diff options
Diffstat (limited to 'sci-physics/lammps')
-rw-r--r-- | sci-physics/lammps/ChangeLog | 77 | ||||
-rw-r--r-- | sci-physics/lammps/Manifest | 8 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20130816.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20130830.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20130917.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20130923.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20130930.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20131111.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20131123.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/lammps-20131201.ebuild | 114 | ||||
-rw-r--r-- | sci-physics/lammps/metadata.xml | 31 |
11 files changed, 0 insertions, 1028 deletions
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog deleted file mode 100644 index 76ef3a916..000000000 --- a/sci-physics/lammps/ChangeLog +++ /dev/null @@ -1,77 +0,0 @@ -# ChangeLog for sci-physics/lammps -# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 -# $Header: $ - - 22 Dec 2013; Christoph Junghans <ottxor@gentoo.org> lammps-20130816.ebuild, - lammps-20130830.ebuild, lammps-20130917.ebuild, lammps-20130923.ebuild, - lammps-20130930.ebuild, lammps-20131111.ebuild, lammps-20131123.ebuild, - lammps-20131201.ebuild: - remove elog message - - 13 Dec 2013; Nicolas Bock <nicolasbock@gentoo.org> metadata.xml: - sci-physics/lammps: updated maintainer email to gentoo.org - -*lammps-20131201 (04 Dec 2013) - - 04 Dec 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20131201.ebuild: - sci-physics/lammps: Version bump to 20121201. - -*lammps-20131123 (22 Nov 2013) - - 22 Nov 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20131123.ebuild: - sci-physics/lammps-20131123: Version bump. - -*lammps-20131111 (11 Nov 2013) - - 11 Nov 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20131111.ebuild: - sci-physics/lammps-20131111: Version bump. - -*lammps-20130930 (16 Oct 2013) - - 16 Oct 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130930.ebuild: - sci-physics/lammps-20130930: Version bump. - -*lammps-20130923 (27 Sep 2013) - - 27 Sep 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130923.ebuild, - -lammps-20130701.ebuild, -lammps-20130708.ebuild, -lammps-20130711.ebuild: - sci-physics/lammps-20130923: Version bump. I also removed older versions to - clean up a bit. - -*lammps-20130917 (18 Sep 2013) - - 18 Sep 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130917.ebuild: - sci-physics/lammps-20130917: Version bump. - -*lammps-20130830 (02 Sep 2013) - - 02 Sep 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130830.ebuild: - sci-physics/lammps: Version bump to 20130830. - -*lammps-20130816 (13 Aug 2013) - - 13 Aug 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130816.ebuild: - sci-physics/lammps-20130816: Version bump. - -*lammps-20130711 (16 Jul 2013) - - 16 Jul 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130711.ebuild: - Version bump to sci-physics/lammps-20130711 - - 09 Jul 2013; Nicolas Bock <nicolasbock@gmail.com> lammps-20130708.ebuild: - sci-physics/lammps: Fixed repoman warning. - -*lammps-20130708 (09 Jul 2013) - - 09 Jul 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130708.ebuild: - Added current version: sci-physics/lammps-20130708. * Fixed bug in lammps to - gentoo version string conversion. In bash arithmetic operations, a string - literal with a leading "0" is interpreted in base 8. * Added potentials, which - were not installed in previous versions. * Moved examples from - /usr/share/doc/${PF} to /usr/share/lammps-${PF}. - -*lammps-20130701 (03 Jul 2013) - - 03 Jul 2013; Nicolas Bock <nicolasbock@gmail.com> +lammps-20130701.ebuild, - +metadata.xml: - Version bump to 1-Jul-2013. diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest deleted file mode 100644 index 78879459e..000000000 --- a/sci-physics/lammps/Manifest +++ /dev/null @@ -1,8 +0,0 @@ -DIST lammps-11Nov13.tar.gz 57121119 SHA256 911035f4a428b4abfe744239fd54660a8caefcf70bc5abea820ff6c4baec9ad9 SHA512 7fa1d20834c2b58277c54ec36b286099eb29728f73a28c596285eed37c7ca0f1dfe22460eb49000d3586c88c00a0051cf73c35f718b1cd9fd1bb41aabe710021 