From d3cbd35bc19c03ce2153bef310d87382afdc8e10 Mon Sep 17 00:00:00 2001 From: Achim Gsell Date: Fri, 20 Sep 2019 16:42:51 +0200 Subject: [PATCH 1/2] libxc: new build-block added --- Compiler/libxc/build | 32 +++++++++++++++++++++++++++++ Compiler/libxc/files/variants.rhel6 | 1 + Compiler/libxc/modulefile | 13 ++++++++++++ 3 files changed, 46 insertions(+) create mode 100644 Compiler/libxc/build create mode 100644 Compiler/libxc/files/variants.rhel6 create mode 100644 Compiler/libxc/modulefile diff --git a/Compiler/libxc/build b/Compiler/libxc/build new file mode 100644 index 0000000..e2db2bb --- /dev/null +++ b/Compiler/libxc/build @@ -0,0 +1,32 @@ +#!/usr/bin/env modbuild + +pbuild::set_download_url "https://gitlab.com/$P/$P/-/archive/${V_PKG}/$P-${V_PKG}.tar.gz" +pbuild::add_to_group 'Compiler' +pbuild::use_autotools +pbuild::install_docfiles 'AUTHORS' +pbuild::install_docfiles 'COPYING' +pbuild::install_docfiles 'KNOWN_ISSUES' +pbuild::install_docfiles 'NEWS' +pbuild::install_docfiles 'PACKAGING' +pbuild::install_docfiles 'README' +pbuild::install_docfiles 'TODO' + +pbuild::post_prep() { + libtoolize + aclocal + autoheader + automake --add-missing + autoconf +} + +pbuild::pre_configure() { + local -r cflags="-O2 -fPIC -fp-model precise -funroll-loops -g -traceback -xHost" + local -r fcflags="-O2 -fPIC -fp-model precise -fpp -free -funroll-loops -g -traceback -xHost" + pbuild::add_configure_args "CC=${CC}" + pbuild::add_configure_args "CXX=${CXX}" + pbuild::add_configure_args "FC=${FC}" + pbuild::add_configure_args "CFLAGS=${cflags}" + pbuild::add_configure_args "CXXFLAGS=${cflags}" + pbuild::add_configure_args "FCFLAGS=${fcflags}" +} + diff --git a/Compiler/libxc/files/variants.rhel6 b/Compiler/libxc/files/variants.rhel6 new file mode 100644 index 0000000..662e117 --- /dev/null +++ b/Compiler/libxc/files/variants.rhel6 @@ -0,0 +1 @@ +libxc/4.3.4 unstable intel/19.4 b:autoconf/2.69 b:automake/1.16.1 b:libtool/2.4.6-1 diff --git a/Compiler/libxc/modulefile b/Compiler/libxc/modulefile new file mode 100644 index 0000000..361154a --- /dev/null +++ b/Compiler/libxc/modulefile @@ -0,0 +1,13 @@ +#%Module1.0 + +module-whatis "library of exchange-correlation functionals for density-functional theory" +module-url "https://gitlab.com/libxc/libxc" +module-license "Mozilla Public License Version 2.0" +module-maintainer "Achim Gsell " +module-help " +Libxc is a library of exchange-correlation functionals for +density-functional theory. The aim is to provide a portable, well +tested and reliable set of exchange and correlation functionals that +can be used by a variety of programs. +" + From 0822d517fde98d3f883df784ea6c5ae64d6e3a23 Mon Sep 17 00:00:00 2001 From: Achim Gsell Date: Mon, 23 Sep 2019 18:18:41 +0200 Subject: [PATCH 2/2] libxc: 4.3.4 released as stable --- Compiler/libxc/files/variants.rhel6 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Compiler/libxc/files/variants.rhel6 b/Compiler/libxc/files/variants.rhel6 index 662e117..945899d 100644 --- a/Compiler/libxc/files/variants.rhel6 +++ b/Compiler/libxc/files/variants.rhel6 @@ -1 +1 @@ -libxc/4.3.4 unstable intel/19.4 b:autoconf/2.69 b:automake/1.16.1 b:libtool/2.4.6-1 +libxc/4.3.4 stable intel/19.4 b:autoconf/2.69 b:automake/1.16.1 b:libtool/2.4.6-1