libint: 2.6.0 -> 2.7.1 (#142835)

2 files changed, 16 insertions, 101 deletions

diff --git a/pkgs/development/libraries/libint/default.nix b/pkgs/development/libraries/libint/default.nix
index 64b83166ae9..dd5b26244a9 100644
--- a/pkgs/development/libraries/libint/default.nix
+++ b/pkgs/development/libraries/libint/default.nix
@@ -6,7 +6,7 @@
 
 let
   pname = "libint";
-  version = "2.6.0";
+  version = "2.7.1";
 
   meta = with lib; {
     description = "Library for the evaluation of molecular integrals of many-body operators over Gaussian functions";
@@ -23,10 +23,22 @@ let
       owner = "evaleev";
       repo = pname;
       rev = "v${version}";
-      sha256 = "0pbc2j928jyffhdp4x5bkw68mqmx610qqhnb223vdzr0n2yj5y19";
+      sha256 = "5nSeyT1DhFsA76Dt3dqYfhfBYD+iTl34O3lVeH6+OVw=";
     };
 
-    patches = [ ./fix-paths.patch ];
+    # Replace hardcoded "/bin/rm" with normal "rm"
+    postPatch = ''
+      for f in \
+        bin/ltmain.sh \
+        configure.ac \
+        src/bin/libint/Makefile \
+        src/lib/libint/Makefile.library \
+        tests/eri/Makefile \
+        tests/hartree-fock/Makefile \
+        tests/unit/Makefile; do
+          substituteInPlace $f --replace "/bin/rm" "rm"
+      done
+    '';
 
     nativeBuildInputs = [
       autoconf
@@ -56,8 +68,7 @@ let
       "--with-g12dkh-opt-am=3"
       "--enable-contracted-ints"
       "--enable-shared"
-    ] ++ lib.optional enableFMA "--enable-fma"
-      ++ lib.optional enableFortran "--enable-fortran";
+    ] ++ lib.optional enableFMA "--enable-fma";
 
     makeFlags = [ "export" ];
 
diff --git a/pkgs/development/libraries/libint/fix-paths.patch b/pkgs/development/libraries/libint/fix-paths.patch
deleted file mode 100644
index 2cf178e81f3..00000000000
--- a/pkgs/development/libraries/libint/fix-paths.patch
+++ /dev/null
@@ -1,96 +0,0 @@
-diff --git a/export/fortran/Makefile b/export/fortran/Makefile
-index 62d8711..a83edc7 100644
---- a/export/fortran/Makefile
-+++ b/export/fortran/Makefile
-@@ -1,12 +1,14 @@
--TOPDIR = ..
--SRCDIR = ..
-+TOPDIR = ../..
-+SRCDIR = ../..
- 
---include ../MakeSuffixRules
---include ../MakeVars
---include ../MakeVars.features
-+-include ../../lib/MakeSuffixRules
-+-include ../../src/bin/MakeVars
-+-include ../../src/lib/libint/MakeVars.features
- 
--FCFLAGS := -I../include -I../include/libint2 -D__COMPILING_LIBINT2=1 $(FCFLAGS)
--COMPUTE_LIB = -L../lib -lint2
-+FCFLAGS := -I../../include -I../../include/libint2 -D__COMPILING_LIBINT2=1 $(FCFLAGS)
-+COMPUTE_LIB = -L../../lib -lint2
-+
-+CXXCPP = cc -E -I../../include/libint2
- 
- .PHONY: clean distclean default make_test check_test
- 
-@@ -28,7 +30,7 @@ libint2_types_f.h: $(TOPDIR)/include/libint2.h.i
- 
- fortran_example.o: libint_f.o
- 
--fortran_incldefs.h: $(TOPDIR)/include/libint2_types.h
-+fortran_incldefs.h: $(TOPDIR)/include/libint2/libint2_types.h
- 	grep '^#' $< | grep -v '#include' > $@
- 
- fortran_example: fortran_example.o libint_f.o
-diff --git a/src/bin/libint/Makefile b/src/bin/libint/Makefile
-index 406306c..bd8a695 100644
---- a/src/bin/libint/Makefile
-+++ b/src/bin/libint/Makefile
-@@ -59,7 +59,7 @@ test: $(TESTCXXOBJ) $(LIBTARGET)
- 	$(CXX) -o $@ $(CXXFLAGS) $(LDFLAGS) $^ $(SYSLIBS)
- 
- $(LIBTARGET): $(LIBOBJ)
--	/bin/rm -f $@
-+	rm -f $@
- 	$(AR) $(ARFLAGS) $@ $(LIBOBJ)
- 	$(RANLIB) $@
- 
-@@ -102,7 +102,7 @@ ifneq ($(CXXDEPENDSUF),none)
- %.d: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< > /dev/null
- 	sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' < $(*F).$(CXXDEPENDSUF) > $(@F)
--	/bin/rm -f $(*F).$(CXXDEPENDSUF)
-+	rm -f $(*F).$(CXXDEPENDSUF)
- else
- %.d: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< | sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' > $(@F)
-diff --git a/tests/eri/Makefile b/tests/eri/Makefile
-index 6223e4f..05909dc 100644
---- a/tests/eri/Makefile
-+++ b/tests/eri/Makefile
-@@ -62,7 +62,7 @@ ifneq ($(CXXDEPENDSUF),none)
- %.d: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< > /dev/null
- 	sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' < $(*F).$(CXXDEPENDSUF) > $(@F)
--	/bin/rm -f $(*F).$(CXXDEPENDSUF)
-+	rm -f $(*F).$(CXXDEPENDSUF)
- else
- %.d: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< | sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' > $(@F)
-diff --git a/tests/hartree-fock/Makefile b/tests/hartree-fock/Makefile
-index aaebadc..4971472 100644
---- a/tests/hartree-fock/Makefile
-+++ b/tests/hartree-fock/Makefile
-@@ -95,7 +95,7 @@ ifneq ($(CXXDEPENDSUF),none)
- %.d:: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< > /dev/null
- 	sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' < $(*F).$(CXXDEPENDSUF) > $(@F)
--	/bin/rm -f $(*F).$(CXXDEPENDSUF)
-+	rm -f $(*F).$(CXXDEPENDSUF)
- else
- %.d:: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< | sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' > $(@F)
-diff --git a/tests/unit/Makefile b/tests/unit/Makefile
-index f2d9400..da9d82b 100644
---- a/tests/unit/Makefile
-+++ b/tests/unit/Makefile
-@@ -93,7 +93,7 @@ ifneq ($(CXXDEPENDSUF),none)
- %.d:: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXGENFLAGS) $< > /dev/null
- 	sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' < $(*F).$(CXXDEPENDSUF) > $(@F)
--	/bin/rm -f $(*F).$(CXXDEPENDSUF)
-+	rm -f $(*F).$(CXXDEPENDSUF)
- else
- %.d:: %.cc
- 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXGENFLAGS) $< | sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' > $(@F)