WHIRLPOOL c79b4be1cc7dd8d038d9b4e523ec71229122de9b9d0f98d93e6255896f8f5b68dd38f5264146f22d206dee32ed5a972a881b9160f0a3b52b053613582aecf38b -DIST lammps-16Aug13.tar.gz 48337879 SHA256 740d35046961df7ea2dd39e2b7a28e5ff1414f283ac9f568986bd1f2b8b036d9 SHA512 1e56751b94e2af8487c77066846cad7e3a98b7f990a90db9b57e32dc8e3c0a4b9be3431a92f393962fb703ce4957c1d2580545e27549e47a3207e88ec158aa8d WHIRLPOOL d3d442d1d7e9e0267de2a637fd44c87df6dc8eaad61de28cc1aa75d93b49b7877c1de21df251fc8d812e36391f2c5d5e7a75b4b349e6749e9efb9b5266edeb77 -DIST lammps-17Sep13.tar.gz 49985563 SHA256 607f6bfadd644bfa8403af1f38d28b4b36bc8d2fe50f09514c7fa13c2d180cbb SHA512 fb303d26846ea3cf42cd6fae2a641989b1debd5c3c4482f006293cb9ace91040faf7bfdc9fbb7c99934414fbeb8b85899c7ff8ce7239a0c3d698a0e1187ae3c6 WHIRLPOOL bd1e308845880831d404447b88784a769c18c472cd22463b949e22a6444de0ffe7826ed2ffc238d909429e2b58c024d368f2c7ee870bda41172958cff840b394 -DIST lammps-1Dec13.tar.gz 57750078 SHA256 44ef69f31f2066fec31a6b7c9511395c21ead00030d3a5e00efa7eb27e6314d9 SHA512 1c5b0f5e9e2e09243f6ec3ac045021f8506626f8311082fb57314246f25f7ea6bd90dacd3d89db6561d5f0039f6476fd1d9e6d09c57c1bcc63be53ac519aec07 WHIRLPOOL ea3796dbca79f97eb7f9fc5f72972a882357108792f7bb96a8a5e7f3f1614917b452e129143b4e12964e51aeaa80dde6e414ec3f4a89220a3d36d012a829f2d7 -DIST lammps-23Nov13.tar.gz 57113682 SHA256 2291e26b7bc3e640f1fbd9ffebbaa2173b665fa9d3757b1eb2aa73bc7837876c SHA512 68758c58f6b8f3b554cad18e610da06875e4abfd0ddb9d85da079ccc52f8d1fce5b3447d9b7c7c607a2e887b2d71af04f221bbe96e13d4276702054338537a2a WHIRLPOOL b9aab585fd735e31beb59c5f1ce1187da8d4235aefbc1a83e89b410f79299c39f37d9157cc3549a139f9746d7b22cf2b2277609c0d675fee6cc35e67ca0c026e -DIST lammps-23Sep13.tar.gz 50063308 SHA256 0d8c575dc137a67865bbfc408f60dd7d3c74371c48d5f64f884dcfa02501a6d4 SHA512 0ffa44fe9e2ad3d16b0c23699e3a9c114c7731f49b5b7b561fda2f811c57bc273ad236cb9a091eb9bcf98324ee6451689c769cfc418046af0024862f99f81e17 WHIRLPOOL aa3c23c95071594453d585596d8cac0ecd5909a342143fdee78f9d97e205c32faa0705b6341028529bf8347c55f5f5f8e74f408010545e1154e6375e4566c7f6 -DIST lammps-30Aug13.tar.gz 48632345 SHA256 8d20ab00412feda5c9869de0188c52fb77f1faa51b317f09706eff35e651d961 SHA512 9722a3a4a7adc3387014650bd5a3ed18f3081065791507d0c39227a394f375f10a8ffbb5510fac24fcc6e84a40b98c0ad21d576969824284e65be94c445e5a24 WHIRLPOOL 50c6f4aed0ef21aa9078eb16ea15f6d6a89bc24316a40183ac993fbf3fecca2c55a5bcf1715cfbecff24ea07e96c55ba082679b11926c50f6ac2da2ec17547e4 -DIST lammps-30Sep13.tar.gz 50062591 SHA256 a39df3b158e1cc587e5f25e2aba6c3dd4696d90a30e1067b17bf64a9ebcc5795 SHA512 f6caf05d19bff3b2bf39cda55ca85966b09cf2f0a6bdbe60c4c9daa8caf13e409270db9a37e6d28267b35b5f262cdb8ae2e36095f9c942515368d9e6d8c5020b WHIRLPOOL 60236db937618d15e9b61f7aeeeecfe8273b17ff9798c91790d9a31a7578c17bb6dfcd72bbaed861f16d7df07a18348adfadf4ac5fcb8ebe32c9fa966b6c73b1 diff --git a/sci-physics/lammps/lammps-20130816.ebuild b/sci-physics/lammps/lammps-20130816.ebuild deleted file mode 100644 index 93a69ed1f..000000000 --- a/sci-physics/lammps/lammps-20130816.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20130830.ebuild b/sci-physics/lammps/lammps-20130830.ebuild deleted file mode 100644 index 93a69ed1f..000000000 --- a/sci-physics/lammps/lammps-20130830.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20130917.ebuild b/sci-physics/lammps/lammps-20130917.ebuild deleted file mode 100644 index 93a69ed1f..000000000 --- a/sci-physics/lammps/lammps-20130917.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20130923.ebuild b/sci-physics/lammps/lammps-20130923.ebuild deleted file mode 100644 index 93a69ed1f..000000000 --- a/sci-physics/lammps/lammps-20130923.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20130930.ebuild b/sci-physics/lammps/lammps-20130930.ebuild deleted file mode 100644 index fe4c7ad49..000000000 --- a/sci-physics/lammps/lammps-20130930.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20131111.ebuild b/sci-physics/lammps/lammps-20131111.ebuild deleted file mode 100644 index fe4c7ad49..000000000 --- a/sci-physics/lammps/lammps-20131111.