working on R dist

This commit is contained in:
Charlton, Scott R 2022-03-26 09:58:00 -07:00
parent 6d34a2a8cb
commit 42cd779af8
5 changed files with 119 additions and 39 deletions

27
.gitignore vendored
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@ -21,23 +21,24 @@
/libx64
/x64
# dist files
**/*.dist
doc/NOTICE
doc/README
doc/RELEASE
# TIMESTAMP files
**/*.TIMESTAMP
# /R/
/R/Amm.ascii
/R/iso.ascii
/R/llnl.ascii
/R/minteq.ascii
/R/minteq.v4.ascii
/R/phreeqc.ascii
/R/pitzer.ascii
/R/sit.ascii
/R/wateq4f.ascii
/R/phreeqc.Rcheck
/R/build-databases.Rout
/R/build-examples.Rout
/R/*.tar.gz
/R/*.ascii
/R/.RData
/R/*.Rout
/R/phreeqc.Rcheck
# /R/phreeqc/
/R/phreeqc/NAMESPACE
/R/phreeqc
# /R/phreeqc/data/
/R/phreeqc/data/csv.RData

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@ -1,18 +1,18 @@
Package: phreeqc
Version: @VERSION@
Title: R Interface to Geochemical Modeling Software
Version: @VERSION@
License: GPL-3
NeedsCompilation: yes
Depends:
R (>= 3.0)
Author: S.R. Charlton, D.L. Parkhurst, and C.A.J. Appelo, with contributions
from D. Gillespie for Chipmunk BASIC and S.D. Cohen, A.C. Hindmarsh,
R. Serban, D. Shumaker, and A.G. Taylor for CVODE/SUNDIALS
Depends: R (>= 3.5.0)
Author: S.R. Charlton [aut, cre], D.L. Parkhurst [aut], and C.A.J. Appelo [aut], with contributions
from D. Gillespie [ctb] for Chipmunk BASIC and S.D. Cohen [ctb], A.C. Hindmarsh [ctb],
R. Serban [ctb], D. Shumaker [ctb], and A.G. Taylor [ctb] for CVODE/SUNDIALS
URL: https://www.usgs.gov/software/phreeqc-version-3
Description: A geochemical modeling program developed by the US Geological
Survey that is designed to perform a wide variety of aqueous geochemical
calculations, including speciation, batch-reaction, one-dimensional
reactive-transport, and inverse geochemical calculations.
Maintainer: S.R. Charlton <charlton@usgs.gov>
BugReports: https://github.com/usgs-coupled/iphreeqc/issues
LazyData: yes
Encoding: UTF-8

