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science/ocean: Remove port

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Niche use case, not aligned with broad server application needs
This commit is contained in:
Bastard Operator from Hell
2025-04-27 21:01:42 +02:00
parent 34096c245d
commit 6c35f08fe1
11 changed files with 1 additions and 291 deletions
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.portsignore
+1
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@@ -4940,6 +4940,7 @@ science/nest
science/netcdf-cxx
science/nifticlib
science/nlcglib
science/ocean
science/openbabel
science/openems
science/openmc
science/Makefile
-1
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@@ -61,7 +61,6 @@
SUBDIR += netcdf-fortran
SUBDIR += nwchem
SUBDIR += nwchem-data
SUBDIR += ocean
SUBDIR += octopus
SUBDIR += openkim-models
SUBDIR += openmolcas
science/ocean/Makefile
-59
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@@ -1,59 +0,0 @@
PORTNAME= ocean
DISTVERSIONPREFIX= v
DISTVERSION= 3.1.0
PORTREVISION= 4
CATEGORIES= science
PKGNAMESUFFIX= -spectroscopy-code
MAINTAINER= yuri@FreeBSD.org
COMMENT= BSE code for core spectroscopy
WWW= https://github.com/times-software/OCEAN
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/License
LIB_DEPENDS= libfftw3.so:math/fftw3 \
libopenblas.so:math/openblas
RUN_DEPENDS= abinit>0:science/abinit \
quantum-espresso>0:science/quantum-espresso
USES= fortran gmake localbase perl5 shebangfix
USE_PERL5= build run
SHEBANG_GLOB= *.pl
USE_GITHUB= yes
GH_ACCOUNT= times-software
GH_PROJECT= ${PORTNAME:tu}
MAKE_ARGS= MPIFC=${MPIFC} \
MPI_HOME=${MPI_HOME} \
MPI_LIBS="${MPI_LIBS}"
MAKE_JOBS_UNSAFE= yes # parallel build fails, see https://github.com/times-software/OCEAN/issues/327
BINARY_ALIAS= make=${GMAKE}
OPTIONS_SINGLE= MPI
OPTIONS_SINGLE_MPI= MPICH OPENMPI
OPTIONS_DEFAULT= OPENMPI
MPICH_USES= mpi:mpich
OPENMPI_USES= mpi:openmpi
post-extract:
# copy in the Makefile.arch file
@${LN} -s ${FILESDIR}/Makefile.arch ${WRKSRC}/
# set execution flag on all *.pl files
@${FIND} ${WRKSRC} -name "*.pl" | ${XARGS} ${CHMOD} +x
post-patch:
# patch the bash path (but run_examples.pl is currently dysfunctional, according to README)
@${REINPLACE_CMD} -i '' -e 's|#!/bin/bash|#!${LOCALBASE}/bin/bash|' ${WRKSRC}/EXAMPLE/run_examples.pl
post-install:
# strip binaries
@${STRIP_CMD} ${STAGEDIR}${PREFIX}/bin/*.x
.include <bsd.port.mk>
science/ocean/distinfo
-3
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@@ -1,3 +0,0 @@
TIMESTAMP = 1697526501
SHA256 (times-software-OCEAN-v3.1.0_GH0.tar.gz) = 0f3a0a575c53b0bd40e63b68d4459cd90bc5db115a51364a771b5e882362ef55
SIZE (times-software-OCEAN-v3.1.0_GH0.tar.gz) = 8881276
science/ocean/files/Makefile.arch
-29
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@@ -1,29 +0,0 @@
MPIFORT=${MPIFC}
OPTIONS=-I${LOCALBASE}/include ${FCFLAGS}
# enables fortran preprocessor
OPTIONS += -cpp
# Currently the bse solver needs MPI and BLAS
OPTIONS += -DBLAS -DMPI
