diff options
| author | Satoshi Taoka <taoka@FreeBSD.org> | 1999-05-06 08:22:15 +0000 |
|---|---|---|
| committer | Satoshi Taoka <taoka@FreeBSD.org> | 1999-05-06 08:22:15 +0000 |
| commit | d05574972e8354015c6e7d70fe75309e79bf9ea2 (patch) | |
| tree | 058b38c495a60bbbc11749413226ae5a7570882f /biology/psi88/files/patch-aa | |
| parent | Add mopac and psi88 (Move mopac and psi88 from misc to biology) (diff) | |
Plotting wavefunctions (molecular orbitals) in 3D
PR: ports/8696
Submitted by: Ryo MIYAMOTO rmiya@cc.hirosaki-u.ac.jp
Notes
Notes:
svn path=/head/; revision=18534
Diffstat (limited to 'biology/psi88/files/patch-aa')
| -rw-r--r-- | biology/psi88/files/patch-aa | 116 |
1 files changed, 116 insertions, 0 deletions
diff --git a/biology/psi88/files/patch-aa b/biology/psi88/files/patch-aa new file mode 100644 index 000000000000..0dbcb2dfa792 --- /dev/null +++ b/biology/psi88/files/patch-aa @@ -0,0 +1,116 @@ +*** src/Makefile.orig Sat May 25 04:04:15 1991 +--- src/Makefile Thu Nov 12 11:20:18 1998 +*************** +*** 27,37 **** + # level and when it is working, increase the optimization level. So far + # optimization has never caused problems with this program. + # +! # SGI 4D series flags + # + f77 = f77 +! FFLAGS = -w0 -O4 -G 64 +! LFLAGS = -lfastm -lfpe -s + # + # SUN Sparc series flags version 1.3 or later compiler + # +--- 27,43 ---- + # level and when it is working, increase the optimization level. So far + # optimization has never caused problems with this program. + # +! # FreeBSD + # + f77 = f77 +! FFLAGS = -O3 -Wall +! LFLAGS = +! # +! # SGI 4D series flags +! # +! #f77 = f77 +! #FFLAGS = -w0 -O4 -G 64 +! #LFLAGS = -lfastm -lfpe -s + # + # SUN Sparc series flags version 1.3 or later compiler + # +*************** +*** 60,66 **** + # Place your G88/G90 util library definition here if you wish to + # compile chk2psi + # +! G90LIB = /usr/people/frisch/g90/libg90.a + # + # define the directory where the executables will reside + # usually /usr/local/bin or ~/bin to put it in your own directory +--- 66,72 ---- + # Place your G88/G90 util library definition here if you wish to + # compile chk2psi + # +! #G90LIB = /usr/people/frisch/g90/libg90.a + # + # define the directory where the executables will reside + # usually /usr/local/bin or ~/bin to put it in your own directory +*************** +*** 84,96 **** + ####################################################################### + # + +! all: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS) + + # + # Install in the executable directory - may need to be superuser + # depending on where you decide to put it (/usr/local/bin for instance) + # +! install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS) + mv PSI1 $(BIN) + chmod +rx $(BIN)/PSI1 + mv PSICON $(BIN) +--- 90,104 ---- + ####################################################################### + # + +! # all: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS) +! all: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS) + + # + # Install in the executable directory - may need to be superuser + # depending on where you decide to put it (/usr/local/bin for instance) + # +! #install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT chk2psi $(EXTRAS) +! install: PSI1 PSICON PSI2CT PSI2HP PSI2PS PREPLOT $(EXTRAS) + mv PSI1 $(BIN) + chmod +rx $(BIN)/PSI1 + mv PSICON $(BIN) +*************** +*** 99,106 **** + chmod +rx $(BIN)/PREPLOT + mv PSI2* $(BIN) + chmod +rx $(BIN)/PSI2* +! mv chk2psi $(BIN) +! chmod +rx $(BIN)/chk2psi + + # + # This is the Density matrix generation program (PSI1/88) +--- 107,115 ---- + chmod +rx $(BIN)/PREPLOT + mv PSI2* $(BIN) + chmod +rx $(BIN)/PSI2* +! +! # mv chk2psi $(BIN) +! # chmod +rx $(BIN)/chk2psi + + # + # This is the Density matrix generation program (PSI1/88) +*************** +*** 164,169 **** + # Clean up when done + # + clean : +! touch a.out foo.o core foo.u foo.f17 foo.22 + rm -f a.out *.o core *.u *.f17 *.f2* + +--- 173,178 ---- + # Clean up when done + # + clean : +! touch a.out foo.o core foo.u foo.f17 foo.22 + rm -f a.out *.o core *.u *.f17 *.f2* + |