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authorV3n3RiX <venerix@koprulu.sector>2024-12-07 02:07:26 +0000
committerV3n3RiX <venerix@koprulu.sector>2024-12-07 02:07:26 +0000
commit2198f8593ae0312add1bdccb49edfcb935e5f8a6 (patch)
tree67d79ffd7e91cc3858d188c49a65f46860a9bac7 /sci-chemistry/molden
parentd285f0ab4ab38d4ea1cd0757a465db5f06764e06 (diff)
gentoo auto-resync : 07:12:2024 - 02:07:26
Diffstat (limited to 'sci-chemistry/molden')
-rw-r--r--sci-chemistry/molden/Manifest4
-rw-r--r--sci-chemistry/molden/files/molden-6.9-ldflags.patch87
-rw-r--r--sci-chemistry/molden/metadata.xml8
-rw-r--r--sci-chemistry/molden/molden-6.9-r1.ebuild77
4 files changed, 0 insertions, 176 deletions
diff --git a/sci-chemistry/molden/Manifest b/sci-chemistry/molden/Manifest
deleted file mode 100644
index 3a4aa389e311..000000000000
--- a/sci-chemistry/molden/Manifest
+++ /dev/null
@@ -1,4 +0,0 @@
-AUX molden-6.9-ldflags.patch 3244 BLAKE2B d5ddd71bade94310d9aaebb71c49dd138af46abbf65069920cfdc3b204cdb7fe21ce049bed90faeaf23da3ec5b9a1121bcab97d012e9ff8af9abdf5619953299 SHA512 2a8235c1bd07aff5ce9fb79d5a6b09353c63bb9fc157d7fe1ada397e567018f3052286a93a04df13573f2e561a6c1e302ee91822338c024e70654ce7dec488bd
-DIST molden6.9.tar.gz 8536291 BLAKE2B f50fd9c6303d215f3b1ea73136a8ecada07102a33cfc5831c412341731d00bd166f59bc260615d4a96c59d50a6a308087f02b637f8a8d36bf19f256ac407ba72 SHA512 dbb4a602f2957d0b1d5afb8748fb8ad012a41fb0dfa816b78e4d2748ea78ee39251846a549fce4b276641d4838a336ecd9cf02b92fcf9739adeb25bb550656ec
-EBUILD molden-6.9-r1.ebuild 1491 BLAKE2B b01b98c504dd7de6ae74864f6ad62b67fc36a0c802295db9e125626c3abb88c028451750bc175de6a9a4b999c91ad87e4c4a157ce446eb8fc95def9154b9e719 SHA512 7d1b31962697cefebb8b43e50bf0bbf59cbd775e19e2563205c7f8f74f06e2a8f92c7e144350a84339d2c5a666c13f6aab6ba7748b4309162b1685649b6a3a20
-MISC metadata.xml 272 BLAKE2B 531e98b72776bbe9126811b70943add0f6f43141b01cb75b17ac2c8d1cfb6a9b349022fd411894d2b8eeb0612a73db10aed4ba71f9624bd6dbd172a05fca2c76 SHA512 04f5575703aaaa95e575460ae3de428d3da173b3b741ab52b4aad31e381fef78b325f49f99622ec26a65024437759ea013fc525bd63ee553003c71afcc40d10c
diff --git a/sci-chemistry/molden/files/molden-6.9-ldflags.patch b/sci-chemistry/molden/files/molden-6.9-ldflags.patch
deleted file mode 100644
index 9e8258aeacd7..000000000000
--- a/sci-chemistry/molden/files/molden-6.9-ldflags.patch
+++ /dev/null
@@ -1,87 +0,0 @@
-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) $(SRCS)
diff --git a/sci-chemistry/molden/metadata.xml b/sci-chemistry/molden/metadata.xml
deleted file mode 100644
index e490bcb8aa87..000000000000
--- a/sci-chemistry/molden/metadata.xml
+++ /dev/null
@@ -1,8 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
-</pkgmetadata>
diff --git a/sci-chemistry/molden/molden-6.9-r1.ebuild b/sci-chemistry/molden/molden-6.9-r1.ebuild
deleted file mode 100644
index 39ad93accf73..000000000000
--- a/sci-chemistry/molden/molden-6.9-r1.ebuild
+++ /dev/null
@@ -1,77 +0,0 @@
-# Copyright 1999-2022 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-inherit desktop fortran-2 flag-o-matic toolchain-funcs
-
-MY_P="${PN}${PV}"
-
-DESCRIPTION="Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac"
-HOMEPAGE="https://www.theochem.ru.nl/molden/"
-SRC_URI="ftp://ftp.science.ru.nl/pub/Molden/${MY_P}.tar.gz"
-S="${WORKDIR}/${MY_P}"
-
-LICENSE="MOLDEN"
-SLOT="0"
-KEYWORDS="amd64 ~x86"
-IUSE="opengl"
-
-DEPEND="
- x11-libs/libXmu
- opengl? (
- media-libs/freeglut
- virtual/opengl
- virtual/glu
- )
-"
-RDEPEND="${DEPEND}
- sci-chemistry/surf
-"
-
-PATCHES=(
- "${FILESDIR}/${P}-ldflags.patch"
-)
-
-src_prepare() {
- default
- sed 's:shell g77:shell $(FC):g' -i makefile || die
-}
-
-src_compile() {
- local args=()
-
- # Use -mieee on alpha, according to the Makefile
- use alpha && append-flags -mieee
-
- # GCC 10 workaround
- # bug #724556
- append-fflags $(test-flags-FC -fallow-argument-mismatch)
-
- args=(
- CC="$(tc-getCC) ${CFLAGS}"
- FC="$(tc-getFC)"
- LDR="$(tc-getFC)"
- FFLAGS="${FFLAGS}"
- )
-
- einfo "Building Molden..."
- emake -j1 molden ambfor/ambfor ambfor/ambmd "${args[@]}"
- if use opengl ; then
- einfo "Building Molden OpenGL helper..."
- emake -j1 "${args[@]}" gmolden
- fi
-}
-
-src_install() {
- dobin bin/molden bin/ambfor bin/ambmd
- if use opengl; then
- dobin bin/gmolden
- doicon -s 64 haux/gmolden.png
- make_desktop_entry gmolden MOLDEN gmolden
- fi
-
- dodoc HISTORY README REGISTER
- cd doc || die
- uncompress * && dodoc *
-}