpc") patch("nvhpc-1.76.patch", when="@1.76.0:1.76%nvhpc") @@ -453,7 +448,6 @@ class Boost(Package): 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") @@ -484,7 +478,6 @@ class Boost(Package): "%arm": "clang", "%xl": "xlcpp", "%xl_r": "xlcpp", - "%pgi": "pgi", "%nvhpc": "pgi", "%fj": "clang", } diff --git a/var/spack/repos/builtin/packages/bzip2/package.py b/var/spack/repos/builtin/packages/bzip2/package.py index 7bcb0bfc34..f71c2bd0c5 100644 --- a/var/spack/repos/builtin/packages/bzip2/package.py +++ b/var/spack/repos/builtin/packages/bzip2/package.py @@ -84,7 +84,7 @@ class Bzip2(Package, SourcewarePackage): filter_file(r"^CC=gcc", "CC={0}".format(spack_cc), "Makefile-libbz2_so") # The Makefiles use GCC flags that are incompatible with PGI - if self.spec.satisfies("%pgi") or self.spec.satisfies("%nvhpc@:20.11"): + if self.spec.satisfies("%nvhpc@:20.11"): filter_file("-Wall -Winline", "-Minform=inform", "Makefile") filter_file("-Wall -Winline", "-Minform=inform", "Makefile-libbz2_so") diff --git a/var/spack/repos/builtin/packages/cbench/package.py b/var/spack/repos/builtin/packages/cbench/package.py index ad598b6bb7..1668faa104 100644 --- a/var/spack/repos/builtin/packages/cbench/package.py +++ b/var/spack/repos/builtin/packages/cbench/package.py @@ -47,7 +47,7 @@ class Cbench(MakefilePackage): env.set("MPIHOME", self.spec["mpi"].prefix) # Pick the compiler collection/chain you want to compile with. - # Examples include: intel, gcc, pgi. + # Examples include: intel, gcc. env.set("COMPILERCOLLECTION", self.compiler.name) # Linking flags for BLAS/LAPACK and FFTW diff --git a/var/spack/repos/builtin/packages/chapel/package.py b/var/spack/repos/builtin/packages/chapel/package.py index 0538221e35..21f19a0c00 100644 --- a/var/spack/repos/builtin/packages/chapel/package.py +++ b/var/spack/repos/builtin/packages/chapel/package.py @@ -96,7 +96,6 @@ class Chapel(AutotoolsPackage, CudaPackage, ROCmPackage): "intel": "intel", "llvm": "llvm", "oneapi": "intel", - "pgi": "pgi", "rocmcc": "clang", "unset": "unset", } @@ -553,7 +552,6 @@ class Chapel(AutotoolsPackage, CudaPackage, ROCmPackage): "%intel", "%llvm", "%oneapi", - "%pgi", "%rocmcc", policy="one_of", ) diff --git a/var/spack/repos/builtin/packages/cloverleaf-ref/package.py b/var/spack/repos/builtin/packages/cloverleaf-ref/package.py index 7982479ecc..4028e319e2 100644 --- a/var/spack/repos/builtin/packages/cloverleaf-ref/package.py +++ b/var/spack/repos/builtin/packages/cloverleaf-ref/package.py @@ -97,9 +97,6 @@ class CloverleafRef(MakefilePackage): targets.append("COMPILER=CRAY") targets.append("OMP_CRAY=-fopenmp") - elif self.spec.satisfies("%pgi"): - targets.append("COMPILER=PGI") - elif self.spec.satisfies("%xl"): targets.append("COMPILER=XLF") diff --git a/var/spack/repos/builtin/packages/cloverleaf/package.py b/var/spack/repos/builtin/packages/cloverleaf/package.py index a561b1039e..042733a9e0 100644 --- a/var/spack/repos/builtin/packages/cloverleaf/package.py +++ b/var/spack/repos/builtin/packages/cloverleaf/package.py @@ -96,10 +96,6 @@ class Cloverleaf(MakefilePackage): targets.append("CFLAGS_INTEL=") elif self.spec.satisfies("%aocc"): targets.append("COMPILER=AOCC") - elif self.spec.satisfies("%pgi"): - targets.append("COMPILER=PGI") - targets.append("FLAGS_PGI=") - targets.append("CFLAGS_PGI=") elif self.spec.satisfies("%xl"): targets.append("COMPILER=XLF") targets.append("FLAGS_XLF=") diff --git a/var/spack/repos/builtin/packages/cloverleaf3d/package.py b/var/spack/repos/builtin/packages/cloverleaf3d/package.py index 8e8f8de0fd..f52e3df2db 100644 --- a/var/spack/repos/builtin/packages/cloverleaf3d/package.py +++ b/var/spack/repos/builtin/packages/cloverleaf3d/package.py @@ -67,10 +67,6 @@ class Cloverleaf3d(MakefilePackage): targets.append("COMPILER=INTEL") targets.append("FLAGS_INTEL=") targets.append("CFLAGS_INTEL=") - elif self.spec.satisfies("%pgi"): - targets.append("COMPILER=PGI") - targets.append("FLAGS_PGI=") - targets.append("CFLAGS_PGI=") elif self.spec.satisfies("%xl"): targets.append("COMPILER=XLF") targets.append("FLAGS_XLF=") diff --git a/var/spack/repos/builtin/packages/cmake/package.py b/var/spack/repos/builtin/packages/cmake/package.py index 9b4b760a33..a4baa66ca4 100644 --- a/var/spack/repos/builtin/packages/cmake/package.py +++ b/var/spack/repos/builtin/packages/cmake/package.py @@ -234,7 +234,7 @@ class Cmake(Package): 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. + # Should be fixed in 3.19. This patch is needed also for nvhpc. # https://gitlab.kitware.com/cmake/cmake/-/merge_requests/5025 patch("pgi-cxx-ansi.patch", when="@3.15:3.18") diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index 71d6bab5a2..dc24d525f3 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -434,7 +434,6 @@ class MakefileBuilder(makefile.MakefileBuilder): optimization_flags = { "gcc": ["-O2", "-funroll-loops", "-ftree-vectorize"], "intel": ["-O2", "-pc64", "-unroll"], - "pgi": ["-fast"], "nvhpc": ["-fast"], "cce": ["-O2"], "xl": ["-O3"], @@ -483,7 +482,7 @@ class MakefileBuilder(makefile.MakefileBuilder): ] elif spec.satisfies("%aocc") or spec.satisfies("%rocmcc"): fcflags += ["-ffree-form", "-Mbackslash"] - elif spec.satisfies("%pgi") or spec.satisfies("%nvhpc"): + elif spec.satisfies("%nvhpc"): fcflags += ["-Mfreeform", "-Mextend"] elif spec.satisfies("%cce"): fcflags += ["-emf", "-ffree", "-hflex_mp=strict"] diff --git a/var/spack/repos/builtin/packages/dock/package.py b/var/spack/repos/builtin/packages/dock/package.py index 86f7d5153a..1188963c98 100644 --- a/var/spack/repos/builtin/packages/dock/package.py +++ b/var/spack/repos/builtin/packages/dock/package.py @@ -33,7 +33,7 @@ class Dock(Package): env.set("MPICH_HOME", self.spec["mpi"].prefix) def install(self, spec, prefix): - compiler_targets = {"gcc": "gnu", "intel": "intel", "pgi": "pgi", "sgi": "sgi"} + compiler_targets = {"gcc": "gnu", "intel": "intel", "sgi": "sgi"} if self.compiler.name not in compiler_targets: template = "Unsupported compiler {0}! Supported compilers: {1}" @@ -41,9 +41,6 @@ class Dock(Package): raise InstallError(err) - if self.compiler.name == "pgi" and "+mpi" in spec: - raise InstallError("Parallel output is not supported with pgi.") - with working_dir("install"): sh_args = ["./configure", compiler_targets[self.compiler.name]] config_source = compiler_targets[self.compiler.name] diff --git a/var/spack/repos/builtin/packages/elk/package.py b/var/spack/repos/builtin/packages/elk/package.py index 4f35744222..a010200e49 100644 --- a/var/spack/repos/builtin/packages/elk/package.py +++ b/var/spack/repos/builtin/packages/elk/package.py @@ -125,8 +125,6 @@ class Elk(MakefilePackage): flags = "-O3 -ffast-math -funroll-loops" if spec.satisfies("%gcc@10:"): flags += " -fallow-argument-mismatch " - elif self.compiler.name == "pgi": - flags = "-O3 -lpthread" elif self.compiler.name == "g95": flags = "-O3 -fno-second-underscore" elif self.compiler.name == "nag": diff --git a/var/spack/repos/builtin/packages/esmf/package.py b/var/spack/repos/builtin/packages/esmf/package.py index c953465b6e..9eb145478a 100644 --- a/var/spack/repos/builtin/packages/esmf/package.py +++ b/var/spack/repos/builtin/packages/esmf/package.py @@ -276,8 +276,6 @@ class MakefileBuilder(spack.build_systems.makefile.MakefileBuilder): ) elif self.pkg.compiler.name == "nag": env.set("ESMF_COMPILER", "nag") - elif self.pkg.compiler.name == "pgi": - env.set("ESMF_COMPILER", "pgi") elif self.pkg.compiler.name == "nvhpc": env.set("ESMF_COMPILER", "nvhpc") elif self.pkg.compiler.name == "cce": diff --git a/var/spack/repos/builtin/packages/fftw/package.py b/var/spack/repos/builtin/packages/fftw/package.py index 44aace9f3e..028248fa93 100644 --- a/var/spack/repos/builtin/packages/fftw/package.py +++ b/var/spack/repos/builtin/packages/fftw/package.py @@ -129,12 +129,8 @@ class FftwBase(AutotoolsPackage): # float only float_simd_features = ["altivec", "sse", "neon"] - # Workaround PGI compiler bug when avx2 is enabled - if spec.satisfies("%pgi") and "avx2" in simd_features: - simd_features.remove("avx2") - # Workaround NVIDIA/PGI compiler bug when avx512 is enabled - if spec.satisfies("%nvhpc") or spec.satisfies("%pgi"): + if spec.satisfies("%nvhpc"): if "avx512" in simd_features: simd_features.remove("avx512") @@ -254,5 +250,4 @@ class Fftw(FftwBase): ) patch("pfft-3.3.5.patch", when="@3.3.5:3.3.8+pfft_patches", level=0) patch("pfft-3.3.4.patch", when="@3.3.4+pfft_patches", level=0) - patch("pgi-3.3.6-pl2.patch", when="@3.3.6-pl2%pgi", level=0) patch("intel-configure.patch", when="@3:3.3.8%intel", level=0) diff --git a/var/spack/repos/builtin/packages/fftw/pgi-3.3.6-pl2.patch b/var/spack/repos/builtin/packages/fftw/pgi-3.3.6-pl2.patch deleted file mode 100644 index 1822db1231..0000000000 --- a/var/spack/repos/builtin/packages/fftw/pgi-3.3.6-pl2.patch +++ /dev/null @@ -1,121 +0,0 @@ ---- configure 2017-01-27 16:08:52.000000000 -0500 -+++ configure 2017-05-08 22:34:32.358821182 -0400 -@@ -21744,117 +21744,7 @@ - - # Various other checks: - if test "x$acx_pthread_ok" = xyes; then -- save_LIBS="$LIBS" -- LIBS="$PTHREAD_LIBS $LIBS" -- save_CFLAGS="$CFLAGS" -- CFLAGS="$CFLAGS $PTHREAD_CFLAGS" -- -- # Detect AIX lossage: JOINABLE attribute is called UNDETACHED. -- { $as_echo "$as_me:${as_lineno-$LINENO}: checking for joinable pthread attribute" >&5 --$as_echo_n "checking for joinable pthread attribute... " >&6; } -- attr_name=unknown -- for attr in PTHREAD_CREATE_JOINABLE PTHREAD_CREATE_UNDETACHED; do -- cat confdefs.h - <<_ACEOF >conftest.$ac_ext --/* end confdefs.h. */ --#include <pthread.h> --#ifdef F77_DUMMY_MAIN -- --# ifdef __cplusplus -- extern "C" --# endif -- int F77_DUMMY_MAIN() { return 1; } -- --#endif --int --main () --{ --int attr=$attr; return attr; -- ; -- return 0; --} --_ACEOF --if ac_fn_c_try_link "$LINENO"; then : -- attr_name=$attr; break --fi --rm -f core conftest.err conftest.$ac_objext \ -- conftest$ac_exeext conftest.