2021-07-18 23:36:43 UTC

3 files changed, 35 insertions, 3 deletions

diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-2021.1 b/metadata/md5-cache/sci-chemistry/votca-csg-2021.1
new file mode 100644
index 000000000000..95493728757d
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-2021.1
@@ -0,0 +1,16 @@
+BDEPEND=>=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja dev-util/cmake
+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-2021.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
+DESCRIPTION=Votca coarse-graining engine
+EAPI=7
+HOMEPAGE=https://www.votca.org/
+INHERIT=bash-completion-r1 cmake
+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-2021.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
+RESTRICT=!test? ( test )
+SLOT=0
+SRC_URI=https://github.com/votca/csg/archive/v2021.1.tar.gz -> votca-csg-2021.1.tar.gz examples? ( https://github.com/votca/csg-tutorials/archive/v2021.1.tar.gz -> votca-csg-tutorials-2021.1.tar.gz )
+_eclasses_=toolchain-funcs	9ea1c67b6f8315fdc2568abb674519aa	multilib	97566c1a256d07b00848aa767e38a352	bash-completion-r1	d3a60385655d9b402be765a6de333245	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	edos2unix	33e347e171066657f91f8b0c72ec8773	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	wrapper	4251d4c84c25f59094fd557e0063a974	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	4134b5c0fb719b9161d10bdaba9e09e5	xdg-utils	27f9a2f19502b925ac117bd657aa2979	cmake	518e4c9a6a38dfd7afc54b6a7c5de3da
+_md5_=36697845e114dda663872b4f39c17710
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-2021.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-2021.1
new file mode 100644
index 000000000000..cbef0fc6808f
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/votca-xtp-2021.1
@@ -0,0 +1,16 @@
+BDEPEND=virtual/pkgconfig dev-util/ninja dev-util/cmake
+DEFINED_PHASES=compile configure install postinst prepare test
+DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021.1 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021.1
+DESCRIPTION=Votca excitation and charge properties module
+EAPI=7
+HOMEPAGE=https://www.votca.org/
+INHERIT=bash-completion-r1 cmake
+IUSE=test
+KEYWORDS=~amd64 ~x86 ~amd64-linux
+LICENSE=Apache-2.0
+RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021.1 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021.1
+RESTRICT=!test? ( test )
+SLOT=0
+SRC_URI=https://github.com/votca/xtp/archive/v2021.1.tar.gz -> votca-xtp-2021.1.tar.gz
+_eclasses_=toolchain-funcs	9ea1c67b6f8315fdc2568abb674519aa	multilib	97566c1a256d07b00848aa767e38a352	bash-completion-r1	d3a60385655d9b402be765a6de333245	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	edos2unix	33e347e171066657f91f8b0c72ec8773	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	wrapper	4251d4c84c25f59094fd557e0063a974	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	4134b5c0fb719b9161d10bdaba9e09e5	xdg-utils	27f9a2f19502b925ac117bd657aa2979	cmake	518e4c9a6a38dfd7afc54b6a7c5de3da
+_md5_=8263546cfc693f6fe224a55c0a16dafd
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-9999 b/metadata/md5-cache/sci-chemistry/votca-xtp-9999
index 6c4a214ef4dd..5551f16c236b 100644
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-9999
+++ b/metadata/md5-cache/sci-chemistry/votca-xtp-9999
@@ -1,6 +1,6 @@
 BDEPEND=virtual/pkgconfig dev-util/ninja dev-util/cmake >=dev-vcs/git-1.8.2.1[curl]
 DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/hdf5[cxx] sci-libs/libecpint sci-libs/libxc ~sci-libs/votca-tools-9999
+DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/hdf5[cxx] sci-libs/libecpint sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-9999
 DESCRIPTION=Votca excitation and charge properties module
 EAPI=7
 HOMEPAGE=https://www.votca.org/
@@ -8,8 +8,8 @@ INHERIT=bash-completion-r1 cmake git-r3
 IUSE=test
 LICENSE=Apache-2.0
 PROPERTIES=live
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/hdf5[cxx] sci-libs/libecpint sci-libs/libxc ~sci-libs/votca-tools-9999
+RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/hdf5[cxx] sci-libs/libecpint sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-9999
 RESTRICT=!test? ( test )
 SLOT=0
 _eclasses_=toolchain-funcs	9ea1c67b6f8315fdc2568abb674519aa	multilib	97566c1a256d07b00848aa767e38a352	bash-completion-r1	d3a60385655d9b402be765a6de333245	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	edos2unix	33e347e171066657f91f8b0c72ec8773	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	wrapper	4251d4c84c25f59094fd557e0063a974	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	4134b5c0fb719b9161d10bdaba9e09e5	xdg-utils	27f9a2f19502b925ac117bd657aa2979	cmake	518e4c9a6a38dfd7afc54b6a7c5de3da	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da
-_md5_=38744417d995f9e3eeeaab8156f21668
+_md5_=3ba46831b4efbed133f5cb003e610635