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20131123.ebuild b/sci-physics/lammps/lammps-20131123.ebuild deleted file mode 100644 index fe4c7ad49..000000000 --- a/sci-physics/lammps/lammps-20131123.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/lammps-20131201.ebuild b/sci-physics/lammps/lammps-20131201.ebuild deleted file mode 100644 index fe4c7ad49..000000000 --- a/sci-physics/lammps/lammps-20131201.ebuild +++ /dev/null @@ -1,114 +0,0 @@ -# Copyright 1999-2013 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $ - -EAPI=5 - -FORTRAN_NEEDED="package-meam" - -inherit eutils fortran-2 - -convert_month() { - case $1 in - 01) echo Jan - ;; - 02) echo Feb - ;; - 03) echo Mar - ;; - 04) echo Apr - ;; - 05) echo May - ;; - 06) echo Jun - ;; - 07) echo Jul - ;; - 08) echo Aug - ;; - 09) echo Sep - ;; - 10) echo Oct - ;; - 11) echo Nov - ;; - 12) echo Dec - ;; - *) echo unknown - ;; - esac -} - -MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2} - -DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" -HOMEPAGE="http://lammps.sandia.gov/" -SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64" -IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" - -DEPEND="mpi? ( virtual/mpi )" -RDEPEND="${DEPEND}" - -S="${WORKDIR}/${MY_P}" - -lmp_emake() { - local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')" - LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')" - - # Note: The lammps makefile uses CC to indicate the C++ compiler. - emake \ - ARCHIVE=$(tc-getAR) \ - CC=$(usex mpi "mpic++" "$(tc-getCXX)") \ - F90=$(usex mpi "mpif90" "$(tc-getFC)") \ - LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \ - CCFLAGS="${CXXFLAGS}" \ - F90FLAGS="${FCFLAGS}" \ - LINKFLAGS="${LDFLAGS}" \ - LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ - MPI_INC=$(usex mpi '' "-I../STUBS") \ - MPI_PATH=$(usex mpi '' '-L../STUBS') \ - MPI_LIB=$(usex mpi '' '-lmpi_stubs') \ - "$@" -} - -src_compile() { - # Compile stubs for serial version. - use mpi || lmp_emake -C src stubs - - # Build optional packages. - if use package-meam; then - lmp_emake -C src yes-meam - lmp_emake -j1 -C lib/meam -f Makefile.gfortran - fi - use package-dipole && emake -C src yes-dipole - use package-rigid && emake -C src yes-rigid - - # Compile. - lmp_emake -C src serial -} - -src_install() { - newbin "src/lmp_serial" "lmp" - - local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials" - insinto "${LAMMPS_POTENTIALS}" - doins potentials/* - echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps - doenvd 99lammps - - if use examples; then - local LAMMPS_EXAMPLES="/usr/share/${PF}/examples" - insinto "${LAMMPS_EXAMPLES}" - doins -r examples/* - fi - - dodoc README - if use doc; then - dodoc doc/Manual.pdf - dohtml -r doc/* - fi -} diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml deleted file mode 100644 index 7a1dc9492..000000000 --- a/sci-physics/lammps/metadata.xml +++ /dev/null @@ -1,31 +0,0 @@ -<?xml version="1.0" encoding="UTF-8"?> -<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> -<pkgmetadata> - <longdescription lang="en"> - LAMMPS is a classical molecular dynamics code, and an acronym for - Large-scale Atomic/Molecular Massively Parallel Simulator. - - LAMMPS has potentials for soft materials (biomolecules, polymers) and - solid-state materials (metals, semiconductors) and coarse-grained or - mesoscopic systems. It can be used to model atoms or, more generically, - as a parallel particle simulator at the atomic, meso, or continuum - scale. - - LAMMPS runs on single processors or in parallel using message-passing - techniques and a spatial-decomposition of the simulation domain. The - code is designed to be easy to modify or extend with new functionality. - </longdescription> - <use> - <flag name="lammps-memalign">Enables the use of the posix_memalign() - call instead of malloc() when large chunks or memory are allocated - by LAMMPS</flag> - <flag name="package-meam">modified EAM potential</flag> - <flag name="package-dipole">point dipole particles</flag> - <flag name="package-rigid">rigid bodies</flag> - </use> - <herd>sci-physics</herd> - <maintainer> - <email>nicolasbock@gentoo.org</email> - </maintainer> -</pkgmetadata> - |