$ac_ext -- done -- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $attr_name" >&5 --$as_echo "$attr_name" >&6; } -- if test "$attr_name" != PTHREAD_CREATE_JOINABLE; then -- --cat >>confdefs.h <<_ACEOF --#define PTHREAD_CREATE_JOINABLE $attr_name --_ACEOF -- -- fi -- -- { $as_echo "$as_me:${as_lineno-$LINENO}: checking if more special flags are required for pthreads" >&5 --$as_echo_n "checking if more special flags are required for pthreads... " >&6; } -- flag=no -- case "${host_cpu}-${host_os}" in -- *-aix* | *-freebsd* | *-darwin*) flag="-D_THREAD_SAFE";; -- *solaris* | *-osf* | *-hpux*) flag="-D_REENTRANT";; -- esac -- { $as_echo "$as_me:${as_lineno-$LINENO}: result: ${flag}" >&5 --$as_echo "${flag}" >&6; } -- if test "x$flag" != xno; then -- PTHREAD_CFLAGS="$flag $PTHREAD_CFLAGS" -- fi -- -- LIBS="$save_LIBS" -- CFLAGS="$save_CFLAGS" -- -- # More AIX lossage: must compile with xlc_r or cc_r -- if test x"$GCC" != xyes; then -- for ac_prog in xlc_r cc_r --do -- # Extract the first word of "$ac_prog", so it can be a program name with args. --set dummy $ac_prog; ac_word=$2 --{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 --$as_echo_n "checking for $ac_word... " >&6; } --if ${ac_cv_prog_PTHREAD_CC+:} false; then : -- $as_echo_n "(cached) " >&6 --else -- if test -n "$PTHREAD_CC"; then -- ac_cv_prog_PTHREAD_CC="$PTHREAD_CC" # Let the user override the test. --else --as_save_IFS=$IFS; IFS=$PATH_SEPARATOR --for as_dir in $PATH --do -- IFS=$as_save_IFS -- test -z "$as_dir" && as_dir=. -- for ac_exec_ext in '' $ac_executable_extensions; do -- if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then -- ac_cv_prog_PTHREAD_CC="$ac_prog" -- $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 -- break 2 -- fi --done -- done --IFS=$as_save_IFS -- --fi --fi --PTHREAD_CC=$ac_cv_prog_PTHREAD_CC --if test -n "$PTHREAD_CC"; then -- { $as_echo "$as_me:${as_lineno-$LINENO}: result: $PTHREAD_CC" >&5 --$as_echo "$PTHREAD_CC" >&6; } --else -- { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 --$as_echo "no" >&6; } --fi -- -- -- test -n "$PTHREAD_CC" && break --done --test -n "$PTHREAD_CC" || PTHREAD_CC="${CC}" -- -- else -- PTHREAD_CC=$CC -- fi --else -- PTHREAD_CC="$CC" -+ PTHREAD_CC="$CC" - fi - - diff --git a/var/spack/repos/builtin/packages/fleur/package.py b/var/spack/repos/builtin/packages/fleur/package.py index dc2e6d7727..d5294733cc 100644 --- a/var/spack/repos/builtin/packages/fleur/package.py +++ b/var/spack/repos/builtin/packages/fleur/package.py @@ -68,11 +68,6 @@ class Fleur(Package): conflicts("%intel@:16.0.4", msg="ifort version <16.0 will most probably not work correctly") conflicts("%gcc@:6.3.0", msg="gfortran is known to work with versions newer than v6.3") - conflicts( - "%pgi@:18.4.0", - msg="You need at least PGI version 18.4 \ - but might still run into some problems.", - ) conflicts("~scalapack", when="+elpa", msg="ELPA requires scalapack support") conflicts("@:5.0", when="fft=fftw", msg="FFTW interface is supported from Fleur v5.0") conflicts("@:5.0", when="+wannier90", msg="wannier90 is supported from Fleur v5.0") diff --git a/var/spack/repos/builtin/packages/gaussian-src/16-C.01-fix-building-c-code-with-pgcc.patch b/var/spack/repos/builtin/packages/gaussian-src/16-C.01-fix-building-c-code-with-pgcc.patch deleted file mode 100644 index 50ec242a41..0000000000 --- a/var/spack/repos/builtin/packages/gaussian-src/16-C.01-fix-building-c-code-with-pgcc.patch +++ /dev/null @@ -1,25 +0,0 @@ -From ed64417746c570a00b0ba6c2c8091de4845f9ed1 Mon Sep 17 00:00:00 2001 -From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch> -Date: Tue, 6 Oct 2020 17:48:12 +0200 -Subject: [PATCH 4/5] fix building c code with pgcc - ---- - bsd/i386.make | 2 +- - 1 file changed, 1 insertion(+), 1 deletion(-) - -diff --git a/bsd/i386.make b/bsd/i386.make -index 759ed84..9018c1b 100644 ---- a/bsd/i386.make -+++ b/bsd/i386.make -@@ -130,7 +130,7 @@ VECTOR = -Mvect=assoc,recog,noaltcode,cachesize:$(CSIZE)$(VECTOR4) - MACHTY = p7-32 - MACH = -tp $(MACHTY) $(TIME) - OPTOI = -m32 -march=i486 -malign-double --GCCOPTS = -ffast-math -funroll-loops -fexpensive-optimizations -+GCCOPTS = -fast - OPTFLAGO = $(OPTOI) -O3 $(GCCOPTS) - # Flags for portland compiler. - # --- -2.26.2 - diff --git a/var/spack/repos/builtin/packages/gaussian-src/16-C.01-fix-shebangs.patch b/var/spack/repos/builtin/packages/gaussian-src/16-C.01-fix-shebangs.patch deleted file mode 100644 index fe3681e4ad..0000000000 --- a/var/spack/repos/builtin/packages/gaussian-src/16-C.01-fix-shebangs.patch +++ /dev/null @@ -1,841 +0,0 @@ -From 7f5d1d92b18951e364fe32a247056eea0cf130a0 Mon Sep 17 00:00:00 2001 -From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch> -Date: Tue, 6 Oct 2020 17:55:08 +0200 -Subject: [PATCH 5/5] fix shebangs - ---- - bsd/bldg16 | 3 ++- - bsd/cachesize | 2 +- - bsd/checkf | 2 +- - bsd/ckall | 2 +- - bsd/ckwork | 2 +- - bsd/clearipc | 2 +- - bsd/clone-working | 2 +- - bsd/cloneg16 | 2 +- - bsd/co1 | 2 +- - bsd/comp | 2 +- - bsd/comp4 | 2 +- - bsd/compall | 2 +- - bsd/comphalf | 2 +- - bsd/diff-src | 2 +- - bsd/do-util | 3 ++- - bsd/dom | 2 +- - bsd/extract-ghelp | 2 +- - bsd/extract-ghelp-16 | 2 +- - bsd/findnew | 2 +- - bsd/findnew1 | 2 +- - bsd/fixlib | 2 +- - bsd/fixlinda | 2 +- - bsd/g16test | 2 +- - bsd/gau-arflags | 2 +- - bsd/gau-fixexe | 2 +- - bsd/gau-get | 2 +- - bsd/gau-hname | 2 +- - bsd/gau-nname | 2 +- - bsd/gau-ranlib | 2 +- - bsd/gau-unlimit | 2 +- - bsd/get-ref | 2 +- - bsd/getx | 2 +- - bsd/gzt | 2 +- - bsd/install | 2 +- - bsd/l1.make | 2 +- - bsd/l4x | 3 ++- - bsd/l9999.make | 2 +- - bsd/linda-ln | 2 +- - bsd/linda-lnx | 2 +- - bsd/link.make | 2 +- - bsd/lx-working | 2 +- - bsd/lxi-working | 2 +- - bsd/make-edir | 2 +- - bsd/make-ldir | 2 +- - bsd/make-nutill | 3 ++- - bsd/makeutilcd | 2 +- - bsd/mkt | 3 ++- - bsd/mkunixcd | 2 +- - bsd/movemerged | 2 +- - bsd/rdmat-ext | 2 +- - bsd/ren | 2 +- - bsd/rfhello | 3 ++- - bsd/rs6k.make | 3 ++- - bsd/save-working | 2 +- - bsd/set-mflags | 2 +- - bsd/setcdef | 2 +- - bsd/setup-linda | 2 +- - bsd/ssrunx | 3 ++- - bsd/ssruny | 2 +- - bsd/subg16 | 4 ++-- - bsd/sumcpu | 2 +- - bsd/tbzip | 2 +- - bsd/test-times | 2 +- - bsd/testl1 | 2 +- - bsd/testunf | 3 ++- - bsd/tgzip | 2 +- - bsd/tree.make | 2 +- - bsd/txzip | 2 +- - bsd/tzzip | 2 +- - bsd/upd | 2 +- - bsd/upd-util | 3 ++- - bsd/updatelink | 2 +- - bsd/updatelink1 | 2 +- - bsd/x86type | 2 +- - 74 files changed, 85 insertions(+), 75 deletions(-) - -diff --git a/bsd/bldg16 b/bsd/bldg16 -index c3db34a..f7af456 100755 ---- a/bsd/bldg16 -+++ b/bsd/bldg16 -@@ -1,4 +1,5 @@ --#!/bin/csh -xf -+#!/usr/bin/env tcsh -+set echo - # - # Build Gaussian 16 from source as from distribution tape. The default - # directory should be the main g16 directory. -diff --git a/bsd/cachesize b/bsd/cachesize -index 5ec2c79..f03b7e7 100755 ---- a/bsd/cachesize -+++ b/bsd/cachesize -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set x = `gau-machine` - @ minc = "524288" - if ($?GAUSS_CACHESIZE) then -diff --git a/bsd/checkf b/bsd/checkf -index f7a271e..0a672b7 100755 ---- a/bsd/checkf -+++ b/bsd/checkf -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set name = "xxx-ftnchek" - set flags = "-noextern -sixchar -common=2 -novice=no -arguments=3 -array=0 -common=2 -f77=automatic-array,common-subprog-name,quotemark,statement-order,do-enddo,inline-comment,mixed-common -notruncation -truncation=real-do-index -truncation=real-subscript -nopure -nopretty -pretty=embedded-spaces -pretty=long-line -pretty=missing-space -usage=no-do-index-modified,no-arg-alias,no-arg-array-alias,arg-const-modified,ext-multiply-defined,var-set-unused,var-uninitialized,var-unused -nowrap -portability=tab -quiet" - set TD = "/tmp" -diff --git a/bsd/ckall b/bsd/ckall -index 0c058ec..177be53 100755 ---- a/bsd/ckall -+++ b/bsd/ckall -@@ -1,3 +1,3 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - cat $g16root/g16/{l[0-9]*,lapack-generic,blas-generic,mm,formchk,unfchk,chkchk,c8616,copychk,cubegen,cubman,dummy,freqchk,freqmem,newzmat,wrappers,rwfdump,solname,trajgen,*util*,bsd/mdutil,bsd/mdl1}.F >all.all - checkf all.all x >&all.dat -diff --git a/bsd/ckwork b/bsd/ckwork -index 66f99a1..5194544 100755 ---- a/bsd/ckwork -+++ b/bsd/ckwork -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Check for routines already in working which are also new in the - # current directory. -diff --git a/bsd/clearipc b/bsd/clearipc -index a94cc26..71a9dd7 100755 ---- a/bsd/clearipc -+++ b/bsd/clearipc -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - unalias rm - if ("`whoami`" == "root") then - set us="x" -diff --git a/bsd/clone-working b/bsd/clone-working -index 22afef2..6c5f2e5 100755 ---- a/bsd/clone-working -+++ b/bsd/clone-working -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if ("$1" == "-s") then - set ww = "/$workbase/1/frisch/working/save-$2" - mkdir save-$2 -diff --git a/bsd/cloneg16 b/bsd/cloneg16 -index ef69d69..56fb567 100755 ---- a/bsd/cloneg16 -+++ b/bsd/cloneg16 -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Make a cloned copy of the Gaussian directories, with soft links - # to the source files but local copies of objects. -diff --git a/bsd/co1 b/bsd/co1 -index 12ea322..007a2f5 100755 ---- a/bsd/co1 -+++ b/bsd/co1 -@@ -1,2 +1,2 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - ../bsd/comp -o ${1}*.F >&../make${1}.log -diff --git a/bsd/comp b/bsd/comp -index cb1737c..5a583c3 100755 ---- a/bsd/comp -+++ b/bsd/comp -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - source $g16root/g16/bsd/g16.login - set mfile = "bsd/g16.make" - set mflags = "`set-mflags`" -diff --git a/bsd/comp4 b/bsd/comp4 -index 0ca0806..7e11bf8 100755 ---- a/bsd/comp4 -+++ b/bsd/comp4 -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if (-e bsd/g16.make) make -f bsd/g16.make clean - rm -f make*log - bsd/bldg16 $argv >&make.log & -diff --git a/bsd/compall b/bsd/compall -index d53392d..0b68de0 100755 ---- a/bsd/compall -+++ b/bsd/compall -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if (-e bsd/g16.make) make -f bsd/g16.make clean - rm -f make*log - bsd/bldg16 $argv >&make.log & -diff --git a/bsd/comphalf b/bsd/comphalf -index 43bb0ee..b5fd399 100755 ---- a/bsd/comphalf -+++ b/bsd/comphalf -@@ -1,2 +1,2 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - bsd/comp newzmat.F l1.F l101.F l10[2-9].F l1[1-2]?.F l[2-9]*.F l1???.F -diff --git a/bsd/diff-src b/bsd/diff-src -index 8b63e3a..cb08d97 100755 ---- a/bsd/diff-src -+++ b/bsd/diff-src -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - foreach x (*.new) - diff -i -w $x $x:r.F >$x:r.diff - if ($status) then -diff --git a/bsd/do-util b/bsd/do-util -index b43b109..8469289 100755 ---- a/bsd/do-util -+++ b/bsd/do-util -@@ -1,4 +1,5 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - mkdir temp - cd temp - gau-fsplit $1/${2}.F -diff --git a/bsd/dom b/bsd/dom -index 4475ad5..92eccc4 100755 ---- a/bsd/dom -+++ b/bsd/dom -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set file = "$1" - shift - set file = "$file:r" -diff --git a/bsd/extract-ghelp b/bsd/extract-ghelp -index a4e5e9e..36e6ba8 100755 ---- a/bsd/extract-ghelp -+++ b/bsd/extract-ghelp -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # This script runs awk to create abstracts of each source file - # containing the information for ghelp. This allows ghelp to -diff --git a/bsd/extract-ghelp-16 b/bsd/extract-ghelp-16 -index 9635d7b..36e6ba8 100755 ---- a/bsd/extract-ghelp-16 -+++ b/bsd/extract-ghelp-16 -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - # - # This script runs awk to create abstracts of each source file - # containing the information for ghelp. This allows ghelp to -diff --git a/bsd/findnew b/bsd/findnew -index bc1d527..2ab83c4 100755 ---- a/bsd/findnew -+++ b/bsd/findnew -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if ("$1" == "") then - set ext = "diffn" - @ docopy = 0 -diff --git a/bsd/findnew1 b/bsd/findnew1 -index 9d42145..70ae61f 100755 ---- a/bsd/findnew1 -+++ b/bsd/findnew1 -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if ("$1" == "") then - set ext = "diff" - else -diff --git a/bsd/fixlib b/bsd/fixlib -index ae7118d..0cd9ad1 100755 ---- a/bsd/fixlib -+++ b/bsd/fixlib -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Fix up a library using lorder. This routine just does a ranlib except - # on the trace because some of the libraries have too many object files -diff --git a/bsd/fixlinda b/bsd/fixlinda -index 233fff1..0a395db 100755 ---- a/bsd/fixlinda -+++ b/bsd/fixlinda -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set x = `pwd` - set y = `basename $x` - if ("$y" != "g16") then -diff --git a/bsd/g16test b/bsd/g16test -index 3967e8e..a7c0808 100755 ---- a/bsd/g16test -+++ b/bsd/g16test -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Script to run G16 from a working directory with - # other executables from the standard places. -diff --git a/bsd/gau-arflags b/bsd/gau-arflags -index 7aba8a4..d268bc0 100755 ---- a/bsd/gau-arflags -+++ b/bsd/gau-arflags -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set x = `gau-machine` - set machflags = "" - set modeflags = "" -diff --git a/bsd/gau-fixexe b/bsd/gau-fixexe -index 2266453..892eec6 100755 ---- a/bsd/gau-fixexe -+++ b/bsd/gau-fixexe -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set gm = "$g16root/g16/bsd/gau-hname" - if (-e $gm) then - set hname = `gau-hname` -diff --git a/bsd/gau-get b/bsd/gau-get -index 29e9e96..4da00b0 100755 ---- a/bsd/gau-get -+++ b/bsd/gau-get -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - @ n = $#argv - 1 - set str = "" - foreach x ($argv[1-$n]) -diff --git a/bsd/gau-hname b/bsd/gau-hname -index c56cc6f..00a422e 100755 ---- a/bsd/gau-hname -+++ b/bsd/gau-hname -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set xname = "$g16root/g16" - if ((-e $xname/ia32p4.flag) || (-e $xname/ia32p3.flag) ) then - set hname = "i386" -diff --git a/bsd/gau-nname b/bsd/gau-nname -index 391f44f..ad7daa7 100755 ---- a/bsd/gau-nname -+++ b/bsd/gau-nname -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if ("$1" == "-") then - set nn = "" - else -diff --git a/bsd/gau-ranlib b/bsd/gau-ranlib -index 79c4eda..5ff56cb 100755 ---- a/bsd/gau-ranlib -+++ b/bsd/gau-ranlib -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Do a ranlib if necessary on this machine. - # -diff --git a/bsd/gau-unlimit b/bsd/gau-unlimit -index 3e7b971..df3c044 100755 ---- a/bsd/gau-unlimit -+++ b/bsd/gau-unlimit -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Do unlimits if this machine allows them. - # -diff --git a/bsd/get-ref b/bsd/get-ref -index 023696c..b6a773f 100755 ---- a/bsd/get-ref -+++ b/bsd/get-ref -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if ($#argv < 1) then - set flist = "mdutil cphfutil putil osutil utilam utilnz" - else -diff --git a/bsd/getx b/bsd/getx -index 4a5d8f8..23691eb 100755 ---- a/bsd/getx -+++ b/bsd/getx -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if ($#argv < 2) then - echo "usage: getx <routines> link" - exit -diff --git a/bsd/gzt b/bsd/gzt -index ffa5fa0..95ad348 100755 ---- a/bsd/gzt -+++ b/bsd/gzt -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - # - # Compress a range of test output files. - # -diff --git a/bsd/install b/bsd/install -index 7b0e589..f5f29af 100755 ---- a/bsd/install -+++ b/bsd/install -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Fix file protections in the g16 directories. - # -diff --git a/bsd/l1.make b/bsd/l1.make -index f041912..585ac3a 100644 ---- a/bsd/l1.make -+++ b/bsd/l1.make -@@ -1,4 +1,4 @@ --SHELL=/bin/csh -+SHELL=/usr/bin/env tcsh - GAU_DIR = $(g16root)/g16 - GAU_DIRL = $(GAU_DIR) - GAU_DIRA = $(GAU_DIR) -diff --git a/bsd/l4x b/bsd/l4x -index a7de578..e58226f 100755 ---- a/bsd/l4x -+++ b/bsd/l4x -@@ -1,4 +1,5 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - setenv GAUSS_LFLAGS '-n 3 -mp 2 -nodelist "brahms bruckner"' - setenv GAUSS_EXEDIR $g98root/g98/linda-exe:$g98root/g98 - setenv LD_LIBRARY_PATH $g98root/g98 -diff --git a/bsd/l9999.make b/bsd/l9999.make -index 643b580..6b317ee 100644 ---- a/bsd/l9999.make -+++ b/bsd/l9999.make -@@ -1,4 +1,4 @@ --SHELL=/bin/csh -+SHELL=/usr/bin/env tcsh - GAU_DIR = $(g16root)/g16 - GAU_DIRL = $(GAU_DIR) - GAU_DIRA = $(GAU_DIR) -diff --git a/bsd/linda-ln b/bsd/linda-ln -index d6f26a2..eb514e6 100755 ---- a/bsd/linda-ln -+++ b/bsd/linda-ln -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Make soft links to the dummy linda link and to each each real one. - # -diff --git a/bsd/linda-lnx b/bsd/linda-lnx -index 15ab0d0..65824be 100755 ---- a/bsd/linda-lnx -+++ b/bsd/linda-lnx -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Make soft links to the dummy linda link and to each each real one. - # -diff --git a/bsd/link.make b/bsd/link.make -index 540903d..dfbeb4b 100644 ---- a/bsd/link.make -+++ b/bsd/link.make -@@ -1,4 +1,4 @@ --SHELL=/bin/csh -+SHELL=/usr/bin/env tcsh - GAU_DIR = $(g16root)/g16 - GAU_DIRL = $(GAU_DIR) - GAU_DIRA = $(GAU_DIR) -diff --git a/bsd/lx-working b/bsd/lx-working -index 5b9315d..e07e01d 100755 ---- a/bsd/lx-working -+++ b/bsd/lx-working -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - foreach x ($argv) - ln -s /$workbase/1/frisch/working/$x:r.{com,log} . - end -diff --git a/bsd/lxi-working b/bsd/lxi-working -index 7b08887..1adce2f 100755 ---- a/bsd/lxi-working -+++ b/bsd/lxi-working -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - set m = "`gau-machine`" - if ($m == "sgi") then - set ext = ".sgi" -diff --git a/bsd/make-edir b/bsd/make-edir -index 7fb8a35..01afb73 100755 ---- a/bsd/make-edir -+++ b/bsd/make-edir -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # usage: make-edir - # -diff --git a/bsd/make-ldir b/bsd/make-ldir -index 944b35e..59acb95 100755 ---- a/bsd/make-ldir -+++ b/bsd/make-ldir -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # usage: make-ldir links - # -diff --git a/bsd/make-nutill b/bsd/make-nutill -index 016cb34..c5b8ac3 100755 ---- a/bsd/make-nutill -+++ b/bsd/make-nutill -@@ -1,4 +1,5 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - rm -fr nutill - mkdir nutill - cd nutil -diff --git a/bsd/makeutilcd b/bsd/makeutilcd -index 6ea4228..9fa264c 100755 ---- a/bsd/makeutilcd -+++ b/bsd/makeutilcd -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - # - # Should be in cds directory, then - # -diff --git a/bsd/mkt b/bsd/mkt -index 976efa2..bf7eeb2 100755 ---- a/bsd/mkt -+++ b/bsd/mkt -@@ -1,4 +1,5 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - if (! (-d $1)) then - echo "no directory $1" - exit -diff --git a/bsd/mkunixcd b/bsd/mkunixcd -index 6503593..15995ce 100755 ---- a/bsd/mkunixcd -+++ b/bsd/mkunixcd -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - if ($#argv <2) then - echo "usage: mkisofs target-file source-directories" - exit -diff --git a/bsd/movemerged b/bsd/movemerged -index 45fa619..538b4ed 100755 ---- a/bsd/movemerged -+++ b/bsd/movemerged -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if ($#argv < 2) then - set dir = "../nutil" - else -diff --git a/bsd/rdmat-ext b/bsd/rdmat-ext -index 59e62d0..713046b 100755 ---- a/bsd/rdmat-ext -+++ b/bsd/rdmat-ext -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - @ savefiles = 0 - @ dumpfiles = 1 - @ narg = 0 -diff --git a/bsd/ren b/bsd/ren -index 60171eb..2862edb 100755 ---- a/bsd/ren -+++ b/bsd/ren -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Rename a list of files to a new extension. - # -diff --git a/bsd/rfhello b/bsd/rfhello -index fb31adf..9ce5b94 100755 ---- a/bsd/rfhello -+++ b/bsd/rfhello -@@ -1,4 +1,5 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - set host = `hostname` - if ("$1" == "") then - @ n = 8 -diff --git a/bsd/rs6k.make b/bsd/rs6k.make -index 09f3e0c..259812b 100644 ---- a/bsd/rs6k.make -+++ b/bsd/rs6k.make -@@ -1,4 +1,5 @@ --#SHELL=/bin/csh -xf -+#SHELL=/usr/bin/env tcsh -+set echo - # - # Makefile for Gaussian 16. - # -diff --git a/bsd/save-working b/bsd/save-working -index c0e67d0..db78b18 100755 ---- a/bsd/save-working -+++ b/bsd/save-working -@@ -1,4 +1,4 @@ --#!/bin/csh -x -+#!