diff options
3 files changed, 22 insertions, 186 deletions
diff --git a/var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch b/var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch deleted file mode 100644 index 47e8f2213b..0000000000 --- a/var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch +++ /dev/null @@ -1,75 +0,0 @@ ---- a/configure 2020-09-24 11:13:16.306629033 -0700 -+++ b/configure 2020-09-24 11:14:16.412221646 -0700 -@@ -8908,7 +8908,7 @@ - lt_prog_compiler_pic='-fPIC' - lt_prog_compiler_static='-static' - ;; -- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*) -+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*) - # Portland Group compilers (*not* the Pentium gcc compiler, - # which looks to be a dead project) - lt_prog_compiler_wl='-Wl,' -@@ -9547,11 +9547,11 @@ - tmp_addflag=' $pic_flag' - tmp_sharedflag='-shared' - case $cc_basename,$host_cpu in -- pgcc*) # Portland Group C compiler -+ pgcc* | nvc) # Portland Group C compiler - whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive' - tmp_addflag=' $pic_flag' - ;; -- pgf77* | pgf90* | pgf95* | pgfortran*) -+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*) - # Portland Group f77 and f90 compilers - whole_archive_flag_spec='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive' - tmp_addflag=' $pic_flag -Mnomain' ;; -@@ -13810,7 +13810,7 @@ - ac_link='$FC -o conftest$ac_exeext $FCFLAGS $LDFLAGS $ac_fcflags_srcext conftest.$ac_ext $LIBS >&5' - ac_compiler_gnu=$ac_cv_fc_compiler_gnu - if test -n "$ac_tool_prefix"; then -- for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor -+ for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 nvfortran lf95 ftn nagfor - do - # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. - set dummy $ac_tool_prefix$ac_prog; ac_word=$2 -@@ -13854,7 +13854,7 @@ - fi - if test -z "$FC"; then - ac_ct_FC=$FC -- for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 lf95 ftn nagfor -+ for ac_prog in xlf90 f90 pgf90 pghpf epcf90 gfortran g95 xlf95 f95 fort ifort ifc efc pgfortran pgf95 nvfortran lf95 ftn nagfor - do - # Extract the first word of "$ac_prog", so it can be a program name with args. - set dummy $ac_prog; ac_word=$2 -@@ -14545,7 +14545,7 @@ - lt_prog_compiler_pic_FC='-fPIC' - lt_prog_compiler_static_FC='-static' - ;; -- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*) -+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*) - # Portland Group compilers (*not* the Pentium gcc compiler, - # which looks to be a dead project) - lt_prog_compiler_wl_FC='-Wl,' -@@ -14587,7 +14587,7 @@ - lt_prog_compiler_pic_FC='-fPIC' - lt_prog_compiler_static_FC='-static' - ;; -- *Portland\ Group*) -+ *Portland\ Group* | *NVIDIA\ Compilers* | *PGI\ Compilers*) - lt_prog_compiler_wl_FC='-Wl,' - lt_prog_compiler_pic_FC='-fpic' - lt_prog_compiler_static_FC='-Bstatic' -@@ -15169,11 +15169,11 @@ - tmp_addflag=' $pic_flag' - tmp_sharedflag='-shared' - case $cc_basename,$host_cpu in -- pgcc*) # Portland Group C compiler -+ pgcc* | nvc) # Portland Group C compiler - whole_archive_flag_spec_FC='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive' - tmp_addflag=' $pic_flag' - ;; -- pgf77* | pgf90* | pgf95* | pgfortran*) -+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*) - # Portland Group f77 and f90 compilers - whole_archive_flag_spec_FC='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive' - tmp_addflag=' $pic_flag -Mnomain' ;; diff --git a/var/spack/repos/builtin/packages/libxc/nvhpc-libtool.patch b/var/spack/repos/builtin/packages/libxc/nvhpc-libtool.patch deleted file mode 100644 index 18d6b0e1fe..0000000000 --- a/var/spack/repos/builtin/packages/libxc/nvhpc-libtool.patch +++ /dev/null @@ -1,77 +0,0 @@ -From b71206582131f88f6602a40e4c67e3d92b119229 Mon Sep 17 00:00:00 2001 -From: Tin Huynh <ahuynh@nvidia.com> -Date: Mon, 27 Jul 2020 15:15:47 -0700 -Subject: [PATCH] Recognize new Nvidia compilers. - -With the upcoming release of HPC-SDK, updating Libtool to recognize Nvidia -compilers (nvc, nvc++, nvfortran). ---- - m4/libtool.m4 | 21 ++++++++++----------- - 1 file changed, 10 insertions(+), 11 deletions(-) - -diff --git a/m4/libtool.m4 b/m4/libtool.m4 -index f2d1f39..4eac689 100644 ---- a/m4/libtool.m4 -+++ b/m4/libtool.m4 -@@ -4402,8 +4402,8 @@ m4_if([$1], [CXX], [ - _LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC' - _LT_TAGVAR(lt_prog_compiler_static, $1)='-static' - ;; -- pgCC* | pgcpp*) -- # Portland Group C++ compiler -+ pgCC* | pgcpp* | pgc\+\+* | nvc\+\+*) -+ # NVIDIA HPC C++ compiler - _LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,' - _LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic' - _LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic' -@@ -4739,9 +4739,8 @@ m4_if([$1], [CXX], [ - _LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC' - _LT_TAGVAR(lt_prog_compiler_static, $1)='-static' - ;; -- pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*) -- # Portland Group compilers (*not* the Pentium gcc compiler, -- # which looks to be a dead project) -+ pgcc* | pgf77* | pgf90* | pgf95* | pgfortran* | nvc | nvfortran*) -+ # NVIDIA HPC Compilers - _LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,' - _LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic' - _LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic' -@@ -4781,7 +4780,7 @@ m4_if([$1], [CXX], [ - _LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC' - _LT_TAGVAR(lt_prog_compiler_static, $1)='-static' - ;; -- *Portland\ Group*) -+ *Portland\ Group* | *NVIDIA\ Compilers* | *PGI\ Compilers*) - _LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,' - _LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic' - _LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic' -@@ -5209,12 +5208,12 @@ _LT_EOF - tmp_addflag=' $pic_flag' - tmp_sharedflag='-shared' - case $cc_basename,$host_cpu in -- pgcc*) # Portland Group C compiler -+ pgcc* | nvc) # NVIDIA HPC C++ Compiler - _LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive' - tmp_addflag=' $pic_flag' - ;; -- pgf77* | pgf90* | pgf95* | pgfortran*) -- # Portland Group f77 and f90 compilers -+ pgf77* | pgf90* | pgf95* | pgfortran* | nvfortran*) -+ # NVIDIA HPC Fortran Compilers - _LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` $wl--no-whole-archive' - tmp_addflag=' $pic_flag -Mnomain' ;; - ecc*,ia64* | icc*,ia64*) # Intel C compiler on ia64 -@@ -7004,8 +7003,8 @@ if test yes != "$_lt_caught_CXX_error"; then - _LT_TAGVAR(export_dynamic_flag_spec, $1)='$wl--export-dynamic' - _LT_TAGVAR(whole_archive_flag_spec, $1)='$wl--whole-archive$convenience $wl--no-whole-archive' - ;; -- pgCC* | pgcpp*) -- # Portland Group C++ compiler -+ pgCC* | pgcpp* | pgc\+\+* | nvc\+\+*) -+ # NVIDIA HPC C++ compiler - case `$CC -V` in - *pgCC\ [[1-5]].* | *pgcpp\ [[1-5]].*) - _LT_TAGVAR(prelink_cmds, $1)='tpldir=Template.dir~ --- -2.7.4 - diff --git a/var/spack/repos/builtin/packages/libxc/package.py b/var/spack/repos/builtin/packages/libxc/package.py index 9c1c6897d8..d3f2d9d40c 100644 --- a/var/spack/repos/builtin/packages/libxc/package.py +++ b/var/spack/repos/builtin/packages/libxc/package.py @@ -15,24 +15,24 @@ class Libxc(AutotoolsPackage, CudaPackage): license("MPL-2.0-no-copyleft-exception") - version("6.2.2", sha256="3b0523924579cf494cafc6fea92945257f35692b004217d3dfd3ea7ca780e8dc") - version("6.2.1", sha256="b5f3b4514db6bc4ccda1da90ac6176ea1f82e12241cc66427c58cbc4a5197b9b") - version("6.2.0", sha256="3d25878782b5f94e7e4d41bd6de27f98983584cd0be0c65e69a9ada986b56b4d") - version("6.1.0", sha256="f593745fa47ebfb9ddc467aaafdc2fa1275f0d7250c692ce9761389a90dd8eaf") - version("6.0.0", sha256="0c774e8e195dd92800b9adf3df5f5721e29acfe9af4b191a9937c7de4f9aa9f6") - version("5.2.3", sha256="7b7a96d8eeb472c7b8cca7ac38eae27e0a8113ef44dae5359b0eb12592b4bcf2") - version("5.1.7", sha256="1a818fdfe5c5f74270bc8ef0c59064e8feebcd66b8f642c08aecc1e7d125be34") - version("5.1.5", sha256="02e4615a22dc3ec87a23efbd3d9be5bfad2445337140bad1720699571c45c3f9") - version("5.1.3", sha256="0350defdd6c1b165e4cf19995f590eee6e0b9db95a6b221d28cecec40f4e85cd") - version("5.1.2", sha256="180