From 0fb71e0215ed52863e462cccef73c01aff44d43d Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Mon, 18 Dec 2017 15:11:02 +0000 Subject: gentoo resync : 18.12.2017 --- sci-chemistry/namd/Manifest | 11 +- sci-chemistry/namd/files/namd-2.10-gentoo.patch | 2 +- sci-chemistry/namd/files/namd-2.9-gentoo.patch | 151 ------------------------ sci-chemistry/namd/metadata.xml | 2 +- sci-chemistry/namd/namd-2.10.ebuild | 36 +++--- sci-chemistry/namd/namd-2.9-r1.ebuild | 104 ---------------- 6 files changed, 27 insertions(+), 279 deletions(-) delete mode 100644 sci-chemistry/namd/files/namd-2.9-gentoo.patch delete mode 100644 sci-chemistry/namd/namd-2.9-r1.ebuild (limited to 'sci-chemistry/namd') 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) $(TCLFLAGS) - diff --git a/sci-chemistry/namd/metadata.xml b/sci-chemistry/namd/metadata.xml index dc42d24f9afb..2fe5325ae7fa 100644 --- a/sci-chemistry/namd/metadata.xml +++ b/sci-chemistry/namd/metadata.xml @@ -5,7 +5,7 @@ nicolasbock@gentoo.org Nicolas Bock - + sci-chemistry@gentoo.org Gentoo Chemistry Project diff --git a/sci-chemistry/namd/namd-2.10.ebuild b/sci-chemistry/namd/namd-2.10.ebuild index d67280b8d0f1..624d3292621d 100644 --- a/sci-chemistry/namd/namd-2.10.ebuild +++ b/sci-chemistry/namd/namd-2.10.ebuild @@ -1,18 +1,17 @@ -# Copyright 1999-2015 Gentoo Foundation +# Copyright 1999-2017 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -EAPI=5 +EAPI=6 + +MY_PN="NAMD" inherit eutils multilib toolchain-funcs flag-o-matic DESCRIPTION="A powerful and highly parallelized molecular dynamics code" -LICENSE="namd" HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/" +SRC_URI="${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 -} -- cgit v1.2.3