diff options
author | Honza Macháček <Hloupy.Honza@centrum.cz> | 2012-04-20 13:39:39 +0200 |
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committer | Honza Macháček <Hloupy.Honza@centrum.cz> | 2012-04-20 13:39:39 +0200 |
commit | e5021743306a42e0f90557907dcc58aac185790b (patch) | |
tree | b6742400369d36b1ec1e39a4e1a7313a35e6b66b /sci-physics | |
parent | [sci-chemistry/gromacs] Also add http mirror git uri (diff) | |
download | sci-e5021743306a42e0f90557907dcc58aac185790b.tar.gz sci-e5021743306a42e0f90557907dcc58aac185790b.tar.bz2 sci-e5021743306a42e0f90557907dcc58aac185790b.zip |
sci-physics/abinit-6.12.* improved to find uudecode, a patch created for that by mistake removed once more. Several packages related to Abinit, including sci-physics/elk, version-bumped.
Diffstat (limited to 'sci-physics')
-rw-r--r-- | sci-physics/abinit/ChangeLog | 4 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-6.12.2.ebuild | 8 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-6.12.3.ebuild | 8 | ||||
-rw-r--r-- | sci-physics/abinit/files/6.12.1-gui-conf.patch | 12 | ||||
-rw-r--r-- | sci-physics/atompaw/ChangeLog | 8 | ||||
-rw-r--r-- | sci-physics/atompaw/Manifest | 10 | ||||
-rw-r--r-- | sci-physics/atompaw/atompaw-3.0.1-r1.ebuild | 68 | ||||
-rw-r--r-- | sci-physics/atompaw/atompaw-3.0.1.4.ebuild | 70 | ||||
-rw-r--r-- | sci-physics/atompaw/atompaw-3.0.1.ebuild | 66 | ||||
-rw-r--r-- | sci-physics/elk/ChangeLog | 7 | ||||
-rw-r--r-- | sci-physics/elk/Manifest | 5 | ||||
-rw-r--r-- | sci-physics/elk/elk-1.4.18.ebuild | 115 |
12 files changed, 212 insertions, 169 deletions
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog index 60fb829a3..23db32a69 100644 --- a/sci-physics/abinit/ChangeLog +++ b/sci-physics/abinit/ChangeLog @@ -2,6 +2,10 @@ # Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ + 19 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz> + -files/6.12.1-gui-conf.patch, abinit-6.12.2.ebuild, abinit-6.12.3.ebuild: + GUI configuration corrected (to find uudecode). + *abinit-6.12.3 (13 Apr 2012) 13 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz> diff --git a/sci-physics/abinit/abinit-6.12.2.ebuild b/sci-physics/abinit/abinit-6.12.2.ebuild index ddb435514..5fa4e8c1e 100644 --- a/sci-physics/abinit/abinit-6.12.2.ebuild +++ b/sci-physics/abinit/abinit-6.12.2.ebuild @@ -114,12 +114,6 @@ src_prepare() { epatch "${FILESDIR}"/6.12.1-libabinit_options.patch eautoreconf - if use gui; then - epatch "${FILESDIR}"/6.12.1-gui-conf.patch - pushd "${S}"/gui > /dev/null - ./autogen.sh - popd - fi } src_configure() { @@ -218,7 +212,7 @@ src_configure() { pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null mkdir -p gui cd gui - ECONF_SOURCE="${S}"/gui econf + ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode" fi } diff --git a/sci-physics/abinit/abinit-6.12.3.ebuild b/sci-physics/abinit/abinit-6.12.3.ebuild index d18f5ffdd..aacc90ae4 100644 --- a/sci-physics/abinit/abinit-6.12.3.ebuild +++ b/sci-physics/abinit/abinit-6.12.3.ebuild @@ -114,12 +114,6 @@ src_prepare() { epatch "${FILESDIR}"/6.12.1-libabinit_options.patch