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authorRobin H. Johnson <robbat2@gentoo.org>2015-08-08 13:49:04 -0700
committerRobin H. Johnson <robbat2@gentoo.org>2015-08-08 17:38:18 -0700
commit56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch)
tree3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/moldy
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proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/moldy')
-rw-r--r--sci-chemistry/moldy/Manifest1
-rw-r--r--sci-chemistry/moldy/files/2.16e-as-needed.patch65
-rw-r--r--sci-chemistry/moldy/metadata.xml5
-rw-r--r--sci-chemistry/moldy/moldy-2.16e-r2.ebuild71
4 files changed, 142 insertions, 0 deletions
diff --git a/sci-chemistry/moldy/Manifest b/sci-chemistry/moldy/Manifest
new file mode 100644
index 000000000000..9e0e3883fa2f
--- /dev/null
+++ b/sci-chemistry/moldy/Manifest
@@ -0,0 +1 @@
+DIST moldy-2.16e.tar.gz 488410 RMD160 ef9c1c6cf1afa6e28e78a51a6a771d127aac2c83 SHA1 e7984f59170a11b5dab0beae89c5f4cf4da20ad1 SHA256 51abefc5e7de355022f48084382c30e72738cc1f21cd3d67fde7f047f1822ea8
diff --git a/sci-chemistry/moldy/files/2.16e-as-needed.patch b/sci-chemistry/moldy/files/2.16e-as-needed.patch
new file mode 100644
index 000000000000..67399e08560e
--- /dev/null
+++ b/sci-chemistry/moldy/files/2.16e-as-needed.patch
@@ -0,0 +1,65 @@
+diff --git a/Makefile.in b/Makefile.in
+index 0b02f00..ec588a8 100644
+--- a/Makefile.in
++++ b/Makefile.in
+@@ -115,25 +115,25 @@ VMSBUILD= compile_moldy.com link_moldy.com defcomm.com\
+
+ DOSBUILD= Makefile.mak OFILES.RSP SHAKOBJS.RSP Makefile.w32
+
+-all: moldy utilities Makefile
++all: moldy utilities
+
+ moldy: $(OFILES) $(EXTRA_OBJ) $(HFILES)
+- $(CC) -o moldy $(LDFLAGS) $(OFILES) $(EXTRA_OBJ) $(LIBS)
++ $(CC) $(LDFLAGS) -o moldy $(LDFLAGS) $(OFILES) $(EXTRA_OBJ) $(LIBS)
+
+ moldyext: moldyext.c $(LIBOBJS) $(HFILES)
+- $(CC) $(CFLAGS) -o moldyext $(OPT) $(DEFS) $(LDFLAGS1) moldyext.c $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) $(CFLAGS) -o moldyext $(OPT) $(DEFS) $(LDFLAGS1) moldyext.c $(LIBOBJS) $(LIBS)
+
+ manalyze: manalyze.c $(HFILES)
+- $(CC) $(CFLAGS) -o manalyze $(OPT) $(DEFS) $(LDFLAGS1) manalyze.c $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) $(CFLAGS) -o manalyze $(OPT) $(DEFS) $(LDFLAGS1) manalyze.c $(LIBS)
+
+ dumpanal: dumpanal.c xdr.o $(HFILES)
+- $(CC) $(CFLAGS) -o dumpanal $(OPT) $(DEFS) $(LDFLAGS1) dumpanal.c xdr.o $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) $(CFLAGS) -o dumpanal $(OPT) $(DEFS) $(LDFLAGS1) dumpanal.c xdr.o $(LIBS)
+
+ dumpext: dumpext.c xdr.o utlsup.o matrix.o $(LIBOBJS) $(HFILES)
+- $(CC) $(CFLAGS) -o dumpext $(OPT) $(DEFS) $(LDFLAGS1) dumpext.c xdr.o utlsup.o matrix.o $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) $(CFLAGS) -o dumpext $(OPT) $(DEFS) $(LDFLAGS1) dumpext.c xdr.o utlsup.o matrix.o $(LIBOBJS) $(LIBS)
+
+ dumpconv: dumpconv.c xdr.o $(HFILES)
+- $(CC) $(CFLAGS) -o dumpconv $(OPT) $(DEFS) $(LDFLAGS1) dumpconv.c xdr.o $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) $(CFLAGS) -o dumpconv $(OPT) $(DEFS) $(LDFLAGS1) dumpconv.c xdr.o $(LIBS)
+
+ #mdtraj: mdtraj.o $(SHAKOBJS) $(LIBOBJS)
+ # $(CC) -o mdtraj $(LDFLAGS) mdtraj.o $(SHAKOBJS) $(LIBOBJS) $(LIBS)
+@@ -142,21 +142,21 @@ mdshak: mdshak.o $(SHAKOBJS) $(LIBOBJS)
+ $(CC) -o mdshak $(LDFLAGS) mdshak.o $(SHAKOBJS) $(LIBOBJS) $(LIBS)
+
+ msd: msd.o $(SHAKOBJS) $(LIBOBJS)
+- $(CC) -o msd $(LDFLAGS1) msd.o $(SHAKOBJS) $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) -o msd $(LDFLAGS1) msd.o $(SHAKOBJS) $(LIBOBJS) $(LIBS)