/usr/bin/env tcsh -x - if (-e save.num) then - @ n = `cat save.num` + 1 - else -diff --git a/bsd/set-mflags b/bsd/set-mflags -index ea3523a..6505c17 100755 ---- a/bsd/set-mflags -+++ b/bsd/set-mflags -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # echo the appropriate flags for make (no arguments) or the make command (1 argument). - # -diff --git a/bsd/setcdef b/bsd/setcdef -index b9142e4..c985e0b 100755 ---- a/bsd/setcdef -+++ b/bsd/setcdef -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # return a string for the GAUSS_CDEF environment variable - # -diff --git a/bsd/setup-linda b/bsd/setup-linda -index de9e996..c8ef8fd 100755 ---- a/bsd/setup-linda -+++ b/bsd/setup-linda -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - cd linda7.1 - common/bin/install_pkg - cd .. -diff --git a/bsd/ssrunx b/bsd/ssrunx -index 34a80ff..b211151 100755 ---- a/bsd/ssrunx -+++ b/bsd/ssrunx -@@ -1,4 +1,5 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - set x = "`gau-machine`" - set n = "`basename $0`" - set d = "$n:r" -diff --git a/bsd/ssruny b/bsd/ssruny -index e96f64f..e82c4c0 100755 ---- a/bsd/ssruny -+++ b/bsd/ssruny -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set x = "`gau-machine`" - set n = "`basename $0`" - set d = "$n:r" -diff --git a/bsd/subg16 b/bsd/subg16 -index fd2fab6..66dbc1b 100755 ---- a/bsd/subg16 -+++ b/bsd/subg16 -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Submit a Gaussian 16 job to an nqs batch queue. - # -@@ -12,7 +12,7 @@ - # Generate script, explicitly requesting the csh. - # - cat <<END >$2.job --#!/bin/csh -+#!/usr/bin/env tcsh - cd \$QSUB_WORKDIR - source $g16root/g16/bsd/gau-unlimit - g16 <$2.com >&$2.log -diff --git a/bsd/sumcpu b/bsd/sumcpu -index 4d8c823..93e015d 100755 ---- a/bsd/sumcpu -+++ b/bsd/sumcpu -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # sum cpu usage - # -diff --git a/bsd/tbzip b/bsd/tbzip -index 78e5bce..8b28598 100755 ---- a/bsd/tbzip -+++ b/bsd/tbzip -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - foreach x ($argv) - bzip2 -9 -v $x:r.tar - mv $x:r.tar.bz2 $x:r.tbz -diff --git a/bsd/test-times b/bsd/test-times -index be04ce1..6c44242 100755 ---- a/bsd/test-times -+++ b/bsd/test-times -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set h = `grep days $argv | count 7` - set m = `grep days $argv | count 9` - set s = `grep days $argv | count 11` -diff --git a/bsd/testl1 b/bsd/testl1 -index 3901f2f..4ac7a37 100755 ---- a/bsd/testl1 -+++ b/bsd/testl1 -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Test a new version of link 1. The new version is assumed to be - # l1/testrt. If arguments are provided, they are used as the route; -diff --git a/bsd/testunf b/bsd/testunf -index c3ae429..142c0ca 100755 ---- a/bsd/testunf -+++ b/bsd/testunf -@@ -1,3 +1,4 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - echo "argv is $argv" - cp $1 $7 -diff --git a/bsd/tgzip b/bsd/tgzip -index 90b27c1..e7051d8 100755 ---- a/bsd/tgzip -+++ b/bsd/tgzip -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - foreach x ($argv) - gzip -9 -v $x:r.tar - mv $x:r.tar.gz $x:r.tgz -diff --git a/bsd/tree.make b/bsd/tree.make -index e22451b..91e76ce 100644 ---- a/bsd/tree.make -+++ b/bsd/tree.make -@@ -5,7 +5,7 @@ - GAU_DIR = $(g16root)/g16 - GAU_DIRL = $(GAU_DIR) - --SHELL = /bin/csh -+SHELL = /usr/bin/env tcsh - UTIL_NAME = util.a - GAU_DIRA = $(GAU_DIR) - -diff --git a/bsd/txzip b/bsd/txzip -index 23a6a1b..a9248ff 100755 ---- a/bsd/txzip -+++ b/bsd/txzip -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - if (("$1" == "j") || ("$1" == "J")) then - set ext = "tbJ" - shift -diff --git a/bsd/tzzip b/bsd/tzzip -index a86a4b8..9a2f462 100755 ---- a/bsd/tzzip -+++ b/bsd/tzzip -@@ -1,4 +1,4 @@ --#!/bin/csh -+#!/usr/bin/env tcsh - foreach x ($argv) - xz -9 -v $x:r.tar - mv $x:r.tar.bz2 $x:r.tbz -diff --git a/bsd/upd b/bsd/upd -index d6017b3..00ca77f 100755 ---- a/bsd/upd -+++ b/bsd/upd -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Update a link for which the specified routines have been changed. - # -diff --git a/bsd/upd-util b/bsd/upd-util -index 7d007ea..c16b082 100755 ---- a/bsd/upd-util -+++ b/bsd/upd-util -@@ -1,4 +1,5 @@ --#!/bin/csh -fx -+#!/usr/bin/env tcsh -+set echo - mkdir temp - cd temp - foreach x ($argv) -diff --git a/bsd/updatelink b/bsd/updatelink -index 7cc99ee..6399d53 100755 ---- a/bsd/updatelink -+++ b/bsd/updatelink -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Update a link library with the specified source files. - # -diff --git a/bsd/updatelink1 b/bsd/updatelink1 -index 906e3aa..962dd59 100755 ---- a/bsd/updatelink1 -+++ b/bsd/updatelink1 -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - # - # Update a link library with the specified source files. - # -diff --git a/bsd/x86type b/bsd/x86type -index 9ead8f3..7ef1ebe 100755 ---- a/bsd/x86type -+++ b/bsd/x86type -@@ -1,4 +1,4 @@ --#!/bin/csh -f -+#!/usr/bin/env tcsh - set type = "amd" - set list = "sse4" - if (-e /proc/cpuinfo) then --- -2.26.2 - diff --git a/var/spack/repos/builtin/packages/gaussian-src/16-C.01-replace-deprecated-pgf77-with-pgfortran.patch b/var/spack/repos/builtin/packages/gaussian-src/16-C.01-replace-deprecated-pgf77-with-pgfortran.patch deleted file mode 100644 index 49e40693d7..0000000000 --- a/var/spack/repos/builtin/packages/gaussian-src/16-C.01-replace-deprecated-pgf77-with-pgfortran.patch +++ /dev/null @@ -1,146 +0,0 @@ -From 6774eb8f9743977d7b3f52ea877c2c0ed6bc45f5 Mon Sep 17 00:00:00 2001 -From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch> -Date: Tue, 6 Oct 2020 17:47:26 +0200 -Subject: [PATCH 3/5] replace deprecated pgf77 with pgfortran - ---- - bsd/i386.make | 2 +- - bsd/l1.make | 2 +- - bsd/l9999.make | 2 +- - bsd/link.make | 2 +- - bsd/setup-make | 18 +++++++++--------- - bsd/tree.make | 4 ++-- - 6 files changed, 15 insertions(+), 15 deletions(-) - -diff --git a/bsd/i386.make b/bsd/i386.make -index c9cf696..759ed84 100644 ---- a/bsd/i386.make -+++ b/bsd/i386.make -@@ -138,7 +138,7 @@ I8FLAG = - R8FLAG = - MMODEL = - PGISTATIC = -Bstatic_pgi --PGNAME = pgf77 -+PGNAME = pgfortran - GPUFLAG = $(GPUFLAG1) $(GPUFLAG2) $(GPUFLAG3) - RUNF77 = $(PGNAME) $(PGISTATIC) $(I8FLAG) $(R8FLAG) $(MMODEL) $(DEBUGF) $(SPECFLAG) $(GPUFLAG) - F2CLIB = -diff --git a/bsd/l1.make b/bsd/l1.make -index fe9897f..f041912 100644 ---- a/bsd/l1.make -+++ b/bsd/l1.make -@@ -16,7 +16,7 @@ SUN_FC = f95 -fast -xtypemap=real:64,double:64,integer:64 -xtarget=native -xarch - ALP_FC = f90 -O5 -transform_loops -omp -automatic -i8 -r8 -align dcommons \ - -tune host -trapuv -assume noaccuracy_sensitive -math_library fast \ - -reentrancy threaded --LIN_FC = pgf77 -mp -Mnostdlib -+LIN_FC = pgfortran -mp -Mnostdlib - PGILIBS = $(PGI)/linux86/lib/libpgthread.a $(PGI)/linux86/lib/libpgc.a $(PGI)/linux86/lib/libpgftnrtl.a $(PGI)/linux86/lib/libpgc.a $(PGI)/linux86/lib/libpgmp.a $(PGI)/linux86/lib/libpgc.a - LIN_FC2 = /usr/local/lib/libf77blas.a /usr/local/lib/libatlas.a $(PGILIBS) - CRY_FC = f90 -diff --git a/bsd/l9999.make b/bsd/l9999.make -index 2c59b37..643b580 100644 ---- a/bsd/l9999.make -+++ b/bsd/l9999.make -@@ -16,7 +16,7 @@ SUN_FC = f95 -fast -xtypemap=real:64,double:64,integer:64 -xtarget=native -xarch - ALP_FC = f90 -O5 -transform_loops -omp -automatic -i8 -r8 -align dcommons \ - -tune host -trapuv -assume noaccuracy_sensitive -math_library fast \ - -reentrancy threaded --LIN_FC = pgf77 -mp -Mnostdlib -+LIN_FC = pgfortran -mp -Mnostdlib - PGILIBS = $(PGI)/linux86/lib/libpgthread.a $(PGI)/linux86/lib/libpgc.a $(PGI)/linux86/lib/libpgftnrtl.a $(PGI)/linux86/lib/libpgc.a $(PGI)/linux86/lib/libpgmp.a $(PGI)/linux86/lib/libpgc.a - LIN_FC2 = /usr/local/lib/libf77blas.a /usr/local/lib/libatlas.a $(PGILIBS) - CRY_FC = f90 -diff --git a/bsd/link.make b/bsd/link.make -index 40cbd06..540903d 100644 ---- a/bsd/link.make -+++ b/bsd/link.make -@@ -16,7 +16,7 @@ SUN_FC = f95 -fast -xtypemap=real:64,double:64,integer:64 -xtarget=native -xarch - ALP_FC = f90 -O5 -transform_loops -omp -automatic -i8 -r8 -align dcommons \ - -tune host -trapuv -assume noaccuracy_sensitive -math_library fast \ - -reentrancy threaded --LIN_FC = pgf77 -mp -Mnostdlib -+LIN_FC = pgfortran -mp -Mnostdlib - PGILIBS = $(PGI)/linux86/lib/libpgthread.a $(PGI)/linux86/lib/libpgc.a $(PGI)/linux86/lib/libpgftnrtl.a $(PGI)/linux86/lib/libpgc.a $(PGI)/linux86/lib/libpgmp.a $(PGI)/linux86/lib/libpgc.a - LIN_FC2 = /usr/local/lib/libf77blas.a /usr/local/lib/libatlas.a $(PGILIBS) - CRY_FC = f90 -diff --git a/bsd/setup-make b/bsd/setup-make -index 7759da2..1a497dd 100644 ---- a/bsd/setup-make -+++ b/bsd/setup-make -@@ -34,7 +34,7 @@ else if (-e $xname/kepler.flag) then - set acclib = "-Mcudalib=cublas" - set acclib1 = "" - else -- set pgname = "pgf77" -+ set pgname = "pgfortran" - set accopt = "" - set accflag = "" - set acclib = "" -@@ -88,16 +88,16 @@ else if (("$mach" == "i386") || ("$mach" == "amd64") || ("$mach" == "em64t") || - set xutilname = "util" - if (-e $xname/ia32p3.flag) then - set xutilname = "$xutilname,bsd/libf77blas-ia32,bsd/libatlas-ia32" -- set fcname = "FCN='pgf77 -Bstatic_pgi'" -+ set fcname = "FCN='pgfortran -Bstatic_pgi'" - set blas = "BLAS='' MACHTY=p6" - set fcflag = "FC='-mp=nonuma -tp p6'" -- set lfort = "pgf77 -Bstatic_pgi -tp p6 -mp=nonuma" -+ set lfort = "pgfortran -Bstatic_pgi -tp p6 -mp=nonuma" - else if ("$mach" == "i386") then - set xutilname = "$xutilname,bsd/libf77blas-ia32,bsd/libatlas-ia32" -- set fcname = "FCN='pgf77 -Bstatic_pgi'" -+ set fcname = "FCN='pgfortran -Bstatic_pgi'" - set blas = "BLAS='' " - set fcflag = "FC='-mp=nonuma -fastsse -tp p7-32'" -- set lfort = "pgf77 -Bstatic_pgi -fastsse -tp p7-32 -mp=nonuma" -+ set lfort = "pgfortran -Bstatic_pgi -fastsse -tp p7-32 -mp=nonuma" - else if ("$mach" == "amd64") then - set fcname = "FCN='" - set fcname = "$fcname$pgname -Bstatic_pgi'" -@@ -142,16 +142,16 @@ else if (("$mach" == "i386") || ("$mach" == "amd64") || ("$mach" == "em64t") || - endif - else if ("$mach" == "i386-mac64") then - set xutilname = "$xutilname,bsd/libf77blas-imac64,bsd/libatlas-imac64" -- set fcname = "FCN='pgf77'" -+ set fcname = "FCN='pgfortran'" - set fcflag = "FC='-Wl,-u -Wl,_drum_ -mp -tp p7-64 -i8 -r8'" - set blas = "BLAS='' MACHTY=p7-64 GAULIBU=util.a PGISTATIC= LINK1='-Wl,-u' LINK2='-Wl,_drum_' EXTCFLAGS=-D_FORTIFY_SOURCE=0 I8FLAG=-i8 R8FLAG=-r8 OPTOI=-m64 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 NJSEC=-DDEFJSEC=512" -- set lfort = "pgf77 -Wl,-u -Wl,_drum_ -mp -tp p7-64 -i8 -r8" -+ set lfort = "pgfortran -Wl,-u -Wl,_drum_ -mp -tp p7-64 -i8 -r8" - else if ("$mach" == "i386-mac32") then - set xutilname = "$xutilname,bsd/libf77blas-imac32,bsd/libatlas-imac32" -- set fcname = "FCN='pgf77'" -+ set fcname = "FCN='pgfortran'" - set fcflag = "FC='-Wl,-u -Wl,_drum_ -mp -tp p7-32'" - set blas = "BLAS='' MACHTY=p7-32 GAULIBU=util.a PGISTATIC= LINK1='-Wl,-u' LINK2='-Wl,_drum_' EXTCFLAGS=-D_FORTIFY_SOURCE=0 I8FLAG= R8FLAG=-r8 OPTOI=-m32" -- set lfort = "pgf77 -Wl,-u -Wl,_drum_ -mp -tp p7-32" -+ set lfort = "pgfortran -Wl,-u -Wl,_drum_ -mp -tp p7-32" - setenv LINDA_CC 'cc -m32' - else - echo "logic failure in setup-make" -diff --git a/bsd/tree.make b/bsd/tree.make -index e504f38..e22451b 100644 ---- a/bsd/tree.make -+++ b/bsd/tree.make -@@ -17,7 +17,7 @@ SGI_FC = f77 -w -i8 -r8 -r8const -mips4 -64 -mp -r10000 -align64 -trapuv - SGI_FC2 = -lcomplib.sgimath_mp -lfastm - SUN_FC = fc - ALP_FC = f90 -omp -automatic -O -i8 -r8 -align dcommons -threads --LIN_FC = pgf77 -mp -+LIN_FC = pgfortran -mp - LIN_FC2 = -llapack /usr/local/lib/blas-opt.a /usr/local/lib/blas-f2c.a - CRY_FC = f90 - CRY_FC2 = -Wl"-M /dev/null -D DUPENTRY=NOTE -D FORCE=OFF -f indef" -@@ -31,7 +31,7 @@ NUTIL = ../nutil/*.o ../nutil/*.qo - NUTILL = ../nutill/*.lo ../nutill/*.o ../nutill/*.qo - NUTILX = nutil/*.o nutil/*.qo - else --PGNAME = pgf77 -+PGNAME = pgfortran - NUTIL = ../nutil/*.o - NUTILL = ../nutill/*.lo ../nutill/*.o - NUTILX = nutil/*.o --- -2.26.2 - diff --git a/var/spack/repos/builtin/packages/gaussian-src/package.py b/var/spack/repos/builtin/packages/gaussian-src/package.py deleted file mode 100644 index 8f34198a81..0000000000 --- a/var/spack/repos/builtin/packages/gaussian-src/package.py +++ /dev/null @@ -1,160 +0,0 @@ -# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other -# Spack Project Developers. See the top-level COPYRIGHT file for details. -# -# SPDX-License-Identifier: (Apache-2.0 OR MIT) -import glob -import os - -import llnl.util.tty as tty - -from spack.package import * - - -class GaussianSrc(Package): - """Gaussian is a computer program for computational chemistry. - - This Spack package builds Gaussian from source. - - Needs post-install steps to make it run! - See package installation log for details.""" - - homepage = "http://www.gaussian.com/" - manual_download = True - - maintainers("dev-zero") - - version("16-C.01", sha256="c9eb73a9df5ca8705fcf2d7ce2d5f9aceb05ae663689f54c0a581c9d4d44fffb") - - depends_on("tcsh", type="build") - - # All compilers except for pgi are in conflict: - requires("%pgi", msg="Gaussian can only be built with the PGI compiler") - - patch("16-C.01-replace-deprecated-pgf77-with-pgfortran.patch", when="@16-C.01") - patch("16-C.01-fix-building-c-code-with-pgcc.patch", when="@16-C.01") - patch("16-C.01-fix-shebangs.patch", when="@16-C.01") - - @property - def g_name(self): - return "g{0}".format(self.version.up_to(1)) - - @property - def g_root(self): - return self.prefix.join(self.g_name) - - def url_for_version(self, version): - return "file://{0}/g{1}.tgz".format(os.getcwd(), version) - - def install(self, spec, prefix): - # Spacks strips the single dir inside the tarball, but Gaussian - # needs it -> move them back - files = os.listdir() - mkdirp(self.g_name) - for f in files: - os.rename(f, join_path(self.g_name, f)) - - opts = ["all"] - # if spec.satisfies('+cuda'): - # opts += [spec.variants['cuda_family'].value] - - with working_dir(self.g_name): - # can only build with tcsh - tcsh = which("tcsh") - tcsh( - "-c", - "source ${0}root/{0}/bsd/{0}.login ;" - "./bsd/bld{0} {1}".format(self.g_name, " ".join(opts)), - ) - - install_tree("./bsd", self.g_root.bsd) - install_tree("./basis", self.g_root.basis) - install_tree("./doc", self.g_root.doc) - - for exe in glob.glob("*.exe"): - install(exe, self.g_root) - - exes = [ - self.g_name, - "gauopt", - "gauoptl", - "ghelp", - "newzmat", - "testrt", - "cubegen", - "cubman", - "c8616", - "ham506", - "rwfdump", - "freqchk", - "freqmem", - "formchk", - "demofc", - "chkchk", - "solname", - "gautraj", - "copychk", - "pluck", - "rdmat", - "wrmat", - "unfchk", - "gdrgen", - "trajgen", - "mm", - "grate", - ] - for exe in exes: - install(exe, self.g_root) - - @run_after("install") - def caveats(self): - perm_script = "spack_perms_fix.sh" - perm_script_path = join_path(self.spec.prefix, perm_script) - with open(perm_script_path, "w") as f: - env = spack.tengine.make_environment(dirs=self.package_dir) - t = env.get_template(perm_script + ".j2") - f.write(t.render({"prefix": self.g_root})) - chmod = which("chmod") - chmod("0555", perm_script_path) - - tty.warn( - """ -For a working Gaussian installation, all executable files can only be accessible by -the owner and the group but not the world. - -We've installed a script that will make the necessary changes; -read through it and then execute it: - - {0} - -If you have to give others access, please customize the group membership of the package -files as documented here: - - https://spack.readthedocs.io/en/latest/packages_yaml.html#package-permissions""".format( - perm_script_path - ) - ) - - def setup_build_environment(self, env): - env.set("{0}root".format(self.g_name), self.stage.source_path) - - def setup_run_environment(self, env): - # defaults taken from G16's g16.profile - env.set("GAUSS_LFLAGS2", "--LindaOptions -s 10000000") - env.set("_DSM_BARRIER", "SHM") - env.set("PGI_TERM", "trace,abort") - - env.set("{0}root".format(self.g_name), self.prefix) - - env.prepend_path("GAUSS_EXEDIR", self.g_root) - env.prepend_path("GAUSS_EXEDIR", self.g_root.bsd) - - env.prepend_path("PATH", self.g_root) - env.prepend_path("PATH", self.g_root.bsd) - - env.set("GAUSS_LEXEDIR", self.g_root.join("linda-exe")) - env.set("GAUSS_ARCHDIR", self.g_root.arch) - env.set("GAUSS_BSDDIR", self.g_root.bsd) - env.set("G{0}BASIS".format(self.version.up_to(1)), self.g_root.basis) - - env.prepend_path("LD_LIBRARY_PATH", self.g_root) - env.prepend_path("LD_LIBRARY_PATH", self.g_root.bsd) diff --git a/var/spack/repos/builtin/packages/gaussian-src/spack_perms_fix.sh.j2 b/var/spack/repos/builtin/packages/gaussian-src/spack_perms_fix.sh.j2 deleted file mode 100644 index 889ab7fbc2..0000000000 --- a/var/spack/repos/builtin/packages/gaussian-src/spack_perms_fix.sh.j2 +++ /dev/null @@ -1,3 +0,0 @@ -#!/bin/sh -eu - -chmod o-rwx "{{ prefix }}"/* diff --git a/var/spack/repos/builtin/packages/gaussian-view/package.py b/var/spack/repos/builtin/packages/gaussian-view/package.py index 985de8e049..eec0877b57 100644 --- a/var/spack/repos/builtin/packages/gaussian-view/package.py +++ b/var/spack/repos/builtin/packages/gaussian-view/package.py @@ -38,18 +38,7 @@ class GaussianView(Package): extension="tbz", ) - variant( - "gaussian-src", - default=False, - description="Use gaussian-src instead of gaussian (prebuilt binary)", - ) - depends_on("gaussian@16-B.01", type="run", when="@:6.0") - # TODO: add the checksum for gaussian@16-C.01 before uncommenting - # depends_on('gaussian@16-C.01', type='run', when='~gaussian-src@6.1:') - depends_on("gaussian-src@16-C.01", type="run", when="+gaussian-src@6.1:") - - conflicts("+gaussian-src", when="@:6.0") depends_on("libx11", type=("run", "link")) depends_on("libxext", type=("run", "link")) diff --git a/var/spack/repos/builtin/packages/harfbuzz/package.py b/var/spack/repos/builtin/packages/harfbuzz/package.py index b4d436f4ce..0a22bb9997 100644 --- a/var/spack/repos/builtin/packages/harfbuzz/package.py +++ b/var/spack/repos/builtin/packages/harfbuzz/package.py @@ -120,9 +120,9 @@ class Harfbuzz(MesonPackage, AutotoolsPackage): if name == "cxxflags": flags.append(self.compiler.cxx11_flag) if name == "cflags": - if "%pgi" not in self.spec and self.spec.satisfies("%gcc@:5.1"): + if self.spec.satisfies("%gcc@:5.1"): flags.append("-std=gnu99") - return (None, None, flags) + return None, None, flags def setup_run_environment(self, env): env.prepend_path("GI_TYPELIB_PATH", join_path(self.prefix.lib, "girepository-1.0")) diff --git a/var/spack/repos/builtin/packages/libpciaccess/package.py b/var/spack/repos/builtin/packages/libpciaccess/package.py index 6cab9031dd..922af5e899 100644 --- a/var/spack/repos/builtin/packages/libpciaccess/package.py +++ b/var/spack/repos/builtin/packages/libpciaccess/package.py @@ -26,15 +26,6 @@ class Libpciaccess(AutotoolsPackage, XorgPackage): 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 - # https://gitlab.freedesktop.org/xorg/lib/libpciaccess/issues/7 - # - # When the ability to use dependencies built by another compiler, using a - # libpciaccess built by gcc should be usable by PGI builds. - conflicts("%pgi") - conflicts("platform=darwin") def configure_args(self): diff --git a/var/spack/repos/builtin/packages/libquo/package.py b/var/spack/repos/builtin/packages/libquo/package.py index 099dcf0ec5..efaa0da76f 100644 --- a/var/spack/repos/builtin/packages/libquo/package.py +++ b/var/spack/repos/builtin/packages/libquo/package.py @@ -43,11 +43,4 @@ class Libquo(AutotoolsPackage): bash("./autogen") def configure_args(self): - config_args = [ - "CC={0}".format(self.spec["mpi"].mpicc), - "FC={0}".format(self.spec["mpi"].mpifc), - ] - if self.spec.satisfies("%pgi"): - config_args.append("CFLAGS={0}".format(self.compiler.cc_pic_flag)) - config_args.append("FCFLAGS={0}".format(self.compiler.fc_pic_flag)) - return config_args + return [f"CC={self.spec['mpi'].mpicc}", f"FC={self.spec['mpi'].mpifc}"] diff --git a/var/spack/repos/builtin/packages/maverick/package.py b/var/spack/repos/builtin/packages/maverick/package.py index bce42ca490..7936a61bd3 100644 --- a/var/spack/repos/builtin/packages/maverick/package.py +++ b/var/spack/repos/builtin/packages/maverick/package.py @@ -24,7 +24,6 @@ class Maverick(MakefilePackage): conflicts("%clang") conflicts("%intel") conflicts("%nag") - conflicts("%pgi") conflicts("%xl") conflicts("%xl_r") diff --git a/var/spack/repos/builtin/packages/minighost/package.py b/var/spack/repos/builtin/packages/minighost/package.py index d894a8a554..5702a681ac 100644 --- a/var/spack/repos/builtin/packages/minighost/package.py +++ b/var/spack/repos/builtin/packages/minighost/package.py @@ -51,8 +51,6 @@ class Minighost(MakefilePackage): targets.append("COMPILER_SUITE=cray") elif "%intel" in self.spec: targets.append("COMPILER_SUITE=intel") - elif "%pgi" in self.spec: - targets.append("COMPILER_SUITE=pgi") return targets diff --git a/var/spack/repos/builtin/packages/mpas-model/package.py b/var/spack/repos/builtin/packages/mpas-model/package.py index 7b738f2d76..927026ddf9 100644 --- a/var/spack/repos/builtin/packages/mpas-model/package.py +++ b/var/spack/repos/builtin/packages/mpas-model/package.py @@ -35,9 +35,6 @@ class MpasModel(MakefilePackage): "xlf", "ftn", "titan-cray", - "pgi", - "pgi-nersc", - "pgi-llnl", "ifort", "ifort-scorep", "ifort-gcc", diff --git a/var/spack/repos/builtin/packages/mumps/package.py b/var/spack/repos/builtin/packages/mumps/package.py index d6a4434852..0b33b6fa0e 100644 --- a/var/spack/repos/builtin/packages/mumps/package.py +++ b/var/spack/repos/builtin/packages/mumps/package.py @@ -174,7 +174,6 @@ 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_oneapi = self.compiler.name == "oneapi" @@ -287,7 +286,7 @@ 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_oneapi or using_pgi or using_nvhpc or using_fj: + if using_intel or using_oneapi 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/nekcem/package.py b/var/spack/repos/builtin/packages/nekcem/package.py index 51b8cc0b52..d345438332 100644 --- a/var/spack/repos/builtin/packages/nekcem/package.py +++ b/var/spack/repos/builtin/packages/nekcem/package.py @@ -84,9 +84,6 @@ class Nekcem(Package): elif self.compiler.name == "xl" or self.compiler.name == "xl_r": fflags += ["-qrealsize=8"] cflags += ["-DPREFIX=jl_", "-DIBM"] - elif self.compiler.name == "pgi": - fflags += ["-r8"] - cflags += ["-DUNDERSCORE"] error = Executable(fc)("empty.f", output=str, error=str, fail_on_error=False) diff --git a/var/spack/repos/builtin/packages/nlohmann-json/package.py b/var/spack/repos/builtin/packages/nlohmann-json/package.py index d0003219c6..cb8980f8a7 100644 --- a/var/spack/repos/builtin/packages/nlohmann-json/package.py +++ b/var/spack/repos/builtin/packages/nlohmann-json/package.py @@ -52,7 +52,6 @@ class NlohmannJson(CMakePackage): # https://github.com/nlohmann/json/releases/tag/v3.3.0 conflicts("%gcc@:4.8", when="@:3.2.9") conflicts("%intel@:16") - conflicts("%pgi@:14") def cmake_args(self): return [ diff --git a/var/spack/repos/builtin/packages/numactl/package.py b/var/spack/repos/builtin/packages/numactl/package.py index cde391471c..6930f3f4f7 100644 --- a/var/spack/repos/builtin/packages/numactl/package.py +++ b/var/spack/repos/builtin/packages/numactl/package.py @@ -50,13 +50,6 @@ class Numactl(AutotoolsPackage): @when("%nvhpc") def patch(self): - self._nvhpc_patch() - - @when("%pgi@20:") - def patch(self): - self._nvhpc_patch() - - def _nvhpc_patch(self): # Remove flags not recognized by the NVIDIA compiler filter_file("-ffast-math -funroll-loops", "", "Makefile.am") filter_file("-std=gnu99", "-c99", "Makefile.am") diff --git a/var/spack/repos/builtin/packages/nut/package.py b/var/spack/repos/builtin/packages/nut/package.py index 4d00edcbb3..7c9a162f65 100644 --- a/var/spack/repos/builtin/packages/nut/package.py +++ b/var/spack/repos/builtin/packages/nut/package.py @@ -32,7 +32,6 @@ class Nut(CMakePackage): # which is a C++ template library conflicts("%nvhpc") conflicts("%intel", when="@serial") - conflicts("%pgi", when="@serial") conflicts("%xl", when="@serial") conflicts("%nag", when="@serial") build_targets = ["VERBOSE=on"] diff --git a/var/spack/repos/builtin/packages/openmpi/package.py b/var/spack/repos/builtin/packages/openmpi/package.py index 4251569072..75d09bbc64 100644 --- a/var/spack/repos/builtin/packages/openmpi/package.py +++ b/var/spack/repos/builtin/packages/openmpi/package.py @@ -1162,13 +1162,6 @@ with '-Wl,-commons,use_dylibs' and without if spec.satisfies("@1.7.2"): # There was a bug in 1.7.2 when --enable-static is used config_args.append("--enable-mca-no-build=pml-bfo") - if spec.satisfies("%pgi^cuda@7.0:7"): - # OpenMPI has problems with CUDA 7 and PGI - config_args.append("--with-wrapper-cflags=-D__LP64__ -ta:tesla") - if spec.satisfies("%pgi@:15.8"): - # With PGI 15.9 and later compilers, the - # CFLAGS=-D__LP64__ is no longer needed. - config_args.append("CFLAGS=-D__LP64__") elif spec.satisfies("@1.7:"): config_args.append("--without-cuda") diff --git a/var/spack/repos/builtin/packages/p3dfft3/package.py b/var/spack/repos/builtin/packages/p3dfft3/package.py index 11427f1f8e..8ce6d33e4e 100644 --- a/var/spack/repos/builtin/packages/p3dfft3/package.py +++ b/var/spack/repos/builtin/packages/p3dfft3/package.py @@ -64,9 +64,6 @@ class P3dfft3(AutotoolsPackage): if "%cce" in self.spec: args.append("--enable-cray") - if "%pgi" in self.spec: - args.append("--enable-pgi") - if "+mpi" in self.spec: args.append("CC=%s" % self.spec["mpi"].mpicc) args.append("CXX=%s" % self.spec["mpi"].mpicxx) diff --git a/var/spack/repos/builtin/packages/parmetis/package.py b/var/spack/repos/builtin/packages/parmetis/package.py index c18d61e798..f9e2754eb5 100644 --- a/var/spack/repos/builtin/packages/parmetis/package.py +++ b/var/spack/repos/builtin/packages/parmetis/package.py @@ -40,13 +40,6 @@ class Parmetis(CMakePackage): # https://bitbucket.org/petsc/pkg-parmetis/commits/82409d68aa1d6cbc70740d0f35024aae17f7d5cb/raw/ patch("pkg-parmetis-82409d68aa1d6cbc70740d0f35024aae17f7d5cb.patch") - def flag_handler(self, name, flags): - if name == "cflags": - if "%pgi" in self.spec: - my_flags = flags + ["-c11"] - return (None, None, my_flags) - return (None, None, flags) - def url_for_version(self, version): url = "http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis" if version < Version("3.2.0"): diff --git a/var/spack/repos/builtin/packages/pdt/package.py b/var/spack/repos/builtin/packages/pdt/package.py index 41a0d02a9f..d4784cb6ed 100644 --- a/var/spack/repos/builtin/packages/pdt/package.py +++ b/var/spack/repos/builtin/packages/pdt/package.py @@ -60,8 +60,6 @@ class Pdt(AutotoolsPackage): options.append("-icpx") else: options.append("-icpc") - elif self.compiler.name == "pgi": - options.append("-pgCC") elif self.compiler.name == "gcc": options.append("-GNU") elif self.compiler.name in ["clang", "apple-clang", "aocc"]: diff --git a/var/spack/repos/builtin/packages/pennant/package.py b/var/spack/repos/builtin/packages/pennant/package.py index eb5fd1b8d6..a903e0e6e7 100644 --- a/var/spack/repos/builtin/packages/pennant/package.py +++ b/var/spack/repos/builtin/packages/pennant/package.py @@ -40,8 +40,6 @@ class Pennant(MakefilePackage): if self.compiler.name == "intel": opt += " -fast -fno-alias" - if self.compiler.name == "pgi": - opt += " -fastsse" makefile.filter("CXXFLAGS_DEBUG .*", "CXXFLAGS_DEBUG := {0}".format(debug)) makefile.filter("CXXFLAGS_OPT .*", "CXXFLAGS_OPT := {0}".format(opt)) diff --git a/var/spack/repos/builtin/packages/pfunit/package.py b/var/spack/repos/builtin/packages/pfunit/package.py index 0ad50d8a48..a635dd96ec 100644 --- a/var/spack/repos/builtin/packages/pfunit/package.py +++ b/var/spack/repos/builtin/packages/pfunit/package.py @@ -225,7 +225,6 @@ class Pfunit(CMakePackage): "%gcc": "GNU", "%clang": "GNU", "%intel": "Intel", - "%pgi": "PGI", "%nag": "NAG", "%cce": "Cray", } diff --git a/var/spack/repos/builtin/packages/pgi/detection_test.yaml b/var/spack/repos/builtin/packages/pgi/detection_test.yaml deleted file mode 100644 index ec6268282e..0000000000 --- a/var/spack/repos/builtin/packages/pgi/detection_test.yaml +++ /dev/null @@ -1,33 +0,0 @@ -paths: -- layout: - - executables: - - bin/pgcc - script: | - echo "pgcc 15.10-0 64-bit target on x86-64 Linux -tp sandybridge" - echo "The Portland Group - PGI Compilers and Tools" - echo "Copyright (c) 2015, NVIDIA CORPORATION. All rights reserved." - platforms: [linux] - results: - - spec: pgi@15.10 - -- layout: - - executables: - - bin/pgcc - script: | - echo "pgcc 17.4-0 linuxpower target on Linuxpower" - echo "PGI Compilers and Tools" - echo "Copyright (c) 2017, NVIDIA CORPORATION. All rights reserved." - platforms: [linux] - results: - - spec: pgi@17.4 - -- layout: - - executables: - - bin/pgcc - script: | - echo "pgcc-llvm 18.4-0 LLVM 64-bit target on x86-64 Linux -tp haswell" - echo "PGI Compilers and Tools" - echo "Copyright (c) 2018, NVIDIA CORPORATION. All rights reserved." - platforms: [linux] - results: - - spec: pgi@18.4 diff --git a/var/spack/repos/builtin/packages/pgi/package.py b/var/spack/repos/builtin/packages/pgi/package.py deleted file mode 100644 index 37196669cf..0000000000 --- a/var/spack/repos/builtin/packages/pgi/package.py +++ /dev/null @@ -1,115 +0,0 @@ -# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other -# Spack Project Developers. See the top-level COPYRIGHT file for details. -# -# SPDX-License-Identifier: (Apache-2.0 OR MIT) - -import os - -from spack.package import * -from spack.util.prefix import Prefix - - -class Pgi(Package, CompilerPackage): - """PGI optimizing multi-core x64 compilers for Linux, MacOS & Windows - with support for debugging and profiling of local MPI processes. - - Note: The PGI compilers are licensed software. You will need to create an - account on the PGI homepage and download PGI yourself. Spack will search - your current directory for the download tarball. Alternatively, add this - file to a mirror so that Spack can find it. For instructions on how to - set up a mirror, see https://spack.readthedocs.io/en/latest/mirrors.html""" - - homepage = "https://www.pgroup.com/" - manual_download = True - - version("20.4", sha256="f3ecc2104b304cd5c8b20e3ffdb5da88f2b5f7cc148e8daf00561928a5cbbc2e") - version("19.10", sha256="ac9db73ba80a66fe3bc875f63aaa9e16f54674a4e88b25416432430ba8cf203d") - version("19.7", sha256="439692aeb51eff464b968c3bfed4536ed7bd3ba6f8174bc0ebe2219a78fe62ae") - version("19.4", sha256="23eee0d4da751dd6f247d624b68b03538ebd172e63a053c41bb67013f07cf68e") - version("19.1", sha256="3e05a6db2bf80b5d15f6ff83188f20cb89dc23e233417921e5c0822e7e57d34f") - version("18.10", sha256="4b3ff83d2a13de6001bed599246eff8e63ef711b8952d4a9ee12efd666b3e326") - version("18.4", sha256="81e0dcf6000b026093ece180d42d77854c23269fb8409cedcf51c674ca580a0f") - version("17.10", sha256="9da8f869fb9b70c0c4423c903d40a9e22d54b997af359a43573c0841165cd1b6") - version("17.4", sha256="115c212d526695fc116fe44f1e722793e60b6f7d1b341cd7e77a95da8e7f6c34") - - variant("network", default=True, description="Perform a network install") - variant("single", default=False, description="Perform a single system install") - variant( - "nvidia", default=False, description="Enable installation of optional NVIDIA components" - ) - variant("amd", default=False, description="Enable installation of optional AMD components") - variant("java", default=False, description="Enable installation of Java Runtime Environment") - variant("mpi", default=False, description="Enable installation of Open MPI") - - # Licensing - license_required = True - license_comment = "#" - license_files = ["license.dat"] - license_vars = ["PGROUPD_LICENSE_FILE", "LM_LICENSE_FILE"] - license_url = "http://www.pgroup.com/doc/pgiinstall.pdf" - - def url_for_version(self, version): - if int(str(version.up_to(1))) <= 17: - return "file://{0}/pgilinux-20{1}-{2}-x86_64.tar.gz".format( - os.getcwd(), version.up_to(1), version.joined - ) - else: - return "file://{0}/pgilinux-20{1}-{2}-x86-64.tar.gz".format( - os.getcwd(), version.up_to(1), version.joined - ) - - compiler_languages = ["c", "cxx", "fortran"] - c_names = ["pgcc"] - cxx_names = ["pgc++", "pgCC"] - fortran_names = ["pgfortran"] # older names long deprecated - compiler_version_argument = "-V" - compiler_version_regex = r"pg[^ ]* ([0-9.]+)-[0-9]+ (?:LLVM )?[^ ]+ target on " - - def install(self, spec, prefix): - # Enable the silent installation feature - os.environ["PGI_SILENT"] = "true" - os.environ["PGI_ACCEPT_EULA"] = "accept" - os.environ["PGI_INSTALL_DIR"] = prefix - - if "+network" in spec and "~single" in spec: - os.environ["PGI_INSTALL_TYPE"] = "network" - os.environ["PGI_INSTALL_LOCAL_DIR"] = "%s/%s/share_objects" % (prefix, self.version) - elif "+single" in spec and "~network" in spec: - os.environ["PGI_INSTALL_TYPE"] = "single" - else: - msg = "You must choose either a network install or a single " - msg += "system install.\nYou cannot choose both." - raise RuntimeError(msg) - - if "+nvidia" in spec: - os.environ["PGI_INSTALL_NVIDIA"] = "true" - - if "+amd" in spec: - os.environ["PGI_INSTALL_AMD"] = "true" - - if "+java" in spec: - os.environ["PGI_INSTALL_JAVA"] = "true" - - if "+mpi" in spec: - os.environ["PGI_INSTALL_MPI"] = "true" - - # Run install script - os.system("./install") - - def setup_run_environment(self, env): - prefix = Prefix(join_path(self.prefix, "linux86-64", self.version)) - - env.prepend_path("PATH", prefix.bin) - env.prepend_path("MANPATH", prefix.man) - env.prepend_path("LD_LIBRARY_PATH", prefix.lib) - env.set("CC", join_path(prefix.bin, "pgcc")) - env.set("CXX", join_path(prefix.bin, "pgc++")) - env.set("F77", join_path(prefix.bin, "pgfortran")) - env.set("FC", join_path(prefix.bin, "pgfortran")) - - if "+mpi" in self.spec: - ompi_dir = os.listdir(prefix.mpi)[0] - env.prepend_path("PATH", join_path(prefix.mpi, ompi_dir, "bin")) - env.prepend_path("LD_LIBRARY_PATH", join_path(prefix.mpi, ompi_dir, "lib")) - env.prepend_path("C_INCLUDE_PATH", join_path(prefix.mpi, ompi_dir, "include")) - env.prepend_path("MANPATH", join_path(prefix.mpi, ompi_dir, "share/man")) diff --git a/var/spack/repos/builtin/packages/pkg-config/package.py b/var/spack/repos/builtin/packages/pkg-config/package.py index d2f51bf11d..6122182c39 100644 --- a/var/spack/repos/builtin/packages/pkg-config/package.py +++ b/var/spack/repos/builtin/packages/pkg-config/package.py @@ -29,9 +29,6 @@ class PkgConfig(AutotoolsPackage): # The following patch is needed for gcc-6.1 patch("g_date_strftime.patch", when="@:0.29.1") - # https://github.com/spack/spack/issues/3525 - conflicts("%pgi") - parallel = False tags = ["build-tools"] diff --git a/var/spack/repos/builtin/packages/pkgconf/package.py b/var/spack/repos/builtin/packages/pkgconf/package.py index 39f3b198e0..abf731d41b 100644 --- a/var/spack/repos/builtin/packages/pkgconf/package.py +++ b/var/spack/repos/builtin/packages/pkgconf/package.py @@ -40,12 +40,6 @@ class Pkgconf(AutotoolsPackage): # 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') - - # https://github.com/spack/spack/issues/3525 - conflicts("%pgi") - tags = ["build-tools"] executables = ["^pkgconf$", "^pkg-config$"] diff --git a/var/spack/repos/builtin/packages/plasma/package.py b/var/spack/repos/builtin/packages/plasma/package.py index 1d5e46b272..65825a781f 100644 --- a/var/spack/repos/builtin/packages/plasma/package.py +++ b/var/spack/repos/builtin/packages/plasma/package.py @@ -82,7 +82,6 @@ class Plasma(CMakePackage): conflicts("%clang") conflicts("%intel") conflicts("%nag") - conflicts("%pgi") conflicts("%xl") conflicts("%xl_r") diff --git a/var/spack/repos/builtin/packages/precice/package.py b/var/spack/repos/builtin/packages/precice/package.py index 2c1db9878f..b333271365 100644 --- a/var/spack/repos/builtin/packages/precice/package.py +++ b/var/spack/repos/builtin/packages/precice/package.py @@ -116,7 +116,6 @@ class Precice(CMakePackage): conflicts("%apple-clang@:5") conflicts("%clang@:3.7") conflicts("%intel@:16") - conflicts("%pgi@:17.3") def xsdk_tpl_args(self): return [ diff --git a/var/spack/repos/builtin/packages/qmcpack/package.py b/var/spack/repos/builtin/packages/qmcpack/package.py index 5b9996e04f..b39e9d59e4 100644 --- a/var/spack/repos/builtin/packages/qmcpack/package.py +++ b/var/spack/repos/builtin/packages/qmcpack/package.py @@ -145,7 +145,6 @@ class Qmcpack(CMakePackage, CudaPackage): cpp14_warning = "QMCPACK v3.6.0 or later requires a " "compiler with support for C++14" conflicts("%gcc@:4", when="@3.6.0:", msg=cpp14_warning) conflicts("%intel@:17", when="@3.6.0:", msg=cpp14_warning) - conflicts("%pgi@:17", when="@3.6.0:", msg=cpp14_warning) conflicts("%clang@:3.4", when="@3.6.0:", msg=cpp14_warning) conflicts("+afqmc", when="@:3.6.0", msg="AFQMC not recommended before v3.7") @@ -167,7 +166,6 @@ class Qmcpack(CMakePackage, CudaPackage): "Intel compiler when linking against Intel MKL" ) conflicts("%gcc", when="@:3.4.0 ^intel-mkl", msg=mkl_warning) - conflicts("%pgi", when="@:3.4.0 ^intel-mkl", msg=mkl_warning) conflicts("%llvm", when="@:3.4.0 ^intel-mkl", msg=mkl_warning) # Dependencies match those in the QMCPACK manual. diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index ea8715a64d..76cb719bcf 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -226,11 +226,6 @@ class QuantumEspresso(CMakePackage, Package): # EPW doesn't gets along well with OpenMPI 2.x.x conflicts("^openmpi@2.0.0:2", msg="OpenMPI version incompatible with EPW") - # EPW also doesn't gets along well with PGI 17.x + OpenMPI 1.10.7 - conflicts( - "^openmpi@1.10.7%pgi@17.0:17.12", msg="PGI+OpenMPI version combo incompatible with EPW" - ) - variant( "environ", default=False, diff --git a/var/spack/repos/builtin/packages/raxml/package.py b/var/spack/repos/builtin/packages/raxml/package.py index 4691a5c496..4d09f191e3 100644 --- a/var/spack/repos/builtin/packages/raxml/package.py +++ b/var/spack/repos/builtin/packages/raxml/package.py @@ -35,7 +35,6 @@ class Raxml(Package): conflicts("%apple-clang") conflicts("%clang") conflicts("%nag") - conflicts("%pgi") conflicts("%xl") conflicts("%xl_r") diff --git a/var/spack/repos/builtin/packages/rmgdft/package.py b/var/spack/repos/builtin/packages/rmgdft/package.py index 8165f07d54..2337252052 100644 --- a/var/spack/repos/builtin/packages/rmgdft/package.py +++ b/var/spack/repos/builtin/packages/rmgdft/package.py @@ -55,7 +55,6 @@ class Rmgdft(CMakePackage, CudaPackage): compiler_warning14 = "RMGDFT 4.0.0 or later requires a compiler with support for C++14" conflicts("%gcc@:4", when="@3.6.0:", msg=compiler_warning14) conflicts("%intel@:17", when="@3.6.0:", msg=compiler_warning14) - conflicts("%pgi@:17", when="@3.6.0:", msg=compiler_warning14) conflicts("%llvm@:3.4", when="@3.6.0:", msg=compiler_warning14) # RMGDFT 5.0.0 requires C++17 and increase the minimum gcc to 8 diff --git a/var/spack/repos/builtin/packages/rmlab/package.py b/var/spack/repos/builtin/packages/rmlab/package.py index 836f52039b..63f361d0a8 100644 --- a/var/spack/repos/builtin/packages/rmlab/package.py +++ b/var/spack/repos/builtin/packages/rmlab/package.py @@ -27,7 +27,6 @@ class Rmlab(CMakePackage): # C++11 conflicts("%gcc@:4.7") conflicts("%intel@:15") - conflicts("%pgi@:14") depends_on("pngwriter@0.6.0:", when="+png") diff --git a/var/spack/repos/builtin/packages/rsbench/package.py b/var/spack/repos/builtin/packages/rsbench/package.py index 7c2cd25bbd..6b4f041d80 100644 --- a/var/spack/repos/builtin/packages/rsbench/package.py +++ b/var/spack/repos/builtin/packages/rsbench/package.py @@ -45,7 +45,7 @@ class Rsbench(MakefilePackage): cflags += " -ffast-math " elif spec.satisfies("%intel"): cflags += " -xhost -ansi-alias -no-prec-div " - elif spec.satisfies("%pgi") or spec.satisfies("%nvhpc"): + elif spec.satisfies("%nvhpc"): cflags += " -fastsse " elif spec.satisfies("%arm"): cflags += " -ffast-math " diff --git a/var/spack/repos/builtin/packages/scale/package.py b/var/spack/repos/builtin/packages/scale/package.py index 8d9171756f..3d45b572c4 100644 --- a/var/spack/repos/builtin/packages/scale/package.py +++ b/var/spack/repos/builtin/packages/scale/package.py @@ -51,8 +51,6 @@ class Scale(MakefilePackage): scale_sys_str = "Linux64-gnu-ompi" elif self.spec.satisfies("platform=linux %intel"): scale_sys_str = "Linux64-intel-impi" - elif self.spec.satisfies("platform=linux %pgi"): - scale_sys_str = "Linux64-pgi-ompi" elif self.spec.satisfies("platform=linux target=arm %gcc"): scale_sys_str = "LinuxARM-gnu-ompi" elif self.spec.satisfies("platform=linux target=a64fx %fj"): diff --git a/var/spack/repos/builtin/packages/serialbox/package.py b/var/spack/repos/builtin/packages/serialbox/package.py index 0618fe9db2..1d756cb0d9 100644 --- a/var/spack/repos/builtin/packages/serialbox/package.py +++ b/var/spack/repos/builtin/packages/serialbox/package.py @@ -45,9 +45,6 @@ class Serialbox(CMakePackage): ) depends_on("cmake@3.12:", type="build") - # We might be provided with an external vanilla cmake, and we need one with - # with https://gitlab.kitware.com/cmake/cmake/-/merge_requests/5025 - depends_on("cmake@3.19:", when="%pgi", type="build") depends_on("boost@1.54:", type="build") depends_on("boost+filesystem+system", when="~std-filesystem", type=("build", "link")) @@ -147,10 +144,7 @@ class Serialbox(CMakePackage): # undefined reference to # `std::experimental::filesystem::v1::__cxx11::path:: # _M_find_extension[abi:cxx11]() const' - if any( - self.spec.satisfies("{0}+std-filesystem".format(x)) - for x in ["%intel@:19.0.1", "%pgi@:19.9"] - ): + if self.spec.satisfies("%intel@:19.0.1+std-filesystem"): cmake_flags.append("-D_GLIBCXX_USE_CXX11_ABI=0") return flags, None, (cmake_flags or None) diff --git a/var/spack/repos/builtin/packages/spectrum-mpi/package.py b/var/spack/repos/builtin/packages/spectrum-mpi/package.py index 9c06900e6a..54c70c6b56 100644 --- a/var/spack/repos/builtin/packages/spectrum-mpi/package.py +++ b/var/spack/repos/builtin/packages/spectrum-mpi/package.py @@ -37,7 +37,6 @@ class SpectrumMpi(BundlePackage): def determine_variants(cls, exes, version): compiler_suites = { "xl": {"cc": "mpixlc", "cxx": "mpixlC", "f77": "mpixlf", "fc": "mpixlf"}, - "pgi": {"cc": "mpipgicc", "cxx": "mpipgic++", "f77": "mpipgifort", "fc": "mpipgifort"}, "default": {"cc": "mpicc", "cxx": "mpicxx", "f77": "mpif77", "fc": "mpif90"}, } @@ -110,11 +109,6 @@ class SpectrumMpi(BundlePackage): self.spec.mpicxx = os.path.join(self.prefix.bin, "mpixlC") self.spec.mpif77 = os.path.join(self.prefix.bin, "mpixlf") self.spec.mpifc = os.path.join(self.prefix.bin, "mpixlf") - elif "%pgi" in dependent_spec: - self.spec.mpicc = os.path.join(self.prefix.bin, "mpipgicc") - self.spec.mpicxx = os.path.join(self.prefix.bin, "mpipgic++") - self.spec.mpif77 = os.path.join(self.prefix.bin, "mpipgifort") - self.spec.mpifc = os.path.join(self.prefix.bin, "mpipgifort") else: self.spec.mpicc = os.path.join(self.prefix.bin, "mpicc") self.spec.mpicxx = os.path.join(self.prefix.bin, "mpicxx") @@ -127,11 +121,6 @@ class SpectrumMpi(BundlePackage): env.set("MPICXX", os.path.join(self.prefix.bin, "mpixlC")) env.set("MPIF77", os.path.join(self.prefix.bin, "mpixlf")) env.set("MPIF90", os.path.join(self.prefix.bin, "mpixlf")) - elif "%pgi" in dependent_spec: - env.set("MPICC", os.path.join(self.prefix.bin, "mpipgicc")) - env.set("MPICXX", os.path.join(self.prefix.bin, "mpipgic++")) - env.set("MPIF77", os.path.join(self.prefix.bin, "mpipgifort")) - env.set("MPIF90", os.path.join(self.prefix.bin, "mpipgifort")) else: env.set("MPICC", os.path.join(self.prefix.bin, "mpicc")) env.set("MPICXX", os.path.join(self.prefix.bin, "mpic++")) @@ -153,11 +142,6 @@ class SpectrumMpi(BundlePackage): env.set("MPICXX", os.path.join(self.prefix.bin, "mpixlC")) env.set("MPIF77", os.path.join(self.prefix.bin, "mpixlf")) env.set("MPIF90", os.path.join(self.prefix.bin, "mpixlf")) - elif "%pgi" in self.spec: - env.set("MPICC", os.path.join(self.prefix.bin, "mpipgicc")) - env.set("MPICXX", os.path.join(self.prefix.bin, "mpipgic++")) - env.set("MPIF77", os.path.join(self.prefix.bin, "mpipgifort")) - env.set("MPIF90", os.path.join(self.prefix.bin, "mpipgifort")) else: env.set("MPICC", os.path.join(self.prefix.bin, "mpicc")) env.set("MPICXX", os.path.join(self.prefix.bin, "mpic++")) diff --git a/var/spack/repos/builtin/packages/stripack/package.py b/var/spack/repos/builtin/packages/stripack/package.py index 289101da5e..75a1c63687 100644 --- a/var/spack/repos/builtin/packages/stripack/package.py +++ b/var/spack/repos/builtin/packages/stripack/package.py @@ -69,7 +69,7 @@ class Stripack(MakefilePackage): fflags += ["-qrealsize=8"] elif satisfies("%fj"): fflags += ["-CcdRR8"] - elif satisfies("%pgi") or satisfies("%nvhpc"): + elif satisfies("%nvhpc"): fflags += ["-r8"] fflags += [self.compiler.fc_pic_flag] make("all", "FFLAGS={0}".format(" ".join(fflags))) diff --git a/var/spack/repos/builtin/packages/suite-sparse/package.py b/var/spack/repos/builtin/packages/suite-sparse/package.py index a6c8fbaed8..3069a52127 100644 --- a/var/spack/repos/builtin/packages/suite-sparse/package.py +++ b/var/spack/repos/builtin/packages/suite-sparse/package.py @@ -90,8 +90,7 @@ class SuiteSparse(Package): msg="suite-sparse needs task_scheduler_init.h dropped in recent tbb libs", ) - # This patch removes unsupported flags for pgi compiler - patch("pgi.patch", when="%pgi") + # This patch removes unsupported flags for nvhpc compiler patch("pgi.patch", when="%nvhpc") # This patch adds '-lm' when linking libgraphblas and when using clang. @@ -234,8 +233,6 @@ class SuiteSparse(Package): # optimizations if any([x in spec for x in ("%apple-clang", "%clang", "%gcc", "%intel", "%fj")]): make_args += ["CFLAGS+=-fno-common -fexceptions"] - elif "%pgi" in spec: - make_args += ["CFLAGS+=--exceptions"] if spack_f77.endswith("xlf") or spack_f77.endswith("xlf_r"): make_args += ["CFLAGS+=-DBLAS_NO_UNDERSCORE"] diff --git a/var/spack/repos/builtin/packages/taskflow/package.py b/var/spack/repos/builtin/packages/taskflow/package.py index 8be3f42b56..510509e5b5 100644 --- a/var/spack/repos/builtin/packages/taskflow/package.py +++ b/var/spack/repos/builtin/packages/taskflow/package.py @@ -31,7 +31,6 @@ class Taskflow(CMakePackage): conflicts("%clang@:3.5") conflicts("%apple-clang@:8.0.0") # untested: conflicts('%intel@:15') - # untested: conflicts('%pgi@:14') def cmake_args(self): try: diff --git a/var/spack/repos/builtin/packages/tealeaf/package.py b/var/spack/repos/builtin/packages/tealeaf/package.py index 443c899733..ba894d0380 100644 --- a/var/spack/repos/builtin/packages/tealeaf/package.py +++ b/var/spack/repos/builtin/packages/tealeaf/package.py @@ -47,8 +47,6 @@ class Tealeaf(MakefilePackage): targets.append("COMPILER=CRAY") elif "%intel" in self.spec: targets.append("COMPILER=INTEL") - elif "%pgi" in self.spec: - targets.append("COMPILER=PGI") elif "%xl" in self.spec: targets.append("COMPILER=XL") diff --git a/var/spack/repos/builtin/packages/unblur/package.py b/var/spack/repos/builtin/packages/unblur/package.py index 0965489df8..c0e6bc1a79 100644 --- a/var/spack/repos/builtin/packages/unblur/package.py +++ b/var/spack/repos/builtin/packages/unblur/package.py @@ -26,7 +26,6 @@ class Unblur(AutotoolsPackage): depends_on("fftw@3:") # Requires Intel Fortran compiler conflicts("%gcc") - conflicts("%pgi") conflicts("%apple-clang") conflicts("%clang") conflicts("%cce") diff --git a/var/spack/repos/builtin/packages/wi4mpi/package.py b/var/spack/repos/builtin/packages/wi4mpi/package.py index 4e80094007..19b5ba033a 100644 --- a/var/spack/repos/builtin/packages/wi4mpi/package.py +++ b/var/spack/repos/builtin/packages/wi4mpi/package.py @@ -47,8 +47,6 @@ class Wi4mpi(CMakePackage): compiler = "INTEL" elif "%clang" in self.spec: compiler = "LLVM" - elif "%pgi" in self.spec: - compiler = "PGI" else: tty.error("Could not determine compiler used") wi4mpi_build_type = "RELEASE" diff --git a/var/spack/repos/builtin/packages/wps/package.py b/var/spack/repos/builtin/packages/wps/package.py index 89633e7c8d..7aef1c38cf 100644 --- a/var/spack/repos/builtin/packages/wps/package.py +++ b/var/spack/repos/builtin/packages/wps/package.py @@ -95,7 +95,6 @@ class Wps(Package): "dmpar": "19", "dmpar_NO_GRIB2": "20", }, - "pgi": {"serial": "5", "serial_NO_GRIB2": "6", "dmpar": "7", "dmpar_NO_GRIB2": "8"}, } try: diff --git a/var/spack/repos/builtin/packages/xsimd/package.py b/var/spack/repos/builtin/packages/xsimd/package.py index e869da903c..0086812647 100644 --- a/var/spack/repos/builtin/packages/xsimd/package.py +++ b/var/spack/repos/builtin/packages/xsimd/package.py @@ -41,7 +41,6 @@ class Xsimd(CMakePackage): conflicts("%gcc@:4.8") conflicts("%clang@:3.6") # untested: conflicts('%intel@:15') - # untested: conflicts('%pgi@:14') def cmake_args(self): args = [self.define("BUILD_TESTS", self.run_tests)] diff --git a/var/spack/repos/builtin/packages/xtensor/package.py b/var/spack/repos/builtin/packages/xtensor/package.py index 58c20ab95e..3e964afbf0 100644 --- a/var/spack/repos/builtin/packages/xtensor/package.py +++ b/var/spack/repos/builtin/packages/xtensor/package.py @@ -52,7 +52,6 @@ class Xtensor(CMakePackage): conflicts("%gcc@:4.8") conflicts("%clang@:3.5") # untested: conflicts('%intel@:15') - # untested: conflicts('%pgi@:14') def cmake_args(self): args = [ diff --git a/var/spack/repos/builtin/packages/xtl/package.py b/var/spack/repos/builtin/packages/xtl/package.py index f3dcf90fa0..007c4d1ea6 100644 --- a/var/spack/repos/builtin/packages/xtl/package.py +++ b/var/spack/repos/builtin/packages/xtl/package.py @@ -31,4 +31,3 @@ class Xtl(CMakePackage): conflicts("%gcc@:4.8") conflicts("%clang@:3.6") # untested: conflicts('%intel@:15') - # untested: conflicts('%pgi@:14') diff --git a/var/spack/repos/builtin/packages/zoltan/package.py b/var/spack/repos/builtin/packages/zoltan/package.py index 86121f412e..f6e3b6d746 100644 --- a/var/spack/repos/builtin/packages/zoltan/package.py +++ b/var/spack/repos/builtin/packages/zoltan/package.py @@ -102,8 +102,6 @@ class Zoltan(AutotoolsPackage): config_incdirs = [] # PGI runtime libraries - if "%pgi" in spec: - config_ldflags.append("-pgf90libs") # NVHPC runtime libraries if "%nvhpc" in spec: config_ldflags.append("-fortranlibs") |