eautoreconf - if use gui; then - epatch "${FILESDIR}"/6.12.1-gui-conf.patch - pushd "${S}"/gui > /dev/null - ./autogen.sh - popd - fi } src_configure() { @@ -218,7 +212,7 @@ src_configure() { pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null mkdir -p gui cd gui - ECONF_SOURCE="${S}"/gui econf + ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode" fi } diff --git a/sci-physics/abinit/files/6.12.1-gui-conf.patch b/sci-physics/abinit/files/6.12.1-gui-conf.patch deleted file mode 100644 index 95c12b354..000000000 --- a/sci-physics/abinit/files/6.12.1-gui-conf.patch +++ /dev/null @@ -1,12 +0,0 @@ -diff -Naur abinit-6.12.1_orig/gui/configure abinit-6.12.1/gui/configure ---- gui/configure 2012-01-30 19:42:26.000000000 +0000 -+++ gui/configure 2012-03-16 13:38:54.000000000 +0000 -@@ -3143,7 +3143,7 @@ - test -z "$as_dir" && as_dir=. - for ac_exec_ext in '' $ac_executable_extensions; do - if { test -f "$as_dir/$ac_word$ac_exec_ext" && $as_test_x "$as_dir/$ac_word$ac_exec_ext"; }; then -- ac_cv_prog_UUDECODE="no" -+ ac_cv_prog_UUDECODE="$as_dir/$ac_word$ac_exec_ext" - $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 - break 2 - fi diff --git a/sci-physics/atompaw/ChangeLog b/sci-physics/atompaw/ChangeLog index 4687ce8d7..4b4190ad1 100644 --- a/sci-physics/atompaw/ChangeLog +++ b/sci-physics/atompaw/ChangeLog @@ -1,7 +1,13 @@ # ChangeLog for sci-physics/atompaw -# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*atompaw-3.0.1.4 (18 Apr 2012) + + 18 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz> + -atompaw-3.0.1.ebuild, -atompaw-3.0.1-r1.ebuild, +atompaw-3.0.1.4.ebuild: + A version bump to 3.0.1.4 with transition to autotools-utils. + *atompaw-3.0.1.3 (09 Nov 2011) 09 Nov 2011; Honza Macháček <Hloupy.Honza@centrum.cz> diff --git a/sci-physics/atompaw/Manifest b/sci-physics/atompaw/Manifest index 6e5c674e3..248f57934 100644 --- a/sci-physics/atompaw/Manifest +++ b/sci-physics/atompaw/Manifest @@ -1,5 +1,5 @@ -DIST atompaw-3.0.1.3.tar.gz 3786758 RMD160 28fb2e2180060aea7250636ac4d144d5fd0de2b1 SHA1 8fa1978d7fb1a6dd7682053fe38852f154e1dacd SHA256 1b5bcdf2c3927c93f518ef23b448c04513c74a71f32454c3f381e0fc2b7163b8 -DIST atompaw-3.0.1.tar.gz 3785332 RMD160 68c8f80be0f86fab7373f299fee54f0b5680ead3 SHA1 86d1259a516e7daa0902e259d07a4de93021de2a SHA256 ec1cf11d72227e16ada9b695c1cdd160fee8d58a10b10ba903029779bc5ea73f -DIST atompaw-usersguide.pdf 164947 RMD160 41a3e4691a33820ce566cd99b9c0bc1f9a4a5f0f SHA1 304788ec317ecda0472a767fd001f885e677982c SHA256 cdd33185faa37bde41a875b02d62e05ac647ccec4bd800fc15848135b1c5a426 -DIST atompaw.pdf 334715 RMD160 63ad12eecbfeca830eac57ea70d38e94ded3db6b SHA1 5d7d4a420dfb2f222cc3c441323a130f59e772f8 SHA256 10a70f0c31e4a0a06e31b2b922b938742daf8635c87b95f5a48609555d9397ed -DIST atompawEqns.pdf 198480 RMD160 8f0c5a5f4b75f9527fbec368243d6059968c1188 SHA1 5bf54dd4a67a02cd7698bdd1d1c84202b5b0beba SHA256 181af33190b77b630c1fb94882d0cbc5f79281346f93c25ef4d645806f2c1dc6 +DIST atompaw-3.0.1.3.tar.gz 3786758 SHA256 1b5bcdf2c3927c93f518ef23b448c04513c74a71f32454c3f381e0fc2b7163b8 