+
+ mdvaf: mdvaf.o $(SHAKOBJS) $(LIBOBJS)
+- $(CC) -o mdvaf $(LDFLAGS1) mdvaf.o $(SHAKOBJS) $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) -o mdvaf $(LDFLAGS1) mdvaf.o $(SHAKOBJS) $(LIBOBJS) $(LIBS)
+ mdavpos: mdavpos.o $(SHAKOBJS) $(LIBOBJS)
+- $(CC) -o mdavpos $(LDFLAGS1) mdavpos.o $(SHAKOBJS) $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) -o mdavpos $(LDFLAGS1) mdavpos.o $(SHAKOBJS) $(LIBOBJS) $(LIBS)
+
+ mdbond: mdbond.o $(SHAKOBJS) $(LIBOBJS)
+- $(CC) -o mdbond $(LDFLAGS1) mdbond.o $(SHAKOBJS) $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) -o mdbond $(LDFLAGS1) mdbond.o $(SHAKOBJS) $(LIBOBJS) $(LIBS)
+
+ bdist: bdist.c $(HFILES)
+- $(CC) $(CFLAGS) -o bdist $(OPT) $(DEFS) $(LDFLAGS1) bdist.c $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(CFLAGS) $(LDFLAGS) -o bdist $(OPT) $(DEFS) $(LDFLAGS1) bdist.c $(LIBOBJS) $(LIBS)
+
+ ransub: ransub.o $(SHAKOBJS) $(LIBOBJS)
+- $(CC) -o ransub $(LDFLAGS1) ransub.o $(SHAKOBJS) $(LIBOBJS) $(LDFLAGS) $(LIBS)
++ $(CC) $(LDFLAGS) -o ransub $(LDFLAGS1) ransub.o $(SHAKOBJS) $(LIBOBJS) $(LIBS)
+
+ utilities: $(UTILS) $(UTILS2)
+
diff --git a/sci-chemistry/moldy/metadata.xml b/sci-chemistry/moldy/metadata.xml
new file mode 100644
index 000000000000..e42d0af60f42
--- /dev/null
+++ b/sci-chemistry/moldy/metadata.xml
@@ -0,0 +1,5 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci-chemistry</herd>
+</pkgmetadata>
diff --git a/sci-chemistry/moldy/moldy-2.16e-r2.ebuild b/sci-chemistry/moldy/moldy-2.16e-r2.ebuild
new file mode 100644
index 000000000000..27db651f82a3
--- /dev/null
+++ b/sci-chemistry/moldy/moldy-2.16e-r2.ebuild
@@ -0,0 +1,71 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=4
+
+inherit eutils toolchain-funcs
+
+DESCRIPTION="Molecular dynamics simulations platform"
+HOMEPAGE="http://www.ccp5.ac.uk/moldy/moldy.html"
+SRC_URI="ftp://ftp.earth.ox.ac.uk/pub/keith/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="amd64 ppc x86 ~amd64-linux ~x86-linux ~ppc-macos"
+IUSE="doc examples"
+
+DEPEND="doc? ( virtual/latex-base )"
+RDEPEND=""
+
+S="${WORKDIR}"
+
+src_prepare() {
+ epatch "${FILESDIR}"/${PV}-as-needed.patch
+ sed \
+ -e 's:-O2::g' \
+ -e 's:-ffast-math::g' \
+ -i configure || die
+}
+
+src_configure() {
+ #Individuals may want to edit the OPT* variables below.
+ #From the READ.ME:
+ #You may need to "hand-tune" compiler or optimization options,
+ #which may be specified by setting the OPT and OPT2 environment
+ #variables. OPT2 is used to compile only the most performance-critical
+ #modules and usually will select a very high level of optimization.
+ #It should be safe to select an optimization which means "treat all
+ #function arguments as restricted pointers which are not aliased to
+ #any other object". OPT is used for less preformance-critical modules
+ #and may be set to a lower level of optimization than OPT2.
+
+ OPT="${CFLAGS}" \
+ OPT2="${CFLAGS} ${CFLAGS_OPT}" \
+ CC=$(tc-getCC) \
+ econf
+}
+
+src_compile() {
+ emake
+ # To prevent sandbox violations by metafont
+ if use doc; then
+ VARTEXFONTS="${T}"/fonts emake moldy.pdf
+ fi
+}
+
+src_install() {
+ dodir /usr/bin
+ emake prefix="${ED}"/usr install
+ dodoc BENCHMARK READ.ME RELNOTES
+
+ if use examples; then
+ rm Makefile.in configure.in config.h.in
+ insinto /usr/share/${PN}/examples/
+ doins *.in *.out control.* || die
+ fi
+ if use doc; then
+ insinto /usr/share/doc/${PF}/pdf
+ newins moldy.pdf moldy-manual.pdf
+ fi
+}