diff options
Diffstat (limited to 'sci-chemistry/tinker')
| -rw-r--r-- | sci-chemistry/tinker/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/tinker/metadata.xml | 3 | ||||
| -rw-r--r-- | sci-chemistry/tinker/tinker-8.2.1-r1.ebuild (renamed from sci-chemistry/tinker/tinker-8.2.1.ebuild) | 30 |
3 files changed, 21 insertions, 16 deletions
diff --git a/sci-chemistry/tinker/Manifest b/sci-chemistry/tinker/Manifest index c426121ecf3e..0d3471385728 100644 --- a/sci-chemistry/tinker/Manifest +++ b/sci-chemistry/tinker/Manifest @@ -1,4 +1,4 @@ AUX 8.2.1-openmp.patch 559 BLAKE2B 254a7b5d5d40bec938420527ad77e4ec96b9cee50392137eab3370df35a00a00b9488b5cd95c4e3c52d4904a6093216a782f52c82c2141cd913c6cf10f2fbcc7 SHA512 799b488ddba95ec75c2f5f97bdba10e297cad12d23239354b7d66af47b4e9ef1496e8f6b8a7446f85827a8303105af7552616bc865a4e8114b89d3e6e3302ed6 DIST tinker-8.2.1.tar.gz 33015410 BLAKE2B 0b7c94662248761459cf9d681056f5cf9c4d669a790a522f23f800bf355235f6a9f392e008b13d14cf1e17d9725abb6512077c24ff7772108d69c9cf35b43e6e SHA512 5039078781d1ce226456882dd95ad15715f1e91829d26efcdb29ceedc213973883699eb6710b0a162a74208809305b7fee734b175139e6df63d0460fe5751ae7 -EBUILD tinker-8.2.1.ebuild 2310 BLAKE2B bec87fef793e09143154b3d22b60dd7532469e87c10a67378b8fd87273b61b577478a7f21622ce6432339f8ca864cb3271aa23a20bb62f46269504d510869cf3 SHA512 9226fc0afc7e7d545376f09cda475f5ed7eda11cddcf099e4ecf4cd62ae478a4def5498a7ff5ebc8d80c32c54783fbb017e482aa322ca9e91f33204c79bd96c4 -MISC metadata.xml 266 BLAKE2B a03b1fcf7148cf43fb829f619c218219bcd4e66c45d12f563113401e3ae0b06cb0df9a8c0af01ea97e21453638d627d420e7df5b9b0d330ef1752253faa8aa32 SHA512 1dc293fa0d0296eba18ac2cbcd57f47ffc6cc822bf0d76e1cc86cb046700201f703d705375b5555b88cbe8780ef3750be05b8f9f8de092693e6d165c1734e049 +EBUILD tinker-8.2.1-r1.ebuild 2387 BLAKE2B 2eec46ab90656d4336f4c130bac95f76aae850ce7bea72ce7ba5fde37897f4345c7ff8e714190dad5279592ad51fae37b5c96190614a67725d6f23c534ca94c3 SHA512 f89dcf18394067c9485fb8a85c8a6bd841bf485f3deb6671ed457e995bf008e6db64206b0903cda9e0e86dd4ffc9253ee2f1f8b469688d044e629c506a5c3abb +MISC metadata.xml 349 BLAKE2B e2a70d46ddb77f5ea51a0d6d378cdcbe2c897464127bd86c34ec43615588a509ff038e035c24855c305248789eb0708d51d21208d2cc65e8507e4f767172582f SHA512 0cb63aaf7aadd62ea12289936ea25c8f5233c8784af96b71f103794d6bd7e0711b53728a2840f5768df2652c0b19e220b1f35223dbf27fc65f7871b6e3b4c756 diff --git a/sci-chemistry/tinker/metadata.xml b/sci-chemistry/tinker/metadata.xml index d4ff1000a775..9bfb6f28bafc 100644 --- a/sci-chemistry/tinker/metadata.xml +++ b/sci-chemistry/tinker/metadata.xml @@ -5,4 +5,7 @@ <email>sci-chemistry@gentoo.org</email> <name>Gentoo Chemistry Project</name> </maintainer> + <upstream> + <remote-id type="github">TinkerTools/tinker</remote-id> + </upstream> </pkgmetadata> diff --git a/sci-chemistry/tinker/tinker-8.2.1.ebuild b/sci-chemistry/tinker/tinker-8.2.1-r1.ebuild index a54f1ecb210d..9964b16b549f 100644 --- a/sci-chemistry/tinker/tinker-8.2.1.ebuild +++ b/sci-chemistry/tinker/tinker-8.2.1-r1.ebuild @@ -1,33 +1,34 @@ -# Copyright 1999-2022 Gentoo Authors +# Copyright 1999-2023 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 -EAPI=6 +EAPI=8 -inherit flag-o-matic fortran-2 java-pkg-opt-2 toolchain-funcs +inherit flag-o-matic fortran-2 java-pkg-2 toolchain-funcs DESCRIPTION="Molecular modeling package that includes force fields, such as AMBER and CHARMM" -HOMEPAGE="http://dasher.wustl.edu/tinker/" -SRC_URI="http://dasher.wustl.edu/${PN}/downloads/${P}.tar.gz" +HOMEPAGE="https://dasher.wustl.edu/tinker/" +SRC_URI="https://dasher.wustl.edu/${PN}/downloads/${P}.tar.gz" SLOT="0" LICENSE="Tinker" KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" IUSE="examples" +RESTRICT="mirror" -RDEPEND=" +COMMON_DEPEND=" >=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !dev-util/diffuse - >=virtual/jre-1.6 +" +RDEPEND="${COMMON_DEPEND} + >=virtual/jre-1.8:* " DEPEND=" - ${RDEPEND} - >=virtual/jdk-1.6 - virtual/pkgconfig + ${COMMON_DEPEND} + >=virtual/jdk-1.8:* " - -RESTRICT="mirror" +BDEPEND="virtual/pkgconfig" S="${WORKDIR}"/${PN}/source @@ -39,17 +40,17 @@ pkg_setup() { [[ ${MERGE_TYPE} != binary ]] && tc-check-openmp fortran-2_pkg_setup - java-pkg-opt-2_pkg_setup } src_prepare() { sed 's:strip:true:g' -i ../make/Makefile || die [[ $(tc-getFC) =~ "ifort" ]] && eapply "${FILESDIR}"/${PV}-openmp.patch default + java-pkg-2_src_prepare } src_compile() { - local javalib= + local javalib= _omplib _fftwlib for i in $(java-config -g LDPATH | sed 's|:| |g'); do [[ -f ${i}/libjvm.so ]] && javalib=${i} done @@ -87,6 +88,7 @@ src_compile() { } src_test() { + local test cd "${WORKDIR}"/${PN}/test/ for test in *.run; do einfo "Testing ${test} ..." |