SHA512 1a5b6d8bbbbdb4987a7a5b2c2f04abed30e9e287f0dc57b3134a23ab7f4ceac2326df6c157c086f0a6f5414a66477e7bf2d9bf4f96f258dd8bec4feeeb929722 WHIRLPOOL 95b4c9468fa39ddaa0c0f6db1349796204fa34a81f6441b20df367d69da7653d2ec7eace0b1a538384b7cba4f6909bad8df30eef7137942b416119116b5959ae +DIST atompaw-3.0.1.4.tar.gz 3785477 SHA256 69c303d28c3698e3ec640b8405b3bfe78a61c2e5a1f5abef92be652040b634db SHA512 adb4fb99647214cae48e81102ca46dfd8500adb5c6a97a62feb0ce2fe48a7fb699f3c873a6b8cef6cd4f856095ab6bbd85f2a941ebcd43ef3d212de22352ed17 WHIRLPOOL 9bfcc48f6d917b33360938186fc55f9982aa25df874380706c17cfe0d6a784379504de737ec2a0eb281e3866011130bf63a92958ff8d6b0308306e4ff1198052 +DIST atompaw-usersguide.pdf 164944 SHA256 f58a989a865e0acb7c58de49ae949446df12660bb93a12f0f59cee2f92ab4afa SHA512 8403647887e0330e75010e989a43bd4b2aa49f0351d7338086715fa05a47580eaa4f733df4211d39d19d742bba3663854c1375c19b374dc29692a9cbe2a83095 WHIRLPOOL 42e379fc40f8d03cdc9022b91dfba34209e320026abdd49d0367626442091a0b8fcd73d3628d2fd9949e654d95dd29ec29183b1a307157769837fc1e54390373 +DIST atompaw.pdf 334715 SHA256 10a70f0c31e4a0a06e31b2b922b938742daf8635c87b95f5a48609555d9397ed SHA512 287f521a10b144bf8c6f59f21a025a8b1e0f6a23d576abe347be8fd41f8577dec0febd289618384d6e7796f0f68bfb41672c9d6d7bf1658f245cff20463ffff7 WHIRLPOOL ae9280374777fd61751d60b4944f3d21aceb86d3b6f4879ced1c26200e33d8ebb08b99e81cffd562e43643274f83bd6d4263360d399acee7eefad3f36791606a +DIST atompawEqns.pdf 198480 SHA256 181af33190b77b630c1fb94882d0cbc5f79281346f93c25ef4d645806f2c1dc6 SHA512 e0b7fcbce906ceda953e000378786d3b679b68a5dd3d1a53b8d41a61e80bfa5a83fa04a6b8945b274ffe351491bffe3bdd801937f1b838f90b21e462fb09b9e9 WHIRLPOOL 9ba9c90df0c368b935fce573a6be30c492819fda4245f10d217bff3576f82b21036aeee837c28e5b694220f2749a6cf7e26b797b2690624dbfbc3bb598cc2bdd diff --git a/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild b/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild deleted file mode 100644 index 1b26df15b..000000000 --- a/sci-physics/atompaw/atompaw-3.0.1-r1.ebuild +++ /dev/null @@ -1,68 +0,0 @@ -# Copyright 1999-2011 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI=3 - -inherit eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="PAW atomic data generator" -HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html" -SRC_URI="http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz - doc? ( http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf - http://www.wfu.edu/~natalie/papers/pwpaw/atompaw-usersguide.pdf - http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc libxc" - -RDEPEND="virtual/lapack - virtual/blas - libxc? ( sci-libs/libxc[fortran] )" -DEPEND="${RDEPEND} - dev-util/pkgconfig" - -src_unpack() { - unpack ${P}.tar.gz - if use doc; then - cp "${DISTDIR}"/atompaw.pdf "${S}"/ - cp "${DISTDIR}"/atompaw-usersguide.pdf "${S}"/ - cp "${DISTDIR}"/atompawEqns.pdf "${S}"/ - fi -} - -src_prepare() { - cd ${S} - epatch ${FILESDIR}/3.0.1-longplot.patch -} - -src_configure() { - local modules="-I/usr/$(get_libdir)/finclude" - econf $(use_enable libxc) \ - --with-linalg-flavor=atlas \ - --with-linalg-libs="$(pkg-config --libs lapack)" \ - --with-libxc-incs="${modules}" \ - --with-libxc-libs="${libs} -lxc" \ - FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \ - CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" -} - -src_compile() { - emake -j1 || die "Make failed" -} - -src_test() { - emake check || die "Test failed" -} - -src_install() { - emake DESTDIR="${D}" install || die "make install failed" - - dodoc README || die "dodoc failed" - - if use doc; then - dodoc atompaw.pdf atompaw-usersguide.pdf atompawEqns.pdf || die "PDF doc failed" - fi -} diff --git a/sci-physics/atompaw/atompaw-3.0.1.4.ebuild b/sci-physics/atompaw/atompaw-3.0.1.4.ebuild new file mode 100644 index 000000000..3e7a2d945 --- /dev/null +++ b/sci-physics/atompaw/atompaw-3.0.1.4.ebuild @@ -0,0 +1,70 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=4 + +inherit autotools-utils fortran-2 multilib toolchain-funcs + +DESCRIPTION="PAW atomic data generator" +HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html" +SRC_URI="http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz + doc? ( http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf + http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="doc libxc" + +RDEPEND="virtual/lapack + virtual/blas + libxc? ( sci-libs/libxc[fortran] )" +DEPEND="${RDEPEND} + dev-util/pkgconfig" + +DOCS=( README ) + +FORTRAN_STANDARD=90 + +src_unpack() { + unpack ${P}.tar.gz + if use doc; then + cp "${DISTDIR}"/atompaw.pdf "${S}"/doc/ + cp "${DISTDIR}"/atompawEqns.pdf "${S}"/doc/ + fi +} + +src_prepare() { + epatch ${FILESDIR}/3.0.1-longplot.patch +} + +src_configure() { + local modules="-I/usr/$(get_libdir)/finclude" + local myeconfargs=( + $(use_enable libxc) + --with-linalg-flavor=atlas + --with-linalg-libs="$(pkg-config --libs lapack)" + --with-libxc-incs="-I/usr/include ${modules}" + --with-libxc-libs="${libs} -lxc" + FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" + CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" + ) + autotools-utils_src_configure +} + +src_compile() { + autotools-utils_src_compile -j1 +} + +src_test() { + use test && autotools-utils_src_test +} + +src_install() { + autotools-utils_src_install + + if use doc; then + dodoc doc/atompaw.pdf doc/atompawEqns.pdf || die "PDF doc failed" + fi +} diff --git a/sci-physics/atompaw/atompaw-3.0.1.ebuild b/sci-physics/atompaw/atompaw-3.0.1.ebuild deleted file mode 100644 index 41a0bcf4f..000000000 --- a/sci-physics/atompaw/atompaw-3.0.1.ebuild +++ /dev/null @@ -1,66 +0,0 @@ -# Copyright 1999-2011 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI=3 - -inherit eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="PAW atomic data generator" -HOMEPAGE="http://www.wfu.edu/~natalie/papers/pwpaw/man.html" -SRC_URI=" - http://www.wfu.edu/~natalie/papers/pwpaw/${P}.tar.gz - doc? ( - http://www.wfu.edu/~natalie/papers/pwpaw/atompaw.pdf - http://www.wfu.edu/~natalie/papers/pwpaw/atompaw-usersguide.pdf - http://www.wfu.edu/~natalie/papers/pwpaw/notes/atompaw/atompawEqns.pdf )" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="doc