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libxc: Fix compilation after distribution changes. (#44206)

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The release tarballs are not available anymore which means autoconf, automake and libtool are always needed.

The NVHPC specific patches don't make sense anymore being that the patched files are not distributed in the new tar files.
This commit is contained in:
Rémi Lacroix 2024-05-17 14:52:03 +02:00 committed by GitHub
parent 4696459d2d
commit 453900c884
No known key found for this signature in database
GPG Key ID: B5690EEEBB952194
3 changed files with 22 additions and 186 deletions
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75
var/spack/repos/builtin/packages/libxc/nvhpc-configure.patch
View File

@ -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' ;;

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

@ -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

56
var/spack/repos/builtin/packages/libxc/package.py
View File

@ -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: