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authorV3n3RiX <venerix@redcorelinux.org>2017-12-18 15:11:02 +0000
committerV3n3RiX <venerix@redcorelinux.org>2017-12-18 15:11:02 +0000
commit0fb71e0215ed52863e462cccef73c01aff44d43d (patch)
tree428fc3fa92f9c69ed02878e9b6151a9fb810e651 /sci-chemistry/namd
parent9bd54251864651f49e673a08aec9ef79cfe08f04 (diff)
gentoo resync : 18.12.2017
Diffstat (limited to 'sci-chemistry/namd')
-rw-r--r--sci-chemistry/namd/Manifest11
-rw-r--r--sci-chemistry/namd/files/namd-2.10-gentoo.patch2
-rw-r--r--sci-chemistry/namd/files/namd-2.9-gentoo.patch151
-rw-r--r--sci-chemistry/namd/metadata.xml2
-rw-r--r--sci-chemistry/namd/namd-2.10.ebuild36
-rw-r--r--sci-chemistry/namd/namd-2.9-r1.ebuild104
6 files changed, 27 insertions, 279 deletions
diff --git a/sci-chemistry/namd/Manifest b/sci-chemistry/namd/Manifest
index cef3b7a38707..eed29c1248f3 100644
--- a/sci-chemistry/namd/Manifest
+++ b/sci-chemistry/namd/Manifest
@@ -1,8 +1,5 @@
-AUX namd-2.10-gentoo.patch 4636 BLAKE2B ea896b918e38d099a0d9f1268a4b28eccf378e187a6067aa7ac872a3c6d51403d783ba8ff03169d7745f952fe4e259aaf60ee50e9f381f577709740891fd34a1 SHA512 28ffbedb05d24a74e05a4f65424a25a4598e2172b7b4ab07fe84570e3162373e4e018f66077636bb097c6e0687666ac81dbb8b925a195f23c269829ebb9234c8
+AUX namd-2.10-gentoo.patch 4637 BLAKE2B 0439e424f3d2a73378c68052f9d9dd69dc9590b9f83fa4062d4abc156b3b682f0e8a2cffd8a1e1f751f8dfd71d067c0234ba56946773ca9139e73c57e775c631 SHA512 35afda71ad7567d1b2c4c1f4073792d5977edc997ba7a43cf71c8ed32308062edc5cb4923202d599d59ade2f98602a0fac21138ba205a3bf6b681c86a61411f8
AUX namd-2.7-iml-dec.patch 520 BLAKE2B c16430d1161b9d7e3faf22257d84ff1090eccf906a296f91d4ec0731fa89d23334d5c39c7988f8ac6d5f5020d403d4491dadbe34b1e9800ada81ad18b2448b7d SHA512 50ddf91bcb0e370a98d6fe5329f00ec9a8016f0178e342b086f4b9d4130a41e525ed9d960e92dc83b4372f135ce9d454bef836d3e215fb6ac7933999278efa37
-AUX namd-2.9-gentoo.patch 5480 BLAKE2B 30b337c893984842e26f010fe084aa5398e217e6fd4098af87fe181cab735350730f27c07c1f8c401874b792a50a296662dba6856d30253024467e712cac1223 SHA512 e59a01fe0b65fe9df6b47e962f776eea650b55071081210d0e1269dd76e4da4bca8faef11398bd0cb1f8acc883c8ebf6b37d7fdab066602fd251aae82cb87264
-DIST NAMD_2.10_Source.tar.gz 9200234 SHA256 a5282c172524c2fbe6b9ba56f2de8c84f1093405c914ffbc70442dd0dd4e4289 SHA512 3712a03841fad76c502ac4e41469162ff78e6152560d0f6855d61d2b5583241a661e2a3e7446029b56a6f6f1100f25cb51b2c3df6571542397961d3bb625bc92 WHIRLPOOL b97e47c1d73d505620c26a2eca2e2e91807ebeff19e8820d9be7ea6ddd84c59cd5839846a18a2615ae993a1a6fc22b90e5080cf9d8a72aa412f6b81354e0f284
-DIST NAMD_2.9_Source.tar.gz 8814042 SHA256 9ba6a1f87d4600a62847728d7c223295be214f9a72b5bb62552f74d644108424 SHA512 0644814a2799b560d9dcf807ba0047325bc9f0a26e3831b0465d95180784f038d69595e036daac85d59cd919c92d11a0343031975d99deb1fa3052c8a649bdd6 WHIRLPOOL 5494ccb2ee2f2792fe52ad7dcfe6da9d11453f0a9b0859d30698dea56b00d92fae73465967f82bd708abee5cd4ff50b0a6ffde86451e859e2f515af203e09286
-EBUILD namd-2.10.ebuild 2532 BLAKE2B a0fdc3922a5930ae0ace9c62bdd822f8ae286fa65dec2b5bc28be430a03ca46f91b7991dc91957cfd219198d6913516fdc392aa88cf5230275e7853e854fc650 SHA512 24bcf70033603527cbf3369358cad093bc3a7cc3336a8ccd2363d0caa801dd9d57da39e8cf184c12183d1b93916af758dd980cbfe59569ec7f499b78719304f3
-EBUILD namd-2.9-r1.ebuild 2523 BLAKE2B 94a739af09d0a0dcbb112d6c477a1769e83b6c2d8f7ba6496574e6557fc0a6114e1de6c221ddb0da50c53aeb41c5d79f746368fb7aeab8b538d24836f88e076f SHA512 1c53db643c5cd3224f434d6c1867d986d2242bc461f6cf32061188663f07e611ef04f149657256b308fff69b72e7b636a571357fd8afc0e3d0704dc336220bee
-MISC metadata.xml 375 BLAKE2B 0970cbb58c880e8bfefdbda68c046b45adc4325d1fe3bb51aa975f38d06a4e028ce8dc41691eff8e3298f23f2c9b73b83f7c9b26b0d3055437b3d4c0618f5596 SHA512 da64c8ba453ccf6ba5997af7c60bb4873f6f5e0379fc0c3787e77dd46fef945d3c4bd5d06d62a071526324ed6b3e1b7287d9f2e68f141042d12a469ef4e46757
+DIST NAMD_2.10_Source.tar 35287040 BLAKE2B cc48198cd5f0490709899dd1e3c819c2caaf6f160bc5b5d7b77a18fdb63a4b9e365c99169ce8b19eb5ad139d4adb10e350985bc31f43b0abf965cb0d494fd84f SHA512 86ac830446436ad695ae61c2fb5857385f9aee01ee38be648a08d00834fd037f7da0ac4b442fcb81ca9e4ebd328344c296d0d810b8cc26ced8408be488c90b5a
+EBUILD namd-2.10.ebuild 2638 BLAKE2B a208ad09f8d8c79311551ad2515eb19fc97cb8987c469f902719178f15c38dc2853d58b0f7469ec45cda864a3af1c2f9d6f160edd1af05def46428179db4834b SHA512 78c1148e6f4e6f161121fbc1942c16e69db4ee6aec849034a72cede783138a0cee536e14b41713146fd6fc586f4e02df41e38abd5565d5071ad5066860b2636e
+MISC metadata.xml 376 BLAKE2B 04d5215096c154f2414dc0475c6510a66b6978bd85169311d4b17303bafea893f8e3c2afb83080d72492c5dc82a62b2522ca079e300c917c00e439da932fee68 SHA512 578a3221496eb1470d9fcac9e784f62bb39591448a35a24e1881b5be69473689770bbc928c5779b76bed8c657b1e44d929093e6a39812d135199e37a0e8938e2
diff --git a/sci-chemistry/namd/files/namd-2.10-gentoo.patch b/sci-chemistry/namd/files/namd-2.10-gentoo.patch
index e578c131c36d..ffef6dc3ad68 100644
--- a/sci-chemistry/namd/files/namd-2.10-gentoo.patch
+++ b/sci-chemistry/namd/files/namd-2.10-gentoo.patch
@@ -22,7 +22,7 @@ diff -Naur NAMD_2.10_Source.orig/arch/Linux-x86_64.tcl NAMD_2.10_Source/arch/Lin
TCLINCL=-I$(TCLDIR)/include
#TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl
-TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -lpthread
-+TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread
++#TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread
TCLFLAGS=-DNAMD_TCL
TCL=$(TCLINCL) $(TCLFLAGS)
diff --git a/sci-chemistry/namd/files/namd-2.9-gentoo.patch b/sci-chemistry/namd/files/namd-2.9-gentoo.patch
deleted file mode 100644
index 583cc52645df..000000000000
--- a/sci-chemistry/namd/files/namd-2.9-gentoo.patch
+++ /dev/null
@@ -1,151 +0,0 @@
-diff -Naur NAMD_2.9_Source.original/Make.charm NAMD_2.9_Source/Make.charm
---- NAMD_2.9_Source.original/Make.charm 2012-02-29 19:12:11.000000000 -0700
-+++ NAMD_2.9_Source/Make.charm 2013-09-13 21:23:26.000000000 -0600
-@@ -2,5 +2,5 @@
- # The config script will override this setting if there is a directory
- # called charm-6.4.0 or charm in the NAMD base directory.
-
--CHARMBASE = /Projects/namd2/charm-6.4.0
-+CHARMBASE = /usr/include/charm-6.4.0
-
-diff -Naur NAMD_2.9_Source.original/Makefile NAMD_2.9_Source/Makefile
---- NAMD_2.9_Source.original/Makefile 2012-04-27 09:53:24.000000000 -0600
-+++ NAMD_2.9_Source/Makefile 2013-09-13 21:30:15.000000000 -0600
-@@ -344,10 +344,10 @@
- $(DSTDIR)/stringhash.o
-
- # definitions for Charm routines
--CHARMC = $(CHARM)/bin/charmc
--CHARMXI = $(CHARM)/bin/charmc
--CHARMINC = $(CHARM)/include $(COPTD)CMK_OPTIMIZE=1
--CHARMLIB = $(CHARM)/lib
-+CHARMC = /usr/bin/charmc
-+CHARMXI = /usr/bin/charmc
-+CHARMINC = /usr/include/gentoo-charm $(COPTD)CMK_OPTIMIZE=1
-+CHARMLIB = /usr/gentoo-libdir
- CHARM_MODULES = -module NeighborLB -module HybridLB -module RefineLB -module GreedyLB
- #CHARM_MODULES = -module msa -module NeighborLB -module HybridLB -module RefineLB -module GreedyLB
- #MSA = -DCHARM_HAS_MSA
-@@ -370,7 +370,7 @@
-
- # Add new executables here.
-
--BINARIES = namd2 psfgen sortreplicas charmrun flipdcd flipbinpdb
-+BINARIES = namd2 psfgen sortreplicas flipdcd flipbinpdb
-
- # This should be rebuilt at every compile, but not on Win32.
- BUILDINFO = $(DSTDIR)/buildinfo
-@@ -386,7 +386,7 @@
-
- namd2: $(MKINCDIR) $(MKDSTDIR) $(OBJS) $(LIBS)
- $(MAKEBUILDINFO)
-- $(CHARMC) -verbose -ld++-option \
-+ $(CHARMC) $(LDFLAGS) -verbose -ld++-option \
- "$(COPTI)$(CHARMINC) $(COPTI)$(INCDIR) $(COPTI)$(SRCDIR) $(CXXOPTS)" \
- "$(CHARM_MODULES)" -language charm++ \
- $(BUILDINFO).o \
-@@ -402,16 +402,9 @@
- $(EXTRALINKLIBS) \
- -lm -o namd2
-
--charmrun: $(CHARM)/bin/charmrun # XXX
-- $(COPY) $(CHARM)/bin/charmrun $@
--
- $(LIBCUDARTSO):
- $(COPY) $(CUDASODIR)/$(LIBCUDARTSO) $@;
-
--WINDOWSBINARIES = namd2.exe psfgen.exe sortreplicas.exe
--# WINDOWSBINARIES = namd2.exe psfgen.exe charmd.exe charmd_faceless.exe charmrun.exe
--windowsbinaries: $(WINDOWSBINARIES)
--
- namd2.exe: $(MKINCDIR) $(MKDSTDIR) $(OBJS) $(LIBS) $(TCLDLL)
- $(MAKEBUILDINFO)
- $(CHARMC) -verbose \
-@@ -434,11 +427,8 @@
- charmd_faceless.exe:
- $(COPY) $(CHARM)/bin/charmd_faceless.exe charmd_faceless.exe
-
--charmrun.exe:
-- $(COPY) $(CHARM)/bin/charmrun.exe charmrun.exe
--
- psfgen: $(MKDSTDIR) $(SBOBJS) $(PLUGINOBJS)
-- $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm
-+ $(CC) $(SBCFLAGS) $(LDFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm
-
- psfgen.exe: $(MKDSTDIR) $(SBOBJS) $(PLUGINOBJS) $(TCLDLL)
- $(CC) $(SBCFLAGS) -o psfgen $(SBOBJS) $(PLUGINOBJS) $(TCLLIB) $(TCLAPPLIB) -lm
-@@ -456,7 +446,7 @@
- $(CC) $(CFLAGS) -o diffbinpdb $(SRCDIR)/diffbinpdb.c -lm
-
- flipdcd: $(SRCDIR)/flipdcd.c
-- $(CC) $(CFLAGS) -o $@ $(SRCDIR)/flipdcd.c || \
-+ $(CC) $(CFLAGS) $(LDFLAGS) -o $@ $(SRCDIR)/flipdcd.c || \
- echo "#!/bin/sh\necho unavailable on this platform" > $@; \
- chmod +x $@
-
-@@ -466,7 +456,7 @@
- chmod +x $@
-
- fixdcd: $(SRCDIR)/fixdcd.c
-- $(CC) $(CFLAGS) -o fixdcd $(SRCDIR)/fixdcd.c
-+ $(CC) $(CFLAGS) $(LDFLAGS) -o fixdcd $(SRCDIR)/fixdcd.c
-
- dumpdcd: $(SRCDIR)/dumpdcd.c
- $(CC) $(CFLAGS) -o dumpdcd $(SRCDIR)/dumpdcd.c
-@@ -665,9 +655,7 @@
-
- DOC_FILES = README.txt announce.txt license.txt notes.txt
-
--RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb sortreplicas psfgen charmrun namd2
--
--WINDOWS_RELEASE_FILES = $(LIBCUDARTSO) $(WINDOWSBINARIES) $(TCLDLL)
-+RELEASE_FILES = $(LIBCUDARTSO) flipdcd flipbinpdb sortreplicas psfgen namd2
-
- release: all
- $(ECHO) Creating release $(RELEASE_DIR_NAME)
-@@ -678,17 +666,9 @@
- for f in `find $(RELEASE_DIR_NAME)/lib -name CVS`; do \
- /bin/rm -rf $$f; \
- done
-- if [ -r $(CHARM)/bin/charmd ]; then \
-- $(COPY) $(CHARM)/bin/charmd $(RELEASE_DIR_NAME); \
-- fi
-- if [ -r $(CHARM)/bin/charmd_faceless ]; then \
-- $(COPY) $(CHARM)/bin/charmd_faceless $(RELEASE_DIR_NAME); \
-- fi
- chmod -R a+rX $(RELEASE_DIR_NAME)
- tar cf $(RELEASE_DIR_NAME).tar $(RELEASE_DIR_NAME)
- gzip $(RELEASE_DIR_NAME).tar
-- echo $(CHARM)
-- ls -l $(CHARM)/lib
- -for f in $(RELEASE_FILES); do echo $$f; $(LDD) $(RELEASE_DIR_NAME)/$$f; done
-
- winrelease: winall
-diff -Naur NAMD_2.9_Source.original/arch/Linux-x86_64.fftw NAMD_2.9_Source/arch/Linux-x86_64.fftw
---- NAMD_2.9_Source.original/arch/Linux-x86_64.fftw 2009-02-21 21:16:04.000000000 -0700
-+++ NAMD_2.9_Source/arch/Linux-x86_64.fftw 2013-09-13 20:55:02.000000000 -0600
-@@ -1,7 +1,7 @@
-
--FFTDIR=/Projects/namd2/fftw/linux-x86_64
-+FFTDIR=/usr
- FFTINCL=-I$(FFTDIR)/include
--FFTLIB=-L$(FFTDIR)/lib -lsrfftw -lsfftw
-+FFTLIB=-L$(FFTDIR)/gentoo-libdir -lsrfftw -lsfftw
- FFTFLAGS=-DNAMD_FFTW
- FFT=$(FFTINCL) $(FFTFLAGS)
-
-diff -Naur NAMD_2.9_Source.original/arch/Linux-x86_64.tcl NAMD_2.9_Source/arch/Linux-x86_64.tcl
---- NAMD_2.9_Source.original/arch/Linux-x86_64.tcl 2011-06-17 14:38:43.000000000 -0600
-+++ NAMD_2.9_Source/arch/Linux-x86_64.tcl 2013-09-13 20:56:30.000000000 -0600
-@@ -1,9 +1,9 @@
-
- #TCLDIR=/Projects/namd2/tcl/tcl8.5.9-linux-x86_64
--TCLDIR=/Projects/namd2/tcl/tcl8.5.9-linux-x86_64-threaded
-+TCLDIR=/usr
- TCLINCL=-I$(TCLDIR)/include
- #TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl
--TCLLIB=-L$(TCLDIR)/lib -ltcl8.5 -ldl -lpthread
-+TCLLIB=-L$(TCLDIR)/gentoo-libdir -ltcl8.5 -ldl -lpthread
- TCLFLAGS=-DNAMD_TCL
- TCL=$(TCLINCL) $(TCLFLAGS)
-
diff --git a/sci-chemistry/namd/metadata.xml b/sci-chemistry/namd/metadata.xml
index dc42d24f9afb..2fe5325ae7fa 100644
--- a/sci-chemistry/namd/metadata.xml
+++ b/sci-chemistry/namd/metadata.xml
@@ -5,7 +5,7 @@
<email>nicolasbock@gentoo.org</email>
<name>Nicolas Bock</name>
</maintainer>
-<maintainer type="project">
+ <maintainer type="project">
<email>sci-chemistry@gentoo.org</email>
<name>Gentoo Chemistry Project</name>
</maintainer>
diff --git a/sci-chemistry/namd/namd-2.10.ebuild b/sci-chemistry/namd/namd-2.10.ebuild
index d67280b8d0f1..624d3292621d 100644
--- a/sci-chemistry/namd/namd-2.10.ebuild
+++ b/sci-chemistry/namd/namd-2.10.ebuild
@@ -1,18 +1,17 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2017 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-EAPI=5
+EAPI=6
+
+MY_PN="NAMD"
inherit eutils multilib toolchain-funcs flag-o-matic
DESCRIPTION="A powerful and highly parallelized molecular dynamics code"
-LICENSE="namd"
HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"
+SRC_URI="${MY_PN}_${PV}_Source.tar"
-MY_PN="NAMD"
-
-SRC_URI="${MY_PN}_${PV}_Source.tar.gz"
-
+LICENSE="namd"
SLOT="0"
KEYWORDS="~amd64"
IUSE=""
@@ -25,6 +24,7 @@ RDEPEND="
dev-lang/tcl:0="
DEPEND="${RDEPEND}
+ virtual/pkgconfig
app-shells/tcsh"
NAMD_ARCH="Linux-x86_64-g++"
@@ -33,6 +33,13 @@ NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageN
S="${WORKDIR}/${MY_PN}_${PV}_Source"
+PATCHES=(
+ # apply a few small fixes to make NAMD compile and
+ # link to the proper libraries
+ "${FILESDIR}"/namd-2.10-gentoo.patch
+ "${FILESDIR}"/namd-2.7-iml-dec.patch
+)
+
pkg_nofetch() {
echo
einfo "Please download ${MY_PN}_${PV}_Source.tar.gz from"
@@ -46,16 +53,14 @@ pkg_nofetch() {
src_prepare() {
CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3)
- # apply a few small fixes to make NAMD compile and
- # link to the proper libraries
- epatch "${FILESDIR}"/namd-2.10-gentoo.patch
- epatch "${FILESDIR}"/namd-2.7-iml-dec.patch
+ default
+
sed \
-e "/CHARMBASE =/s:= .*:= /usr/bin/charm-${CHARM_VERSION}:" \
-i Make.charm || die
# Remove charm distribution. We don't need it.
- rm -f charm-*.tar
+ rm -f charm-*.tar || die
# proper compiler and cflags
sed \
@@ -80,13 +85,14 @@ src_configure() {
src_compile() {
# build namd
- cd "${S}/${NAMD_ARCH}"
- emake
+ cd "${S}/${NAMD_ARCH}" || die
+ TCLLIB="$($(tc-getPKG_CONFIG) --libs tcl) -ldl -pthread" \
+ emake
}
src_install() {
dodoc announce.txt license.txt notes.txt
- cd "${S}/${NAMD_ARCH}"
+ cd "${S}/${NAMD_ARCH}" || die
# the binaries
dobin ${PN}2 psfgen flipbinpdb flipdcd
diff --git a/sci-chemistry/namd/namd-2.9-r1.ebuild b/sci-chemistry/namd/namd-2.9-r1.ebuild
deleted file mode 100644
index 869c1ec2f182..000000000000
--- a/sci-chemistry/namd/namd-2.9-r1.ebuild
+++ /dev/null
@@ -1,104 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-inherit eutils multilib toolchain-funcs flag-o-matic
-
-DESCRIPTION="A powerful and highly parallelized molecular dynamics code"
-LICENSE="namd"
-HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"
-
-MY_PN="NAMD"
-
-SRC_URI="${MY_PN}_${PV}_Source.tar.gz"
-
-SLOT="0"
-KEYWORDS="~amd64"
-IUSE=""
-
-RESTRICT="fetch"
-
-RDEPEND="
- >=sys-cluster/charm-6.5.1-r2
- sci-libs/fftw:3.0
- dev-lang/tcl:0="
-
-DEPEND="${RDEPEND}
- app-shells/tcsh"
-
-NAMD_ARCH="Linux-x86_64-g++"
-
-NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD"
-
-S="${WORKDIR}/${MY_PN}_${PV}_Source"
-
-pkg_nofetch() {
- echo
- einfo "Please download ${MY_PN}_${PV}_Source.tar.gz from"
- einfo "${NAMD_DOWNLOAD}"
- einfo "after agreeing to the license and then move it to"
- einfo "${DISTDIR}"
- einfo "Be sure to select the ${PV} version!"
- echo
-}
-
-src_prepare() {
- CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3)
-
- # apply a few small fixes to make NAMD compile and
- # link to the proper libraries
- epatch "${FILESDIR}"/namd-2.9-gentoo.patch
- epatch "${FILESDIR}"/namd-2.7-iml-dec.patch
- sed \
- -e "s:charm-.\+:charm-${CHARM_VERSION}:" \
- -i Make.charm || die
-
- # Remove charm distribution. We don't need it.
- rm -f charm-6.4.0.tar || die
-
- # proper compiler and cflags
- sed \
- -e "s/g++.*/$(tc-getCXX)/" \
- -e "s/gcc.*/$(tc-getCC)/" \
- -e "s/CXXOPTS = .*/CXXOPTS = ${CXXFLAGS} ${LDFLAGS}/" \
- -e "s/COPTS = .*/COPTS = ${CFLAGS} ${LDFLAGS}/" \
- -i arch/${NAMD_ARCH}.arch || die
-
- sed \
- -e "s/gentoo-libdir/$(get_libdir)/g" \
- -e "s/gentoo-charm/charm-${CHARM_VERSION}/g" \
- -i Makefile || die "Failed gentooizing Makefile."
- sed -e "s@/lib@/$(get_libdir)@g" -e '/FFTDIR=/s@=.*@=/usr@' -i arch/Linux-x86_64.fftw3 || die
- sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || die
-}
-
-src_configure() {
- # configure
- ./config ${NAMD_ARCH} --with-fftw3 --charm-arch . || die
-}
-
-src_compile() {
- # build namd
- cd "${S}/${NAMD_ARCH}"
- emake
-}
-
-src_install() {
- dodoc announce.txt license.txt notes.txt
- cd "${S}/${NAMD_ARCH}"
-
- # the binaries
- dobin ${PN}2 psfgen flipbinpdb flipdcd
-}
-
-pkg_postinst() {
- echo
- einfo "For detailed instructions on how to run and configure"
- einfo "NAMD please consults the extensive documentation at"
- einfo "http://www.ks.uiuc.edu/Research/namd/"
- einfo "and the NAMD tutorials available at"
- einfo "http://www.ks.uiuc.edu/Training/Tutorials/"
- einfo "Have fun :)"
- echo
-}