d52b5552921d1fac8a10869dd30708c0fb41dc202a3bbee0e36f43872718a") - version("5.1.0", sha256="f67b6e518372871d9eed6e5dba77c3ab5ea030c229ba7a7d44bcf51f3258373f") - version("5.0.0", sha256="1cdc57930f7b57da4eb9b2c55a50ba1c2c385936ddaf5582fee830994461a892") - version("4.3.4", sha256="a8ee37ddc5079339854bd313272856c9d41a27802472ee9ae44b58ee9a298337") - version("4.3.2", sha256="bc159aea2537521998c7fb1199789e1be71e04c4b7758d58282622e347603a6f") - version("4.2.3", sha256="02e49e9ba7d21d18df17e9e57eae861e6ce05e65e966e1e832475aa09e344256") - version("3.0.0", sha256="5542b99042c09b2925f2e3700d769cda4fb411b476d446c833ea28c6bfa8792a") - version("2.2.2", sha256="6ca1d0bb5fdc341d59960707bc67f23ad54de8a6018e19e02eee2b16ea7cc642") - version("2.2.1", sha256="ade61c1fa4ed238edd56408fd8ee6c2e305a3d5753e160017e2a71817c98fd00") + version("6.2.2", sha256="d1b65ef74615a1e539d87a0e6662f04baf3a2316706b4e2e686da3193b26b20f") + version("6.2.1", sha256="da96fc4f6e4221734986f49758b410ffe1d406efd3538761062a4af57a2bd272") + version("6.2.0", sha256="31edb72c69157b6c0beaff1f10cbbb6348ce7579ef81d8f286764e5ab61194d1") + version("6.1.0", sha256="9baf23501dca21b05fa22d8e2ffeb56f294abe19ba12584cb3f9b421ae719c5f") + version("6.0.0", sha256="48a5393984d95bf0dd05c5ffc94e77da938b7f321058fe250c3448c7a9392c88") + version("5.2.3", sha256="3e0b36b3b9986a621fd8850133408f6f567bd7db5636a32a68f7637e116e268c") + version("5.1.7", sha256="1d50e1a92e59b5f3c8e7408f8612f0fb0e953d4f159515b7d81485891f3a1bbc") + version("5.1.5", sha256="101d6ea9e013006deae074843f0d02ab2813e16734e47ff7b0551babc4497163") + version("5.1.3", sha256="76b2abd063b692ed7e60fb6dfdf5a54072378710ee91f2b352a4e311d9805e97") + version("5.1.2", sha256="ff13eef8184b6c61dac8933ee74fc05967de4a67489581bdc500f1ec63826aae") + version("5.1.0", sha256="e8d2b6eb2b46b356a27f0367a7665ff276d7f295da7c734e774ee66f82e56297") + version("5.0.0", sha256="6b3be3cf6daf6b3eddf32d4077276eb9169531b42f98c2ca28ac85b9ea408493") + version("4.3.4", sha256="2d5878dd69f0fb68c5e97f46426581eed2226d1d86e3080f9aa99af604c65647") + version("4.3.2", sha256="3bbe01971d0a43fb63b5c17d922388a39a3f0ae3bd37ae5f6fe31bca9ab63f3c") + version("4.2.3", sha256="869ca4967cd255097fd2dc31664f30607e81f5abcf5f9c89bd467dc0bf93e5aa") + version("3.0.0", sha256="df2362351280edaf2233f3b2c8eb8e6dd6c68105f152897a4cc629fa346a7396") + version("2.2.2", sha256="6ffaad40505dbe8f155049448554b54ea31d31babf74ccf6b7935bfe55eeafd8") + version("2.2.1", sha256="c8577ba1ddd5c28fd0aa7c579ae65ab990eb7cb51ecf9f8175f9251f6deb9a06") variant("shared", default=True, description="Build shared libraries") variant("kxc", default=False, when="@5:", description="Build with third derivatives") @@ -41,11 +41,10 @@ class Libxc(AutotoolsPackage, CudaPackage): conflicts("+shared +cuda", msg="Only ~shared supported with +cuda") conflicts("+cuda", when="@:4", msg="CUDA support only in libxc 5.0.0 and above") - # Remove this when the release tarballs become available for 6.0.0 and above. - with when("@6.0.0:"): - depends_on("autoconf", type="build") - depends_on("automake", type="build") - depends_on("libtool", type="build") + # Remove this if the release tarballs are available again. + depends_on("autoconf", type="build") + depends_on("automake", type="build") + depends_on("libtool", type="build") depends_on("perl", type="build") @@ -57,17 +56,6 @@ class Libxc(AutotoolsPackage, CudaPackage): when="@6.0.0", ) - patch("nvhpc-configure.patch", when="%nvhpc") - patch("nvhpc-libtool.patch", when="@develop %nvhpc") - - def url_for_version(self, version): - # The webserver at https://tddft.org/programs/libxc/download is unreliable, - # see https://gitlab.com/libxc/libxc/-/issues/453. The pre 6.0.0 release tarballs - # ar available in our source mirror, but the latest versions are not. - if version < Version("6"): - return f"https://www.tddft.org/programs/libxc/down/{version}/libxc-{version}.tar.gz" - return f"https://gitlab.com/libxc/libxc/-/archive/{version}/libxc-{version}.tar.gz" - @property def libs(self): """Libxc can be queried for the following parameters: |