libxc" - -RDEPEND=" - virtual/lapack - virtual/blas - libxc? ( sci-libs/libxc[fortran] )" -DEPEND="${RDEPEND} - dev-util/pkgconfig" - -src_unpack() { - unpack ${P}.tar.gz - if use doc; then - cp "${DISTDIR}"/atompaw.pdf "${S}"/ - cp "${DISTDIR}"/atompaw-usersguide.pdf "${S}"/ - cp "${DISTDIR}"/atompawEqns.pdf "${S}"/ - fi -} - -src_configure() { - local modules="-I/usr/$(get_libdir)/finclude" - econf $(use_enable libxc) \ - --with-linalg-flavor=atlas \ - --with-linalg-libs="$(pkg-config --libs lapack)" \ - --with-libxc-incs="${modules}" \ - --with-libxc-libs="${libs} -lxc" \ - FC="$(tc-getFC)" FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \ - CC="$(tc-getCC)" LDFLAGS="${LDFLAGS:- ${CFLAGS:- -O2}}" -} - -src_compile() { - emake -j1 || die "Make failed" -} - -src_test() { - emake check || die "Test failed" -} - -src_install() { - emake DESTDIR="${D}" install || die "make install failed" - - dodoc README || die "dodoc failed" - - if use doc; then - dodoc atompaw.pdf atompaw-usersguide.pdf atompawEqns.pdf || die "PDF doc failed" - fi -} diff --git a/sci-physics/elk/ChangeLog b/sci-physics/elk/ChangeLog index 34c82fc89..b184d1ce9 100644 --- a/sci-physics/elk/ChangeLog +++ b/sci-physics/elk/ChangeLog @@ -1,7 +1,12 @@ # ChangeLog for sci-physics/elk -# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 +# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*elk-1.4.18 (18 Apr 2012) + + 18 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz> +elk-1.4.18.ebuild: + A version bump to 1.4.18. + *elk-1.4.5 (14 Dec 2011) 14 Dec 2011; Honza Macháček <Hloupy.Honza@centrum.cz> elk-1.3.15.ebuild, diff --git a/sci-physics/elk/Manifest b/sci-physics/elk/Manifest index 691e2f6ba..88dada474 100644 --- a/sci-physics/elk/Manifest +++ b/sci-physics/elk/Manifest @@ -1,2 +1,3 @@ -DIST elk-1.3.15.tgz 1834503 RMD160 584eab8a026abad3b669cafee75103d6089025c2 SHA1 e4cc2e696f90c96b3a07f5b9a12de50c0123e9a0 SHA256 6e35d1c3830aeea0fe8016e25efa9debddf0e4bd90fe910520a35608a2f81fcf -DIST elk-1.4.5.tgz 1851444 RMD160 a73b86ef1e4843ec23962e56973dc1082f8f7d8f SHA1 8de1a106ccfbd1a0014ecd83d61df677ec00da23 SHA256 84c4e19da2d76e25f0395343aa6e7ecf883a9a870d7b1c5256336e220d1fbb9e +DIST elk-1.3.15.tgz 1834503 SHA256 6e35d1c3830aeea0fe8016e25efa9debddf0e4bd90fe910520a35608a2f81fcf SHA512 ab18c78616447abdba7f82215cf4f10ff26eb052e47693266246b60225a436d21f877f5b97f3e62c0a91d2fd267c9e017568e8d5a80e488835d279d40494cf1e WHIRLPOOL fc528cd6e4ca0ddf42996f126aaf7cbcfd65bcc284faa9c0eb84cfcfae1055f20c83aea8dc5bfefeacb4a29755980f5881ec2fecc8fabb648727780c4b1cea93 +DIST elk-1.4.18.tgz 1855415 SHA256 14df155a254f0d0b24ffa98a3a25130e1d55f652f87f1f20781bb45169a20281 SHA512 5bcae5903aa6880fa43000f43e2f6aa5789d20107e0dd004104821ae39e663d6e1172441c3b69ed214fde0b6786450be16800116c0905288afc6fe644c8190a2 WHIRLPOOL dddb8b8eca84484bb1d8906ba2ccb53659509f7624b7b602758857c81a3f7e81c0f8b17037c1dd760c5bfdec47e57e92d88fda956bd1c2feb3b41bb42812925f +DIST elk-1.4.5.tgz 1851444 SHA256 84c4e19da2d76e25f0395343aa6e7ecf883a9a870d7b1c5256336e220d1fbb9e SHA512 