summaryrefslogtreecommitdiff
path: root/sci-chemistry/mopac7
diff options
context:
space:
mode:
authorV3n3RiX <venerix@koprulu.sector>2024-10-19 04:04:36 +0100
committerV3n3RiX <venerix@koprulu.sector>2024-10-19 04:04:36 +0100
commitd895362f98ae63a6ed12cd16d3b3df95d6967f25 (patch)
treee6c8a50e31dc122b10c6dc3d9eee5d6ec6f002c0 /sci-chemistry/mopac7
parent483d7c056fba15727fe24545f93627a1d1e1e2eb (diff)
gentoo auto-resync : 19:10:2024 - 04:04:35
Diffstat (limited to 'sci-chemistry/mopac7')
-rw-r--r--sci-chemistry/mopac7/Manifest6
-rw-r--r--sci-chemistry/mopac7/files/Makefile18
-rw-r--r--sci-chemistry/mopac7/metadata.xml14
-rw-r--r--sci-chemistry/mopac7/mopac7-1.15-r1.ebuild78
4 files changed, 0 insertions, 116 deletions
diff --git a/sci-chemistry/mopac7/Manifest b/sci-chemistry/mopac7/Manifest
deleted file mode 100644
index 25d061c91462..000000000000
--- a/sci-chemistry/mopac7/Manifest
+++ /dev/null
@@ -1,6 +0,0 @@
-AUX Makefile 387 BLAKE2B b0c4b3a009c8bf8c779953edf3e233434656033a661cb307079eebc980a827215fcd0dc04cf1df245ec20a6f95c151e4f9a9816c56cf8d6c1da6f77214fb41a5 SHA512 5bde85940d1d850ae65d23802aefb57660fda512d452660fdc37a19ae1f50c7f1240bfeffdd81a52cbd0a3140dad76272ca60333b60d40d1d79fdfe7297857dd
-DIST dcart.f 11044 BLAKE2B 7414804ecfab9a7cbddee664b85e6e2e8c1d8fe1e1f73d480dd1a387c5e349d26ec4ae1a37f27e38b7c051fcce2c1bdf77de12ec628298fd3edf79040a8a0c5a SHA512 788a184fd8419ff742e49c1a652d5ea093f9114dbe4f272665b8fb9eeac2afb7f7042628c288f2b81d0f54d8a7ef2f400490cd3aff39dda59a6d70a0deab5b80
-DIST gmxmop.f 38956 BLAKE2B e411feca5104e91ae8fd2008de61d18cc214beb3b2a7aa09a80269fb935e27ba1b1cb89fa30eedbfc4f6c4734c22d932e57d5905c175ae9f56c4affee7b0ca04 SHA512 38bb2e5749c4d3c8c24f15682f72e40cb4edb6517c7916cecee1d21675b1870c0fe331ba2ec40312408dec473141e7742d1e155d4b64f1c2a25bfa4e11885194
-DIST mopac7-1.15.tar.gz 764547 BLAKE2B 6e037862007221955d0ad65f3c002a3d2e461950a2bc0efac9d195cf1d9d856842d02bc380ce236c3d48f863a144875950f5c86f8f3ac936b8b098472f7f7a0d SHA512 e0ccd643caa6dbd7e156867530d79e50e10243f5e3b5f8bc57781e68e1daf26f2a0e6987fff00afe07eb0fcb98cbd9f01e4cfa5d20acc0d8ab3cca632968636e
-EBUILD mopac7-1.15-r1.ebuild 1979 BLAKE2B 9ed2f685e1b787f1eece439ca75efe489601651712aa6dbab8fff05d78e0ce3d97a5116266568d985e2ca67749e4bd39dd606f8f419141ce39ccadf39de9fe22 SHA512 add91d8a0b7da52ecebed3f611fb259110ab4872554ea2db94bb476625ef2c09ea83220f6e16f69303c6bba368bbd1681ec293f013cfce05a05b6a3271438d0a
-MISC metadata.xml 435 BLAKE2B 12efd7ecfe6c9b07411d62992a225848f3787b58a59765e373fdc98ce22c3b50763243ac70efa1d7a7ec3309bc519dd433d41b778fe8f18cdfbdae971e0ee82c SHA512 d624b1181bdd0d66062507e7793eb25d24c447fa9ffbe8ee1645c88b843e6822e80af087bf6073ac191947074491159331f2021b884f8b7cd2237cf3e013ebb4
diff --git a/sci-chemistry/mopac7/files/Makefile b/sci-chemistry/mopac7/files/Makefile
deleted file mode 100644
index bcada8b0a889..000000000000
--- a/sci-chemistry/mopac7/files/Makefile
+++ /dev/null
@@ -1,18 +0,0 @@
-VERSION = GENTOOVERSION
-MAJOR = 1
-
-LIBS = -lgfortran -lf2c
-
