From c719fdcee603a5a706a45d10cb598762d56a727d Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sat, 25 Sep 2021 20:21:45 +0100 Subject: gentoo resync : 25.09.2021 --- metadata/md5-cache/sci-chemistry/Manifest.gz | Bin 14203 -> 14527 bytes metadata/md5-cache/sci-chemistry/tinker-8.2.1 | 2 +- metadata/md5-cache/sci-chemistry/votca-csg-2021.2 | 15 +++++++++++++++ metadata/md5-cache/sci-chemistry/votca-xtp-2021.2 | 15 +++++++++++++++ 4 files changed, 31 insertions(+), 1 deletion(-) create mode 100644 metadata/md5-cache/sci-chemistry/votca-csg-2021.2 create mode 100644 metadata/md5-cache/sci-chemistry/votca-xtp-2021.2 (limited to 'metadata/md5-cache/sci-chemistry') diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz index 3daa0fbed580..b5858451525c 100644 Binary files a/metadata/md5-cache/sci-chemistry/Manifest.gz and b/metadata/md5-cache/sci-chemistry/Manifest.gz differ diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 index 38890baf7b2e..6eb5050f7fcd 100644 --- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 +++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1 @@ -10,5 +10,5 @@ RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar ! RESTRICT=mirror SLOT=0 SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz -_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 eapi7-ver 1a0a60ad07c8b32d2faba2d085dc0f24 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 9f813bb3c47cf2e60619a663b87c5f4e estack 055c42df72f76a4f45ec92b35e83cd56 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 fortran-2 7e39eb204d37699d5f1eaf9f4d61888a java-pkg-opt-2 bf35c60a54945228d5d4cb3a5cc17f5a java-utils-2 ac9fb9efa5413c5fb85a4203fe930e88 ltprune 4f3f2db5ce3ccbeeacdf3f94954043aa multilib 4b66d835ec72e021e359bb81eacfe988 preserve-libs dbc9f8d2d49c66467bc327fddd8317bd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa vcs-clean b690a7e9b6c497cf59326a7545df4283 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4251d4c84c25f59094fd557e0063a974 +_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 eapi7-ver 1a0a60ad07c8b32d2faba2d085dc0f24 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 9f813bb3c47cf2e60619a663b87c5f4e estack 055c42df72f76a4f45ec92b35e83cd56 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 fortran-2 7e39eb204d37699d5f1eaf9f4d61888a java-pkg-opt-2 bf35c60a54945228d5d4cb3a5cc17f5a java-utils-2 8a3af9303fdbeca4510a6ba6e91b1460 ltprune 4f3f2db5ce3ccbeeacdf3f94954043aa multilib 4b66d835ec72e021e359bb81eacfe988 preserve-libs dbc9f8d2d49c66467bc327fddd8317bd strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa vcs-clean b690a7e9b6c497cf59326a7545df4283 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4251d4c84c25f59094fd557e0063a974 _md5_=fb598b8d929f5e0c789410edc0a98c00 diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-2021.2 b/metadata/md5-cache/sci-chemistry/votca-csg-2021.2 new file mode 100644 index 000000000000..c2b54121ef82 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-csg-2021.2 @@ -0,0 +1,15 @@ +BDEPEND=>=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5 +DEFINED_PHASES=compile configure install postinst prepare test unpack +DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.2 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) +DESCRIPTION=Votca coarse-graining engine +EAPI=7 +HOMEPAGE=https://www.votca.org/ +IUSE=examples extras +gromacs hdf5 test +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=Apache-2.0 +RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.2 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) +RESTRICT=!test? ( test ) +SLOT=0 +SRC_URI=https://github.com/votca/csg/archive/v2021.2.tar.gz -> votca-csg-2021.2.tar.gz examples? ( https://github.com/votca/csg-tutorials/archive/v2021.2.tar.gz -> votca-csg-tutorials-2021.2.tar.gz ) +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979 +_md5_=36697845e114dda663872b4f39c17710 diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-2021.2 b/metadata/md5-cache/sci-chemistry/votca-xtp-2021.2 new file mode 100644 index 000000000000..6ebd1350904e --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-xtp-2021.2 @@ -0,0 +1,15 @@ +BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5 +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021.2 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021.2 +DESCRIPTION=Votca excitation and charge properties module +EAPI=7 +HOMEPAGE=https://www.votca.org/ +IUSE=test +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=Apache-2.0 +RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021.2 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021.2 +RESTRICT=!test? ( test ) +SLOT=0 +SRC_URI=https://github.com/votca/xtp/archive/v2021.2.tar.gz -> votca-xtp-2021.2.tar.gz +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic 4134b5c0fb719b9161d10bdaba9e09e5 multilib 4b66d835ec72e021e359bb81eacfe988 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 9ea1c67b6f8315fdc2568abb674519aa wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 27f9a2f19502b925ac117bd657aa2979 +_md5_=8263546cfc693f6fe224a55c0a16dafd -- cgit v1.2.3