# Some installations of MPI don't have latest calls
# ( MPI_IALLREDUCE, etc. )
OPTIONS += -D__OLD_MPI
OPTIONS += -fallow-argument-mismatch
OPTIONS += -ffree-line-length-512
OPTIONS += -D__FFTW3
FFTWI = -I$(PREFIX)/include/
FFTWL = -L$(PREFIX)/lib/ -lfftw3
BLAS = -L$(PREFIX) -lopenblas
# Install Directory
INSTDIR = $(DESTDIR)$(PREFIX)/bin
MPI_LDFLAGS= ${MPI_LIBS}
science/ocean/files/patch-Makefile
-13
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@@ -1,13 +0,0 @@
--- Makefile.orig 2022-10-30 02:03:01 UTC
+++ Makefile
@@ -36,8 +36,8 @@ clean:
install:
mkdir -p $(INSTDIR)
- cp $(SCRIPTS) $(AUX) $(INSTDIR)
- cp $(AUX_EXE) $(INSTDIR)
+ #cp $(SCRIPTS) $(AUX) $(INSTDIR)
+ #cp $(AUX_EXE) $(INSTDIR)
cd Common; make install
cd DFT; make install
cd PREP; make install
science/ocean/files/patch-OCEAN2_Makefile
-11
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@@ -1,11 +0,0 @@
--- OCEAN2/Makefile.orig 2022-10-30 02:16:56 UTC
+++ OCEAN2/Makefile
@@ -35,7 +35,7 @@ OCEAN_constants.o: OCEAN_constants.f90 AI_kinds.o
$(MPIFORT) $(FLAGS) -c -o OCEAN_constants.o OCEAN_constants.f90
ocean.x: $(OCEANOBJS)
- $(MPIFORT) $(LDFLAGS) -o ocean.x $(OCEANOBJS) $(FFTWL) $(BLAS) $(OPENMP) $(FFTWL)
+ $(MPIFORT) $(MPI_LDFLAGS) $(LDFLAGS) -o ocean.x $(OCEANOBJS) $(FFTWL) $(BLAS) $(OPENMP) $(FFTWL)
o_spect.x: o_spect.f90 AI_kinds.o gamfcn.o OCEAN_constants.o
$(MPIFORT) $(FLAGS) -o o_spect.x o_spect.f90 AI_kinds.o gamfcn.o OCEAN_constants.o ../CNBSE/zcain/zobj/fancyvector.o
science/ocean/files/patch-PREP_src_makefile
-11
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@@ -1,11 +0,0 @@
--- PREP/src/makefile.orig 2022-10-30 02:22:15 UTC
+++ PREP/src/makefile
@@ -43,7 +43,7 @@ ocean_prep.o: ../../Modules/ai_kinds.mod ../../Modules
ocean_prep.x: $(OBJS)
- $(MPIFORT) $(OPTIONS) -o ocean_prep.x $(OBJS) $(MODOBJS) $(FFTWL) $(BLAS) $(FFTWL)
+ $(MPIFORT) $(MPI_LDFLAGS) $(OPTIONS) -o ocean_prep.x $(OBJS) $(MODOBJS) $(FFTWL) $(BLAS) $(FFTWL)
clean:
science/ocean/files/patch-SCREEN_src_makefile
-11
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@@ -1,11 +0,0 @@
--- SCREEN/src/makefile.orig 2022-10-30 02:27:41 UTC
+++ SCREEN/src/makefile
@@ -99,7 +99,7 @@ screen_driver.o: screen_driver.f90 ../../Modules/ai_ki
screen_chi_driver.mod screen_centralpotential.mod ../../Modules/screen_opf.mod ../../Modules/screen_timekeeper.mod
screen_driver.x: $(OBJS)
- $(MPIFORT) $(OPTIONS) -o screen_driver.x $(OBJS) $(MODOBJS) $(FFTWL) $(BLAS) $(FFTWL)
+ $(MPIFORT) $(MPI_LDFLAGS) $(OPTIONS) -o screen_driver.x $(OBJS) $(MODOBJS) $(FFTWL) $(BLAS) $(FFTWL)
clean:
science/ocean/pkg-descr
-10
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@@ -1,10 +0,0 @@
OCEAN is BSE code for core spectroscopy.
OCEAN is a code for calculating near-edge x-ray spectra using the Bethe-Salpeter
equation (BSE) is briefly reviewed. The code is capable of calculating UV/Vis,
near-edge x-ray absorption or non-resonant scattering, and resonant inelastic
x-ray scattering, requiring only the structure of the material as input.