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@ -269,7 +269,7 @@ DATA = \
$(DATADIR)/databases.rda \
$(DATADIR)/examples.rda
all: export_sed $(PSRC) $(XSRC) $(DATA) $(MAN)/phreeqc-package.Rd
all: $(PSRC) $(XSRC) $(DATA) $(MAN)/phreeqc-package.Rd
$(DATADIR)/databases.rda : $(DBS) build-databases.R
rm -f .RData
@ -290,12 +290,16 @@ $(DATADIR)/examples.rda : $(EXS) build-examples.R
R --no-save --no-restore CMD BATCH build-examples.R
rm -f .RData
roxygenize $(MAN)/phreeqc-package.Rd : phreeqc/R/phreeqc.R
rm -f $(RDFILES)
rm -f .RData
R --no-save --no-restore CMD BATCH roxygenize.R
touch $(MAN)/phreeqc-package.Rd
document : $(MAN)/phreeqc-package.Rd
$(MAN)/phreeqc-package.Rd : $(TOPDIR)/R/phreeqc.R $(TOPDIR)/DESCRIPTION $(TOPDIR)/NAMESPACE
rm -f $(RDFILES)
Rscript -e 'devtools::document("phreeqc")'
build : phreeqc_$(VERSION).tar.gz
phreeqc_$(VERSION).tar.gz : $(MAN)/phreeqc-package.Rd
Rscript -e 'devtools::build("phreeqc")'
##$(PSRC): $(DEST)
@ -821,28 +825,52 @@ $(INST)/ex2 : ../phreeqc3-examples/ex2
check : all
R CMD check --as-cran phreeqc
#check_built : phreeqc_$(VERSION).tar.gz
check_built : phreeqc_$(VERSION).tar.gz
Rscript -e "devtools::check_built(path=\"phreeqc_$(VERSION).tar.gz\")"
valgrind : install
R -d "valgrind --tool=memcheck --leak-check=full" --vanilla < valgrind.R 2>&1 | tee valgrind.full.out
echo R -d "valgrind --tool=memcheck --leak-check=full" --vanilla < valgrind.R 2>&1 | tee valgrind.full.out
install : all
R CMD INSTALL --build phreeqc
echo R CMD INSTALL --build phreeqc
$(TOPDIR)/NAMESPACE : NAMESPACE
$(CP) $< $@
phreeqc/R/phreeqc.R : export_sed
phreeqc/DESCRIPTION : export_sed
export_sed :
sed \
-e 's/@VERSION@/$(VERSION)/g' \
< DESCRIPTION.in > $(TOPDIR)/DESCRIPTION
$(TOPDIR)/R/phreeqc.R : phreeqc.R.in phreeqc.R-$(VERSION)_$(RELEASE_DATE).TIMESTAMP
rm phreeqc.R-*.TIMESTAMP
sed \
-e 's/@VERSION@/$(VERSION)/g' \
-e 's/@RELEASE_DATE@/$(RELEASE_DATE)/g' \
< phreeqc.R.in > $(TOPDIR)/R/phreeqc.R
touch phreeqc.R-$(VERSION)_$(RELEASE_DATE).TIMESTAMP
build : all
R CMD build --resave-data phreeqc
phreeqc.R-$(VERSION)_$(RELEASE_DATE).TIMESTAMP :
touch phreeqc.R-$(VERSION)_$(RELEASE_DATE).TIMESTAMP
$(TOPDIR)/DESCRIPTION : DESCRIPTION.in DESCRIPTION-$(VERSION).TIMESTAMP
rm DESCRIPTION-*.TIMESTAMP
sed \
-e 's/@VERSION@/$(VERSION)/g' \
< DESCRIPTION.in > $(TOPDIR)/DESCRIPTION
touch DESCRIPTION-$(VERSION).TIMESTAMP
DESCRIPTION-$(VERSION).TIMESTAMP :
touch DESCRIPTION-$(VERSION).TIMESTAMP
# export_sed :
# sed \
# -e 's/@VERSION@/$(VERSION)/g' \
# < DESCRIPTION.in > $(TOPDIR)/DESCRIPTION
# sed \
# -e 's/@VERSION@/$(VERSION)/g' \
# -e 's/@RELEASE_DATE@/$(RELEASE_DATE)/g' \
# < phreeqc.R.in > $(TOPDIR)/R/phreeqc.R
# build : all
# R CMD build --resave-data phreeqc
uninstall :
R CMD REMOVE phreeqc

45
R/NAMESPACE Normal file
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@ -0,0 +1,45 @@
# Generated by roxygen2: do not edit by hand
export(phrAccumulateLine)
export(phrClearAccumulatedLines)
export(phrGetAccumulatedLines)
export(phrGetComponentList)
export(phrGetDumpFileName)
export(phrGetDumpFileOn)
export(phrGetDumpStrings)
export(phrGetDumpStringsOn)
export(phrGetErrorFileName)
export(phrGetErrorFileOn)
export(phrGetErrorStrings)
export(phrGetErrorStringsOn)
export(phrGetLogFileName)
export(phrGetLogFileOn)
export(phrGetLogStrings)
export(phrGetLogStringsOn)
export(phrGetOutputFileName)
export(phrGetOutputFileOn)
export(phrGetOutputStrings)
export(phrGetOutputStringsOn)
export(phrGetSelectedOutput)
export(phrGetSelectedOutputFileName)
export(phrGetWarningStrings)
export(phrLoadDatabase)
export(phrLoadDatabaseString)
export(phrRunAccumulated)
export(phrRunFile)
export(phrRunString)
export(phrSetDumpFileName)
export(phrSetDumpFileOn)
export(phrSetDumpStringsOn)
export(phrSetErrorFileName)
export(phrSetErrorFileOn)
export(phrSetErrorStringsOn)
export(phrSetLogFileName)
export(phrSetLogFileOn)
export(phrSetLogStringsOn)
export(phrSetOutputFileName)
export(phrSetOutputFileOn)
export(phrSetOutputStringsOn)
export(phrSetSelectedOutputFileName)
export(phrSetSelectedOutputFileOn)
useDynLib(phreeqc, .registration = TRUE)

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@ -9,6 +9,13 @@ fi
DATE=$(date -d $DATE --rfc-3339=date)
export DATE
#
# create directories
#
mkdir -p R/phreeqc/R
mkdir -p R/phreeqc/src/phreeqcpp
mkdir -p R/phreeqc/data
#
# set VER
#
@ -44,5 +51,4 @@ export REL
# sed files
/bin/sh jenkins-dist.sh -v ${VER} -r ${REL} -d ${DATE} -pr ${TAG}
cd R
make VERSION=${VER} RELEASE_DATE=${DATE} check
make VERSION=${VER} RELEASE_DATE=${DATE} build
make VERSION=${VER} RELEASE_DATE=${DATE} check_built