8fdecd8e11a3b53e8a891963d005d753cc06ce3c5a27cfe581f2d64edbdc620551d3a91ce31be31f50fce60beb402562662b215e64ae93e4dbf507910c31e7be WHIRLPOOL 6b463d09e1e5e75e8a08cc9224a57d93927ce1998653872ace73f1bf9bcf3f9a826eaea284319bdb85f19da16523430ff62496171a4b497103f8bc45d00e2391 diff --git a/sci-physics/elk/elk-1.4.18.ebuild b/sci-physics/elk/elk-1.4.18.ebuild new file mode 100644 index 000000000..27b3f3af5 --- /dev/null +++ b/sci-physics/elk/elk-1.4.18.ebuild @@ -0,0 +1,115 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI="4" + +inherit eutils fortran-2 multilib toolchain-funcs + +DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features." +HOMEPAGE="http://elk.sourceforge.net/" +SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="-debug lapack libxc mpi openmp perl test" + +RDEPEND="lapack? ( virtual/blas + virtual/lapack ) + libxc? ( =sci-libs/libxc-1*[fortran] ) + mpi? ( virtual/mpi )" +DEPEND="${RDEPEND} + perl? ( dev-lang/perl ) + dev-util/pkgconfig" + +DOCS=( README ) + +FORTRAN_STANDARD=90 + +pkg_setup() { + # fortran-2.eclass does not handle mpi wrappers + if use mpi; then + export FC="mpif90" + export F77="mpif77" + export CC="mpicc" + export CXX="mpic++" + else + tc-export FC F77 CC CXX + fi + + if use openmp; then + FORTRAN_NEED_OPENMP=1 + fi + + fortran-2_pkg_setup + + if use openmp; then + export FC="${FC} -fopenmp" + export F77="${F77} -fopenmp" + export CC="${CC} -fopenmp" + export CXX="${CXX} -fopenmp" + fi +} + +src_prepare() { + if use libxc; then + sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" + fi + if use mpi; then + sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" + fi +} + +src_configure() { + FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}" + FCFLAGS="${FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude" + CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}" + CXXFLAGS="${CXXFLAGS:- ${CFLAGS}}" + export FCFLAGS CFLAGS CXXFLAGS + echo "MAKE = make" > make.inc + echo "F90 = $FC" >> make.inc + echo "F90_OPTS = $FCFLAGS" >> make.inc + echo "F77 = $FC" >> make.inc + echo "F77_OPTS = $FCFLAGS" >> make.inc + echo "CC = ${CC}" >> make.inc + echo "CXX = ${CXX}" >> make.inc + echo "CFLAGS = ${CFLAGS}" >> make.inc + echo "CXXFLAGS = ${CXXFLAGS}" >> make.inc + echo "LD = $(tc-getLD)" >> make.inc + echo "AR = ar" >> make.inc + echo "LIB_SYS = " >> make.inc + if use lapack; then + echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc + else + echo "LIB_LPK = lapack.a blas.a" >> make.inc + fi + echo "LIB_FFT = fftlib.a" >> make.inc + if use libxc; then + echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc + echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc + fi +} + +src_compile() { + emake -j1 || die "make failed" +} + +src_test() { + emake test +} + +src_install() { + dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup + dobin utilities/elk-bands + use perl && dobin utilities/xps_exc.pl utilities/se.pl + dodoc README + for doc in docs/*; do + dodoc $doc + done + insinto /usr/share/${P} + doins -r species + doins -r utilities + doins -r examples + doins -r tests +} |