Improved default behavior and reduced input requirements are detailed as well as
new capabilities, such as incorporation of final-state-dependent broadening,
finite-temperature dependence, and flexibility in the density-functional theory
exchange-correlation potentials.
science/ocean/pkg-plist
-143
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@@ -1,143 +0,0 @@
bin/ABIdriver.pl
bin/AbinitDriver.pl
bin/EvenQuadHalf.txt
bin/OBF_screen_multi.pl
bin/OBF_wfn.pl
bin/OCEANcompare.pl
bin/ONCVPSP-PBE-PDv0.4-standard.json
bin/ONCVPSP-PBE-PDv0.4-stringent.json
bin/ONCVPSP-PBEsol-PDv0.4-standard.json
bin/ONCVPSP-PBEsol-PDv0.4-stringent.json
bin/ONCVPSP-PW-PDv0.4-standard.json
bin/ONCVPSP-PW-PDv0.4-stringent.json
bin/Pquadrature
bin/QEdriver.pl
bin/avec.x
bin/avg.x
bin/builder.x
bin/bvecs.pl
bin/cainmultip.x
bin/cks.x
bin/cnbse.pl
bin/cnbse_mpi.pl
bin/conugtoux.x
bin/core_shift.pl
bin/defaults.h
bin/defaults.pl
bin/dendip.pl
bin/dft.pl
bin/dotter.x
bin/dressximunu.x
bin/edges.pl
bin/eps2exc.x
bin/exciton_plot.x
bin/extractPsp.pl
bin/fhi2eric.x
bin/gauss16
bin/getnval.x
bin/gvecs2.pl
bin/hfk.x
bin/hqp
bin/inputDatabase.pl
bin/jdftx_dendip.pl
bin/jdftx_density.x
bin/jdftx_energy.x
bin/kgen2.x
bin/kkconv.x
bin/lqp
bin/makeacell.x
bin/makeatompp.x
bin/makecoords.x
bin/melcalc.x
bin/meljtv.x
bin/mkrbfile_mult.x
bin/mkximunu.x
bin/mpi_avg.x
bin/mpse.pl
bin/nbse.pl
bin/nelectron.x
bin/o_spect.x
bin/ocean.pl
bin/ocean.x
bin/ocean_prep.x
bin/ofermi.pl
bin/oparse.h
bin/oparse.json
bin/oparse.type.json
bin/opf.pl
bin/orthog.x
bin/par_ab2.pl
bin/par_dendip.pl
bin/par_ocean.pl
bin/parse
bin/parse.pl
bin/parseJSON.pl
bin/pawsetup.x
bin/photon.pl
bin/pp.pl
bin/prep.pl
bin/projectVxc.pl
bin/projectW.pl
bin/pspDatabase.pl
bin/psp_parser.pl
bin/qe2rhoofr.pl
bin/qe62band.pl
bin/qe_data_file.pl
bin/qe_dendip.pl
bin/qeband.pl
bin/rhoofg.x
bin/rixs.pl
bin/rixs_plane.x
bin/rscombine.x
bin/screen.pl
bin/screen_driver.x
bin/selfenergy.x
bin/setup2.x
bin/shifted_conugtoux.x
bin/spec_average.x
bin/specpnt
bin/specpnt.10
bin/specpnt.11
bin/specpnt.12
bin/specpnt.13
bin/specpnt.14
bin/specpnt.15
bin/specpnt.16
bin/specpnt.17
bin/specpnt.18
bin/specpnt.19
bin/specpnt.20
bin/specpnt.21
bin/specpnt.22
bin/specpnt.23
bin/specpnt.24
bin/specpnt.25
bin/specpnt.26
bin/specpnt.27
bin/specpnt.28
bin/specpnt.29
bin/specpnt.30
bin/specpnt.31
bin/specpnt.32
bin/specpnt.33
bin/specpnt.34
bin/specpnt.35
bin/specpnt.36
bin/specpnt.37
bin/specpnt.38
bin/specpnt.39
bin/specpnt.40
bin/specpnt.5
bin/specpnt.6
bin/specpnt.7
bin/specpnt.8
bin/specpnt.9
bin/spect_range.pl
bin/sphpts
bin/structure.pl
bin/upf2shirley.pl
bin/val_exciton_plot.x
bin/validate_opts.pl
bin/vhommod.x
bin/wfconvert.x
bin/xipps.x