From ec853626b72f671a8a201bb5472680a9801b3f89 Mon Sep 17 00:00:00 2001 From: Andrew Ammerlaan Date: Sat, 19 Feb 2022 14:58:05 +0100 Subject: sci-chemistry/molden: add version 6.9 Bug: https://bugs.gentoo.org/831519 Bug: https://bugs.gentoo.org/822510 Bug: https://bugs.gentoo.org/775626 Bug: https://bugs.gentoo.org/610968 Bug: https://bugs.gentoo.org/534712 Closes: https://bugs.gentoo.org/721290 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan --- .../molden/files/molden-6.9-ldflags.patch | 87 ++++++++++++++++++++++ 1 file changed, 87 insertions(+) create mode 100644 sci-chemistry/molden/files/molden-6.9-ldflags.patch (limited to 'sci-chemistry/molden/files') diff --git a/sci-chemistry/molden/files/molden-6.9-ldflags.patch b/sci-chemistry/molden/files/molden-6.9-ldflags.patch new file mode 100644 index 000000000000..9e8258aeacd7 --- /dev/null +++ b/sci-chemistry/molden/files/molden-6.9-ldflags.patch @@ -0,0 +1,87 @@ +diff --git a/makefile b/makefile +index f71a20df..564f9f4e 100644 +--- a/makefile ++++ b/makefile +@@ -299,11 +299,11 @@ src/xwin.o: src/xwin.c src/rots.h + src/xwingl.o: src/xwin.c src/rots.h + + molden: $(OBJS) src/mpdum.o src/xwin.o +- $(LDR) -o molden $(OBJS) src/mpdum.o src/xwin.o $(LIBS) ++ $(LDR) $(LDFLAGS) -o molden $(OBJS) src/mpdum.o src/xwin.o $(LIBS) + mv molden bin/molden + + gmolden: $(OBJS) src/mpdum.o src/xwingl.o +- $(LDR) -fno-builtin -o gmolden $(OBJS) src/mpdum.o src/xwingl.o $(LIBSG) ++ $(LDR) $(LDFLAGS) -fno-builtin -o gmolden $(OBJS) src/mpdum.o src/xwingl.o $(LIBSG) + mv gmolden bin/gmolden + + ambfor/ambfor: src/ambfor/*.f src/ambfor/*.c +@@ -322,14 +322,14 @@ surf/surf: src/surf/*.h src/surf/*.c + # noxwin will not work as long as the old ocglbck calls arent in dummys + + noxwin: $(OBJS) $(DOBJ) src/mpdum.o +- $(LDR) -o molden $(OBJS) $(DOBJ) src/mpdum.o -lm ++ $(LDR) $(LDFLAGS) -o molden $(OBJS) $(DOBJ) src/mpdum.o -lm + mv molden bin/molden.noxwin + + # This version allows the fitting of multipole moments to the electrostatic + # pontential + + molden.mpfit: $(OBJS) src/mpolefit.o src/xwinmp.o +- $(LDR) -o molden $(OBJS) src/mpolefit.o src/xwinmp.o $(LIBS) ++ $(LDR) $(LDFLAGS) -o molden $(OBJS) src/mpolefit.o src/xwinmp.o $(LIBS) + mv molden bin/molden.mpfit + + src/xwinmp.o: src/xwin.c +@@ -340,18 +340,18 @@ src/xwingl.o: src/xwin.c + $(CC) $(CFLAGS) -DDOGL -c src/xwin.c -o src/xwingl.o + + unmullik: src/unmullik.o +- $(LDR) -o bin/unmullik src/unmullik.o ++ $(LDR) $(LDFLAGS) -o bin/unmullik src/unmullik.o + + # short_wrl removes redundant vertices from molden's VRML2 files + # with the courtesy of Andreas Klamt of COSMOSlogic + # + short_wrl: src/short_wrl.o +- $(LDR) -o bin/short_wrl src/short_wrl.o ++ $(LDR) $(LDFLAGS) -o bin/short_wrl src/short_wrl.o + + # conversion of CADPAC output to molden format + + cad2mol: src/cad2mol.o +- $(LDR) -o bin/cad2mol src/cad2mol.o ++ $(LDR) $(LDFLAGS) -o bin/cad2mol src/cad2mol.o + + clean: + rm -f src/$(OBJS) src/mpdum.o src/xwin.o src/xwingl.o bin/molden bin/gmolden bin/ambfor bin/ambmd bin/surf src/ambfor/*.o src/surf/*.o +diff --git a/src/ambfor/makefile b/src/ambfor/makefile +index 9938527e..5de7c65e 100644 +--- a/src/ambfor/makefile ++++ b/src/ambfor/makefile +@@ -50,10 +50,10 @@ mpi: FFLAGS = -c -g -ffast-math -funroll-loops -O3 + mpi: ambfor.mpi ambmd.mpi + + ambfor: ambfor.o qvdw.o alloc.o optimise.o lbfgs.o $(OBJS) +- $(LDR) -o ambfor ambfor.o qvdw.o alloc.o optimise.o lbfgs.o $(OBJS) $(LIBS) ++ $(LDR) $(LDFLAGS) -o ambfor ambfor.o qvdw.o alloc.o optimise.o lbfgs.o $(OBJS) $(LIBS) + + ambmd: md.o verlet.o qvdw.o allocmd.o $(OBJS) +- $(LDR) -o ambmd md.o verlet.o qvdw.o allocmd.o $(OBJS) $(LIBS) ++ $(LDR) $(LDFLAGS) -o ambmd md.o verlet.o qvdw.o allocmd.o $(OBJS) $(LIBS) + + ambfor.o: ambfor.f + ${FC} -c -g -ffast-math -funroll-loops -o ambfor.o ambfor.f +diff --git a/src/surf/Makefile b/src/surf/Makefile +index 54b7af8e..f216c9eb 100644 +--- a/src/surf/Makefile ++++ b/src/surf/Makefile +@@ -25,7 +25,7 @@ OBJS = surf.o io.o compute.o dual.o utils.o lp.o chull.o tessel_cases.o \ + + # make objects + surf: $(OBJS) Makefile +- $(CC) $(CFLAGS) $(OBJS) -o surf $(LINCLUDE) ++ $(CC) $(CFLAGS) $(OBJS) -o surf $(LINCLUDE) $(LDFLAGS) + + lint: + lint $(INCLUDE) $(SRCS) -- cgit v1.2.3-65-gdbad