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Intermediate patch for SIRIUS 7.6.1 and Libxc >=7
until a new SIRIUS release is available
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2 changed files with 19 additions and 0 deletions
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@ -119,6 +119,9 @@ case "$with_sirius" in
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# https://github.com/electronic-structure/SIRIUS/issues/854
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sed -i'' -e '1s/.*/#include <cstdint>\n&/' src/*.hpp
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# Patch SIRIUS 7.6.1 for Libxc 7.0.0
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patch -p1 src/potential/xc_functional_base.hpp <${SCRIPT_DIR}/stage8/sirius_libxc7.patch
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rm -Rf build
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mkdir build
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cd build
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16
tools/toolchain/scripts/stage8/sirius_libxc7.patch
Normal file
16
tools/toolchain/scripts/stage8/sirius_libxc7.patch
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@ -0,0 +1,16 @@
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--- a/src/potential/xc_functional_base.hpp
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+++ b/src/potential/xc_functional_base.hpp
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@@ -15,6 +15,13 @@
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#define __XC_FUNCTIONAL_BASE_HPP__
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#include <xc.h>
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+
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+/* libxc >= 7 split the functional definition in a different file from xc.h */
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+
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+#if (XC_MAJOR_VERSION >= 7)
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+#include <xc_funcs.h>
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+#endif
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+
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#include <string.h>
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#include <memory>
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#include <map>
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