-objects := $(patsubst %.f,%.o,$(wildcard *.f))
-
-all: libgmxmopac7
-
-clean:
- rm -f moldat.*f deriv.* mopac7*.* compfg.* dcart.*
-
-%.o: %.f
- $(FC) $(FFLAGS) -fPIC -c $<
-
-libgmxmopac7: $(objects)
- $(FC) -shared $(LDFLAGS) -Wl,-soname,libgmxmopac7.so.$(MAJOR) -o $@.so.$(VERSION) $^ $(LIBS)
- ln -sf $@.so.$(VERSION) libgmxmopac7.so
diff --git a/sci-chemistry/mopac7/metadata.xml b/sci-chemistry/mopac7/metadata.xml
deleted file mode 100644
index cd1cacd0abf9..000000000000
--- a/sci-chemistry/mopac7/metadata.xml
+++ /dev/null
@@ -1,14 +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>
- <use>
- <flag name="gmxmopac7">Add support library for gromacs</flag>
- </use>
- <upstream>
- <remote-id type="sourceforge">mopac7</remote-id>
- </upstream>
-</pkgmetadata>
diff --git a/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild b/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild
deleted file mode 100644
index c536575112e8..000000000000
--- a/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild
+++ /dev/null
@@ -1,78 +0,0 @@
-# Copyright 1999-2024 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-inherit autotools fortran-2 flag-o-matic toolchain-funcs
-
-DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package"
-HOMEPAGE="https://sourceforge.net/projects/mopac7/"
-SRC_URI="
- http://www.bioinformatics.org/ghemical/download/current/${P}.tar.gz
- http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f
- http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f"
-
-LICENSE="public-domain"
-SLOT="0"
-KEYWORDS="amd64 ~ppc ~x86 ~amd64-linux"
-IUSE="gmxmopac7"
-
-DEPEND="dev-libs/libf2c"
-RDEPEND="${DEPEND}"
-
-src_prepare() {
- default
-
- # Install the executable
- sed -i \
- -e "s:noinst_PROGRAMS = mopac7:bin_PROGRAMS = mopac7:g" \
- fortran/Makefile.am \
- || die "sed failed: install mopac7"
- # Install the script to run the executable
- sed -i \
- -e "s:EXTRA_DIST = autogen.sh run_mopac7:bin_SCRIPTS = run_mopac7:g" \
- Makefile.am \
- || die "sed failed: install run_mopac7"
-
- eautoreconf
- append-fflags -std=legacy -fno-automatic
-}
-
-src_configure() {
- # -Werror=lto-type-mismatch
- # https://bugs.gentoo.org/927389
- #
- # Unmaintained fortran code, no bug report.
- filter-lto
-
- econf --disable-static
-}
-
-src_compile() {
- emake
- if use gmxmopac7; then
- einfo "Making mopac7 lib for gromacs"
- mkdir "${S}"/fortran/libgmxmopac7 || die
- cd "${S}"/fortran/libgmxmopac7 || die
- cp -n ../SIZES ../*.f "${FILESDIR}"/Makefile . || die
- emake clean
- cp -n "${DISTDIR}"/gmxmop.f "${DISTDIR}"/dcart.f . || die
- sed "s:GENTOOVERSION:${PV}:g" -i Makefile || die
- emake FC="$(tc-getFC)"
- fi
-}
-
-src_install() {
- # A correct fix would have a run_mopac7.in with @bindir@ that gets
- # replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac
- sed -i "s:./fortran/mopac7:mopac7:g" run_mopac7 || die
-
- default
-
- if use gmxmopac7; then
- cd "${S}"/fortran/libgmxmopac7 || die
- dolib.so libgmxmopac7.so*
- fi
-
- find "${ED}" -name '*.la' -delete || die
-}