Skip to content

Commit

Permalink
Wrap parmchk2 and parmchk to eliminate AMBERHOME requirements for tho…
Browse files Browse the repository at this point in the history
…se programs

as well.
  • Loading branch information
swails committed Jun 4, 2014
1 parent 0962403 commit 34e748b
Show file tree
Hide file tree
Showing 4 changed files with 35 additions and 5 deletions.
2 changes: 1 addition & 1 deletion Makefile
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ include config.h

PROGS=antechamber acdoctor am1bcc antechamber_pvt atomtype bondtype charmmgen \
database espgen parmcal parmchk parmchk2 prepgen residuegen sqm teLeap \
tleap translate
tleap translate parmchk_pvt parmchk2_pvt

all: prep libs
$(MAKE) antechamber
Expand Down
16 changes: 12 additions & 4 deletions antechamber/Makefile
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,9 @@ PROGS = \
$(BINDIR)/espgen$(SFX) \
$(BINDIR)/parmcal$(SFX) \
$(BINDIR)/parmchk$(SFX) \
$(BINDIR)/parmchk_pvt$(SFX) \
$(BINDIR)/parmchk2$(SFX) \
$(BINDIR)/parmchk2_pvt$(SFX) \
$(BINDIR)/prepgen$(SFX) \
$(BINDIR)/residuegen$(SFX) \
$(BINDIR)/respgen$(SFX) \
Expand Down Expand Up @@ -270,11 +272,17 @@ $(BINDIR)/espgen$(SFX): espgen.o
$(BINDIR)/parmcal$(SFX): parmcal.o
$(CC) $(CFLAGS) $(AMBERCFLAGS) $(LDFLAGS) $(AMBERLDFLAGS) parmcal.o $(LM) -o $(BINDIR)/parmcal$(SFX)

$(BINDIR)/parmchk$(SFX): parmchk.o
$(CC) $(CFLAGS) $(AMBERCFLAGS) $(LDFLAGS) $(AMBERLDFLAGS) parmchk.o $(LM) -o $(BINDIR)/parmchk$(SFX)
$(BINDIR)/parmchk$(SFX):
/bin/cp -L parmchk $(BINDIR)

$(BINDIR)/parmchk2$(SFX): parmchk2.o
$(CC) $(CFLAGS) $(AMBERCFLAGS) $(LDFLAGS) $(AMBERLDFLAGS) parmchk2.o $(LM) -o $(BINDIR)/parmchk2$(SFX)
$(BINDIR)/parmchk_pvt$(SFX): parmchk.o
$(CC) $(CFLAGS) $(AMBERCFLAGS) $(LDFLAGS) $(AMBERLDFLAGS) parmchk.o $(LM) -o $(BINDIR)/parmchk_pvt$(SFX)

$(BINDIR)/parmchk2$(SFX):
/bin/cp -L parmchk2 $(BINDIR)

$(BINDIR)/parmchk2_pvt$(SFX): parmchk2.o
$(CC) $(CFLAGS) $(AMBERCFLAGS) $(LDFLAGS) $(AMBERLDFLAGS) parmchk2.o $(LM) -o $(BINDIR)/parmchk2_pvt$(SFX)

$(BINDIR)/parmjoin$(SFX): parmjoin.o
$(CC) $(CFLAGS) $(AMBERCFLAGS) $(LDFLAGS) $(AMBERLDFLAGS) parmjoin.o -o $(BINDIR)/parmjoin$(SFX)
Expand Down
11 changes: 11 additions & 0 deletions antechamber/parmchk
Original file line number Diff line number Diff line change
@@ -0,0 +1,11 @@
#!/bin/sh

# Shell script to wrap parmchk so it knows where to find the necessary data
# files

amberhome=`dirname $0`

# Point AMBERHOME to the location that has dat/leap
export AMBERHOME="$amberhome/.."

`dirname $0`/parmchk_pvt $@
11 changes: 11 additions & 0 deletions antechamber/parmchk2
Original file line number Diff line number Diff line change
@@ -0,0 +1,11 @@
#!/bin/sh

# Shell script to wrap parmchk2 so it knows where to find the necessary data
# files

amberhome=`dirname $0`

# Point AMBERHOME to the location that has dat/leap
export AMBERHOME="$amberhome/.."

`dirname $0`/parmchk2_pvt $@

0 comments on commit 34e748b

Please sign in to comment.